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Sample records for alpha-al2o3 spectroscopic evidence

  1. Fractionation of Suwannee River fulvic acid and aldrich humic acid on alpha-Al2O3: spectroscopic evidence.

    PubMed

    Claret, Francis; Schäfer, Thorsten; Brevet, Julien; Reiller, Pascal E

    2008-12-01

    Sorptive fractionation of Suwannee River Fulvic Acid (SRFA) and Purified Aldrich Humic Acid (PAHA) on alpha-Al2O3 at pH 6 was probed in the supernatant using different spectroscopic techniques. Comparison of dissolved organic carbon (DOC) analysis with UV/vis spectrophotometric measurements at 254 nm, including specific UV absorbance (SUVA) calculation, revealed a decrease in chromophoric compounds for the nonsorbed extracts after a 24 h contact time. This fractionation, only observable below a certain ratio between initial number of sites of humic substances and of alpha-Al2O3, seems to indicate a higher fractionation for PAHA. C(1s) near-edge X-ray absorption fine structure spectroscopy (NEXAFS) confirmed this trend and points to a decrease in phenolic moieties in the supernatant and to an eventual increase in phenolic moieties on the surface. Time-resolved luminescence spectroscopy (TRLS) of Eu(III) as luminescent probe showed a decrease in the ratio between the (5)D0-->(7)F2 and (5)D0-->(7)F1 transitions for the fractionated organic matter (OM) that is thought to be associated with a lower energy transfer from the OM to Eu(III) due to the loss of polar aromatics. These modifications in the supernatant are a hint for the modification of sorbed humic extracts on the surface.

  2. Oxygen diffusion in alpha-Al2O3. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Cawley, J. D.; Halloran, J. W.; Cooper, A. R.

    1984-01-01

    Oxygen self diffusion coefficients were determined in single crystal alpha-Al2O3 using the gas exchange technique. The samples were semi-infinite slabs cut from five different boules with varying background impurities. The diffusion direction was parallel to the c-axis. The tracer profiles were determined by two techniques, single spectrum proton activation and secondary ion mass spectrometry. The SIMS proved to be a more useful tool. The determined diffusion coefficients, which were insensitive to impurity levels and oxygen partial pressure, could be described by D = .00151 exp (-572kJ/RT) sq m/s. The insensitivities are discussed in terms of point defect clustering. Two independent models are consistent with the findings, the first considers the clusters as immobile point defect traps which buffer changes in the defect chemistry. The second considers clusters to be mobile and oxygen diffusion to be intrinsic behavior, the mechanism for oxygen transport involving neutral clusters of Schottky quintuplets.

  3. Catalytic oxidation of elemental mercury over the modified catalyst Mn/alpha-Al2O3 at lower temperatures.

    PubMed

    Li, Jianfeng; Yan, Naiqiang; Qu, Zan; Qiao, Shaohua; Yang, Shijian; Guo, Yongfu; Liu, Ping; Jia, Jinping

    2010-01-01

    In order to facilitate the removal of elemental mercury (Hg(0)) from coal-fired flue gas, catalytic oxidation of Hg(0) with manganese oxides supported on inert alumina (alpha-Al2O3) was investigated at lower temperatures (373-473 K). To improve the catalytic activity and the sulfur-tolerance of the catalysts at lower temperatures, several metal elements were employed as dopants to modify the catalyst of Mn/alpha-Al2O3. The best performance among the tested elements was achieved with molybdenum (Mo) as the dopant in the catalysts. It can work even better than the noble metal catalyst Pd/alpha-Al2O3. Additionally, the Mo doped catalyst displayed excellent sulfur-tolerance performance at lower temperatures, and the catalytic oxidation efficiency for Mo(0.03)-Mn/alpha-Al2O3 was over 95% in the presence of 500 ppm SO2 versus only about 48% for the unmodified catalyst. The apparent catalytic reaction rate constant increased by approximately 5.5 times at 423 K. In addition, the possible mechanisms involved in Hg(0) oxidation and the reaction with the Mo modified catalyst have been discussed.

  4. X-ray and optical crystallographic parameters investigations of high frequency induction melted Al-(alpha-Al(2)O(3)) alloys.

    PubMed

    Bourbia, A; Draissia, M; Bedboudi, H; Boulkhessaim, S; Debili, M Y

    2010-01-01

    This article deals with the microstructural strengthening mechanisms of aluminium by means of hard alpha-Al(2)O(3) alumina fine particles. A broad of understanding views covering materials preparations, elaboration process, characterization techniques and associated microstructural characteristic parameters measurements is given. In order to investigate the microstructural characteristic parameters and the mechanical strengthening mechanisms of pure aluminium by hard fine particles, a set of Al-(alpha-Al(2)O(3)) alloys samples were made under vacuum by high fusion temperature melting, the high frequency (HF) process, and rapidly solidified under ambient temperature from a mixture of cold-compacted high-pure fine Al and alpha-Al(2)O(3) powders. The as-solidified Al-(alpha-Al(2)O(3)) alloys were characterized by means of X-ray diffraction (XRD) analyses, optical microscopy observations and Vickers microhardness tests in both brut and heat-treated states. It was found that the as-solidified HF Al-(alpha-Al(2)O(3)) alloys with compositions below 4 wt.% (alpha-Al(2)O(3)) are single-phase microstructures of the solid solution FCC Al phase and over two-phase microstructures of the solid solution FCC Al and the Rhombohedral alpha-Al(2)O(3) phases. The optical micrographs reveal the presence of a grain size refinement in these alloys. Vickers microhardness of the as-solidified Al-(alpha-Al(2)O(3)) is increased by means of pure fine alpha-Al(2)O(3) alumina particles. These combined effects of strengthening and grain size refinement observed in the as-solidified Al-(alpha-Al(2)O(3)) alloys are essentially due to a strengthening of Al by the alpha-Al(2)O(3) alumina particles insertion in the (HF) melted and rapidly solidified alloys.

  5. Temperature effect on the zeta potential and fluoride adsorption at the alpha-Al2O3/aqueous solution interface.

    PubMed

    López Valdivieso, A; Reyes Bahena, J L; Song, S; Herrera Urbina, R

    2006-06-01

    The effect of temperature and pH on the zeta potential of alpha-Al2O3 and adsorption of fluoride ions at the alpha-Al2O3/aqueous solution interface has been investigated through electrophoretic mobility measurements and adsorption studies, to delineate mechanisms involved in the removal of fluoride ions from water using alumina as adsorbent. When the temperature increases from 10 to 40 degrees C, the pH of the point of zero charge (pH(pzc)) shifts to smaller values, indicating proton desorption from the alumina surface. The pH(pzc) increases linearly with 1/T, which allowed estimation of the standard enthalpy change for the surface-deprotonation process. Fluoride ion adsorption follows a Langmuir-type adsorption isotherm and is affected by the electric charge at the alpha-Al2O3/aqueous solution interface and the surface density of hydroxyl groups. Such adsorption occurs through an exchange between fluoride ions and surface-hydroxyl groups and it depends on temperature, pH, and initial fluoride ion concentration. At 25 and 40 degrees C, maximum fluoride adsorption density takes place between pH 5 and 6. Increasing the temperature from 25 to 40 degrees C lowers the adsorption density of fluoride.

  6. Effect of the theta-alpha-Al2O3 transformation on the oxidation behavior of beta-NiAl+Zr

    NASA Technical Reports Server (NTRS)

    Rybicki, George C.; Smialek, James L.

    1989-01-01

    Isothermal oxidation of NiAl+Zr has been performed over the temperature range of 800-1200 C and studied by TGA, XRD, and SEM. A discontinuous decrease in growth rate of two orders of magnitude was observed at 1000 C due to the formation of alpha-Al2O3 from theta-Al2O3. This transformation also resulted in a dramatic change in the surface morphology of the scales, as a whisker topography was changed into a weblike network of oxide ridges and radial transformation cracks. It is believed that the ridges are evidence for a short-circuit outward aluminum diffusion growth mechanism that has been documented in a number of O-18 tracer studies.

  7. Effect of the theta-alpha-Al2O3 transformation on the oxidation behavior of beta-NiAl+Zr

    NASA Technical Reports Server (NTRS)

    Rybicki, George C.; Smialek, James L.

    1989-01-01

    Isothermal oxidation of NiAl+Zr has been performed over the temperature range of 800-1200 C and studied by TGA, XRD, and SEM. A discontinuous decrease in growth rate of two orders of magnitude was observed at 1000 C due to the formation of alpha-Al2O3 from theta-Al2O3. This transformation also resulted in a dramatic change in the surface morphology of the scales, as a whisker topography was changed into a weblike network of oxide ridges and radial transformation cracks. It is believed that the ridges are evidence for a short-circuit outward aluminum diffusion growth mechanism that has been documented in a number of O-18 tracer studies.

  8. The sunlight OSL response of a commercially available alpha-Al2O3:C personnel dosimetry material.

    PubMed

    West, W G; Kearfott, K J; Bernal, S M

    2006-01-01

    Carbon-doped, anion-defective aluminium oxide has become a widely used and effective medium for personnel dosimetry applications using optically stimulated luminescence (OSL) techniques. Though the commercial products currently using this material employ light-tight packaging to prevent light-induced effects on the OSL signal, the material could be employed in environments where package integrity cannot be assured. This paper reports on the results of an experiment performed to quantify the effects of sunlight exposure on alpha-Al2O3:C. Samples of commercially available Luxel material were exposed to carefully recorded levels of sunlight both before and after irradiations to determine the nature and magnitude of both activation and fading phenomena in this material. The results confirm that both fading and activation processes are seen in this material and indicate that the material reaches an equilibrium dose level in response to prolonged sunlight exposure equivalent to a dose of approximately 15 mGy under the experimental test conditions.

  9. Proactive control of the metal-ceramic interface behavior of thermal barrier coatings using an artificial alpha-Al2O 3 layer

    NASA Astrophysics Data System (ADS)

    Su, Yi-Feng

    The reliability and life of thermal barrier coatings (TBCs) used in the hottest sections of advanced aircraft engines and power generation systems are largely dictated by: (1) the ability of a metallic bond coating to form an adherent thermally grown oxide (TGO) at the metal-ceramic interface and (2) the rate at which the TGO grows upon oxidation. It is postulated that a thin alpha-Al2O3 layer, if it could be directly deposited on a Ni-based alloy, will guide the alloy surface to form a TGO that is more tenacious and slower growing than what is attainable with state-of-the-art bond coatings. A chemical vapor deposition (CVD) process was used to directly deposit an alpha-Al2O3 layer on the surface of a single crystal Ni-bases superalloy. The layer was 150 nm thick, and consisted of small columnar grains (˜100 to 200 nm) with alpha-Al2O 3 as the major phase with a minute amount of theta-Al2O 3. Within 0.5 h of oxidation at 1150°C, the resulting TGO formed on the alloy surface underwent significant lateral grain growth. Consequently, within this time scale, the columnar nature of the TGO became well established. After 50 h, a network of ridges was clearly observed on the TGO surface instead of equiaxed grains typically observed on uncoated alloy surface. Comparison of the TGO morphologies observed with and without the CVD-Al2O 3 layer suggested that the transient oxidation of the alloy surface was considerably reduced. The alloy coated with the CVD-Al2O 3 layer also produced a much more adherent and slow growing TGO in comparison to that formed on the uncoated alloy surface. The CVD-Al2O 3 layer also improved its spallation resistance. Without the CVD-Al 2O3 layer, more than 50% of the TGO spalled off the alloy surface after 500 h in oxidation with significant wrinkling of the TGO that remained on the alloy surface. In contrast, the TGO remained intact with the CVD-Al2O3 layer after the 500 h exposure. Furthermore, the CVD layer significantly reduced the degree of

  10. Vanadium oxides on aluminum oxide supports. 1. Surface termination and reducibility of vanadia films on alpha-Al2O3(0001).

    PubMed

    Todorova, Tanya K; Ganduglia-Pirovano, M Veronica; Sauer, Joachim

    2005-12-15

    Using density functional theory and statistical thermodynamics, we obtained the phase diagram of thin VnOm films of varying thickness (approximately 2-6 A, 1-6 vanadium layers) supported on alpha-Al2O3(0001). Depending on the temperature, oxygen pressure, and vanadium concentration, films with different thickness and termination may form. In ultrahigh vacuum (UHV), at room temperature and for low vanadium concentrations, an ultrathin (1 x 1) O=V-terminated film is most stable. As more vanadium is supplied, the thickest possible films form. Their structures and terminations correspond to previous findings for the (0001) surface of bulk V2O3 [Kresse et al., Surf. Sci. 2004, 555, 118]. The presence of surface vanadyl (O=V) groups is a prevalent feature. They are stable up to at least 800 K in UHV. Vanadyl oxygen atoms induce a V(2p) core-level shift of about 2 eV on the surface V atoms. The reducibility of the supported films is characterized by the energy of oxygen defect formation. For the stable structures, the results vary between 4.11 and 3.59 eV per 1/2O2. In contrast, oxygen removal from the V2O5(001) surface is much easier (1.93 eV). This provides a possible explanation for the lower catalytic activity of vanadium oxides supported on alumina compared to that of crystalline vanadia particles.

  11. Vanadium oxides on aluminum oxide supports. 2. Structure, vibrational properties, and reducibility of V2O5 clusters on alpha-Al2O3(0001).

    PubMed

    Brázdová, Veronika; Ganduglia-Pirovano, M Verónica; Sauer, Joachim

    2005-12-15

    The structure, stability, and vibrational properties of isolated V2O5 clusters on the Al2O3(0001) surface have been studied by density functional theory and statistical thermodynamics. The most stable structure does not possess vanadyl oxygen atoms. The positions of the oxygen atoms are in registry with those of the alumina support, and both vanadium atoms occupy octahedral sites. Another structure with one vanadyl oxygen atom is only 0.12 eV less stable. Infrared spectra are calculated for the two structures. The highest frequency at 922 cm(-1) belongs to a V-O stretch in the V-O-Al interface bonds, which supports the assignment of such a mode to the band observed around 941 cm(-1) for vanadia particles on alumina. Removal of a bridging oxygen atom from the most stable cluster at the V-O-Al interface bond costs 2.79 eV. Removal of a (vanadyl) oxygen atom from a thin vanadia film on alpha-Al2O3 costs 1.3 eV more, but removal from a V2O5(001) single-crystal surface costs 0.9 eV less. Similar to the V2O5(001) surface, the facile reduction is due to substantial structure relaxations that involve formation of an additional V-O-V bond and yield a pair of V(IV)(d1) sites instead of a V(III)(d2)/V(V)(d0) pair.

  12. Morphological and Structural Investigation of the Early Stages of Epitaxial Growth of Alpha-Fe2O3 (0001) on Alpha-Al2O3 (0001) by Oxygen-Plasma-Assisted MBE

    SciTech Connect

    Yi, Sang I.; Liang, Yong ); Thevuthasan, Theva ); Chambers, Scott A. )

    1999-01-01

    We have investigated the early stages of Alpha-Fe2O3 (0001) film growth on Alpha-Al2O3 (0001) using oxygen-plasma-enhanced molecular beam epitaxy along with reflection high-energy electron diffraction, noncontact atomic force microscopy, and x-ray photoelectron spectroscopy and diffraction. A compressionally-strained, fully-stoichiometric Alpha-Fe2O3 film three monolayers thick forms prior to the onset of three-dimensional island formation and lattice relaxation. The surface of this film appears to buckle along <1120>, giving rise to a new set of inwardly-contracted diffraction spots which, if not resolved from the substrate spots, could be interpreted as a 12% in-plane lattice parameter expansion. Such an interpretation has led prior investigator to conclude that the interfacial layer consists of a disordered cation layer with an in-plane lattice parameter {approx}6% larger than that of Alpha-Fe2O3[4]. Our interpretation of the diffraction data suggests that the interfacial layer is badly distorted, but commensurate with the substrate.

  13. First-principles calculations of the adsorption of nitromethane and 1,1-diamino-2,2-dinitroethylene (FOX-7) molecules on the alpha-Al2O3(0001) surface.

    PubMed

    Sorescu, Dan C; Boatz, Jerry A; Thompson, Donald L

    2005-02-03

    First-principles calculations based on density functional theory (DFT) and the generalized gradient approximation (GGA) have been used to study the adsorption of nitromethane (NM) and 1,1-diamino-2,2-dinitroethylene (FOX-7) molecules on the basal plane of an alpha-Al(2)O(3) crystal. The calculations employ a (2 x 2) supercell slab model and 3D periodic boundary conditions. On the basis of these calculations, we have determined that both NM and FOX-7 molecules can adsorb nondissociatively on the surface with the most stable adsorption configurations parallel to the surface. The binding energies are in the range 25.3-26.0 kcal/mol for NM and 35.6-48.3 kcal/mol for FOX-7 depending on the relative molecular orientation and the surface sites. The minimum energy pathways for NM dissociation have been determined, and a low-energy pathway leading to H-atom elimination with formation of adsorbed CH(2)NO(2) and hydroxyl species has been identified. Additional calculations have focused on adsorption properties of aci-nitromethane tautomers and on description of the energetic pathways connecting adsorbed nitromethane molecule with these tautomers.

  14. Oxygen-Permeable, Hydrophobic Membranes of Silanized alpha-Al2O3

    NASA Technical Reports Server (NTRS)

    Atwater, James E.; Akse, James R.

    2006-01-01

    Membranes made of silanized alumina have been prepared and tested as prototypes of derivatized ceramic membranes that are both highly permeable to oxygen and hydrophobic. Improved oxygen-permeable, hydrophobic membranes would be attractive for use in several technological disciplines, including supporting high-temperature aqueousphase oxidation in industrial production of chemicals, oxygenation of aqueous streams for bioreactors, and oxygenation of blood during open-heart surgery and in cases of extreme pulmonary dysfunction. In comparison with organic polymeric oxygen-permeable membranes now commercially available, the derivatized ceramic membranes are more chemically robust, are capable of withstanding higher temperatures, and exhibit higher oxygen-diffusion coefficients.

  15. Radiation damage induced by krypton ions in sintered alpha-Al2O3.

    PubMed

    Dalmasso, C; Iacconi, P; Beauvy, M; Lapraz, D; Balan, E; Calas, G

    2006-01-01

    Alpha-alumina is a useful thermoluminescence (TL) dosemeter. The knowledge of its behaviour under irradiation is thus of primary importance. The purpose of this paper is to characterise the radiation damage produced by swift krypton ions using various experimental methods, namely TL, optical absorption, fluorescence and electron paramagnetic resonance (EPR). After ion irradiation, the TL intensity is shown to decrease, whereas the optical absorption rises in the whole studied wavelength range. These two phenomena seem to be related to one another. Furthermore, optical absorption measurements highlight the appearance of new absorption bands probably owing to oxygen vacancies. Induced defects are also observed in the EPR spectra of irradiated pellets. They are likely related to electronic holes trapped on oxygen ions. The concentration of these defects increases with ion fluence and fluorescence measurements indicate that some pre-existing defects such as F2(2+) centres follow the same trend up to approximately 4.1 x 10(13) ions cm(-2).

  16. Theoretical Investigation of H2 Combustion on alphaAl2O3 Support

    DTIC Science & Technology

    2008-11-01

    We performed barrier calculations using the linear synchronous transit (LST) method of Govind et al. (2003) to extrapolate between the reactant...Surface Relaxation and Termination by Measurements of Crystal Truncation Rods. Surf. Rev. Lett. 1998, 5, 321–324. Govind , N.; Peterson, M...HC DARPA ATTN IXO S WELBY 3701 N FAIRFAX DR ARLINGTON VA 22203-1714 1 CD OFC OF THE SECY OF DEFNS ATTN ODDRE ( R &AT) THE PENTAGON

  17. DFT Study of H2 Combustion on alphaAl2O3 Supported Pt Clusters

    DTIC Science & Technology

    2008-11-01

    originally belonged, (O) Pt directly bound to Al[1] , (P) Pt bridging O[2] , (Q) Pt bridging Al[1] and O[2] , ( R ) Pt directly bound to O[2] , (S) 90o...at sites 0, (4, 16, 14, 5, 6, 9, 10, 13, 15), (3, 7, 11), and (1, 2, 12) are portrayed in figure 4 as structures O, P, Q, and R , respectively...the surface diffusion of O towards the catalytically active Pt particle using the linear synchronous transit (LST) method of Govind et al. (2003) to

  18. Theoretical Investigation of H2 Combustion on alpha-Al2O3 Support

    DTIC Science & Technology

    2008-12-01

    barrier calculations using the linear synchronous transit (LST) method of Govind et al, 2003 to extrapolate between reactant and product structures...Crystal Truncation Rods, Surf. Rev. Lett., 5, 321- 324. Govind , N., Peterson, M., Fitzgerald, G., King-Smith, D., and Andzelm, J., 2003: A

  19. Boundary migration and disappearance of voids in Alpha-Al2O3 at 2000 deg C

    NASA Technical Reports Server (NTRS)

    Komatsu, M.; Fujita, H.

    1984-01-01

    A series of photographs taken with Osaka University's high temperature 3MV electron microscope of alpha-A1(z)O(3) at 2000 C is presented. The dynamic study shows grain boundary migration in progress and demonstrates that disappearance of voids is controlled by boundary migration.

  20. Spectroscopic Evidence for Titan Surface Materials

    NASA Astrophysics Data System (ADS)

    McCord, T. B.; Hayne, P.; Combe, J.; Hansen, G. B.

    2008-12-01

    We have been systematically searching for spectroscopic evidence to identify surface materials remotely using data from the Cassini Visual and IR Mapping Spectrometer (VIMS) [McCord et al., Pl. and Sp. Sci., 54, 2006; McCord et al., Icarus, 194, 2008]. The Titan atmosphere allows viewing of the surface only in a few narrow spectral windows in the near IR due to methane absorptions, and atmospheric particulate scattering affects even these windows. We so far have found one weak absorption near 4.92 μm for a few regions (e.g. Tui Regio and Hotei Regio) that also have anomalous brightness in the 5 microns and contrast across the 2.8-μm windows. This evidence seems consistent with at least two materials, fine- grained CO2 frost and cyanoacetylene, HC3N, and is not consistent with some other materials proposed for Titan's surface. Further, we are able to model and map the entire Titan surface viewed by VIMS using all methane windows and spectral unmixing analysis methods, with only a few spectral end-member components, which include water ice, CO2 frost, a model of aerosol scattering and an unknown material bright at 2 microns. A neutral dark material may also be present. We continue this effort with each new VIMS data set and summarize here on our latest findings.

  1. Spectroscopic Evidence for Nonuniform Starspot Properties on II Pegasi

    NASA Technical Reports Server (NTRS)

    ONeal, Douglas; Saar, Steven H.; Neff, James E.

    1998-01-01

    We present spectroscopic evidence for Multiple Spot temperatures on the RS CVn star II Pegasi (HD 224085). We model the strengths of the 7055 and 8860 A TiO absorption bands in the spectrum of II Peg using weighted sums of inactive comparison spectra: a K star to represent the nonspotted photosphere and an M star to represent the spots. The best fit yields independent measurements of the starspot filling factor (f(sub s) and mean spot temperature (T(sub s)) averaged over the visible hemisphere of the star. During three-fourths of a rotation of II Peg in late 1996, we measure a constant f(sub s) approximately equals 55% +/- 5%. However, (T(sub s) varies from 3350 +/- 60 to 3550 +/- 70 K. We compute (T(sub s) for two simple models: (1) a star with two distinct spot temperatures, and (2) a star with different umbral/penumbral area ratios. The changing (T(sub s) correlates with emission strengths of H(alpha) and the Ca II infrared triplet in the sense that cooler (T(sub s) accompanies weaker emission. We explore possible implications of these results for the physical properties of the spots on II Peg and for stellar surface structure in general.

  2. Infrared Spectroscopic Imaging of Latent Fingerprints and Associated Forensic Evidence

    PubMed Central

    Chen, Tsoching; Schultz, Zachary D.; Levin, Ira W.

    2011-01-01

    Fingerprints reflecting a specific chemical history, such as exposure to explosives, are clearly distinguished from overlapping, and interfering latent fingerprints using infrared spectroscopic imaging techniques and multivariate analysis. PMID:19684917

  3. Spectroscopic evidence for Davydov-like solitons in acetanilide

    NASA Astrophysics Data System (ADS)

    Careri, G.; Buontempo, U.; Galluzzi, F.; Scott, A. C.; Gratton, E.; Shyamsunder, E.

    1984-10-01

    Detailed measurements of infrared absorption and Raman scattering on crystalline acetanilide [(CH3CONHC6H5)x] at low temperature show a new band close to the conventional amide I band. Equilibrium properties and spectroscopic data rule out explanations based on a conventional assignment, crystal defects, Fermi resonance, and upon frozen kinetics between two different subsystems. Thus we cannot account for this band using the concepts of conventional molecular spectroscopy, but a soliton model, similar to that proposed by Davydov for α-helix in protein, is in satisfactory agreement with the experimental data.

  4. Heterogeneous uptake of ozone on reactive components of mineral dust aerosol: an environmental aerosol reaction chamber study.

    PubMed

    Mogili, Praveen K; Kleiber, Paul D; Young, Mark A; Grassian, Vicki H

    2006-12-28

    We have undertaken a kinetic study of heterogeneous ozone decomposition on alpha-Fe2O3 (hematite) and alpha-Al2O3 (corundum) aerosols under ambient conditions of temperature, pressure, and relative humidity in order to better understand the role of mineral dust aerosol in ozone loss mechanisms in the atmosphere. The kinetic measurements are made in an environmental aerosol reaction chamber by use of infrared and ultraviolet spectroscopic probes. The apparent heterogeneous uptake coefficient, gamma, for ozone reaction with alpha-Fe2O3 and alpha-Al2O3 surfaces is determined as a function of relative humidity (RH). The uptake of ozone by the iron oxide surface is approximately an order of magnitude larger than that by the aluminum oxide sample, under dry conditions. At the pressures used, alpha-Fe2O3 shows clear evidence for catalytic decomposition of ozone while alpha-Al2O3 appears to saturate at a finite ozone coverage. The measured uptake for both minerals decreases markedly as the RH is increased. Comparison with other literature reports and the atmospheric implications of these results are discussed.

  5. Spectroscopic Characterization of Mineralogy Across Vesta: Evidence of Different Lithologies

    NASA Technical Reports Server (NTRS)

    De Sanotis, M. C.; Ammannito, E.; Filacchione, G.; Capria, M. T.; Tosi, F.; Capaccioni, F.; Zambon, F.; Carraro, F.; Fonte, S.; Frigeri, A.; Jaumann, R.; Magni, G.; Marchi, S.; McCord, T. B.; McFadden, L. A.; McSween, H. Y.; Mittlefehldt, D. W.; Nathues, A.; Palomba, E.; Pieters, C. M.; Raymond, C. A.; Russell, C. T.; Turrini, D.

    2012-01-01

    The average spectrum of Vesta, obtained by VIR in the range 0.25-5.1 microns, shows clear evidence of absorption bands due to pyroxenes and thermal emissions beyond 3.5 11m. Vesta shows considerable variability across its surface in terms of spectral reflectance and emission, band depths, bands widths and bands centers, reflecting a complex geological history. Vesta's average spectrum and inferred mineralogy resemble those of howardite meteorites. On a regional scale, significant deviations are seen: the south polar 500km Rheasilvia impact crater has a higher diogenitic component, and equatorial regions show a higher eucritic component. This lithologic distribution, with a concentration of Mg-pyroxenes in the Rheasilvia area, reinforces the hypothesis of a deeper diogenitic crust excavated by the impact that formed the Rheasilvia crater, and an upper eucritic crust, whose remnants are seen in the equatorial region. This scenario has implications for Vesta differentiation, consistent with magma ocean models. However, serial magmatism models could also have concentrated pyroxene cumulates in plutons emplaced within the lower crust,

  6. Spectroscopic evidence of jet-cooled o-chloro-alpha-methylbenzyl radical in corona excitation.

    PubMed

    Ahn, Hyeon Geun; Lee, Gi Woo; Lee, Sang Kuk

    2008-12-25

    We report the first spectroscopic evidence of the o-chloro-alpha-methylbenzyl radical. The electronically hot but jet-cooled o-chloro-alpha-methylbenzyl radical was formed from precursor o-chloro-ethylbenzene seeded in a large amount of inert carrier gas helium, by employing the technique of corona excited supersonic expansion with a pinhole-type glass nozzle. The vibronic emission spectrum was recorded with a long path monochromator in the D(1) --> D(0) electronic transition in the visible region. By comparing the observed spectrum with that of the o-chlorobenzyl radical reported previously, we could easily identify the spectroscopic evidence of the jet-cooled o-chloro-alpha-methylbenzyl radical generated in the corona discharge of o-chloro-ethylbenzene, from which the electronic transition energy and several vibrational mode frequencies in the ground electronic state were accurately determined.

  7. Spectroscopic evidence of α-methylbenzyl radical in the gas phase

    NASA Astrophysics Data System (ADS)

    Lee, Gi Woo; Ahn, Hyeon Geun; Kim, Tae Kyu; Lee, Sang Kuk

    2008-11-01

    We report the observation of the spectroscopic evidence of the α-methylbenzyl radical in a corona excited supersonic expansion using a pinhole-type glass nozzle for the first time. The precursors, toluene, ethylbenzene, and isopropylbenzene, seeded in a large amount of inert carrier gas helium, were electrically discharged to produce benzyl-type radicals as a result of the breaking off of a C-H or a C-C bond from the alkyl chain. The vibronic emission spectra, obtained in the visible region from the precursors, were compared to identify the species generated in the corona discharge of the precursors, from which we found the spectroscopic evidence of the α-methylbenzyl radical.

  8. Spectroscopic evidence of α,α-dimethylbenzyl radicals in the gas phase

    NASA Astrophysics Data System (ADS)

    Chae, Sang Youl; Lim, Manho; Lee, Sang Kuk

    2016-11-01

    We report the spectroscopic evidence of the jet-cooled α,α-dimethylbenzyl radical, which was generated in a technique of corona excited supersonic expansion using a pinhole-type glass nozzle. For identification of the α,α-dimethylbenzyl radical, precursors that form a common molecular radical, as a result of dissociation of either a Csbnd H bond or Csbnd C bond of alkyl group in a corona discharge, were employed. Based on comparisons of the spectra observed from the corona discharges of isopropylbenzene and tert-butylbenzene, evidence was obtained of the existence of the α,α-dimethylbenzyl radical in the gas phase.

  9. The Variability of the BRITE-est Wolf-Rayet star gamma Velorum. Photometric and Spectroscopic Evidence of Colliding Winds.

    NASA Astrophysics Data System (ADS)

    Richardson, Noel; St-Jean, Lucas; Moffat, Anthony F. J.; St. Louis, Nicole; Post Russell, Christopher Michael; Shenar, Tomer; Pablo, Herbert; Hill, Grant M.; Ramiaramanantsoa, Tahina; Hamaguchi, Kenji; Corcoran, Michael F.

    2017-01-01

    We report on the first results of an intensive photometric and spectroscopic campaign on the bright WC+O binary, gamma Velorum. The system was observed with two-color photometry with the BRITE-Constellation nanosatellites for six months, while we collected ~500 optical spectra in parallel from ground-based observatories. We report on the spectroscopic orbit and the evidence of colliding winds, both spectroscopically and photometrically. We find evidence of an inverse relationship between the orbital separation and the observed flux. Through a comparison with multiple spectra and the red/blue filter responses, we find that the flux excess seen photometrically is caused by the excess line emission at periastron. We have begun to quantify these variations and will compare them with smoothed-particle hydrodynamics simulations. We will further constrain these processes using XMM-Newton X-ray spectroscopy that will be obtained in late-2016 in parallel with further optical photometric and spectroscopic observations.

  10. Combined influence of ectoine and salt: spectroscopic and numerical evidence for compensating effects on aqueous solutions.

    PubMed

    Hahn, Marc Benjamin; Uhlig, Frank; Solomun, Tihomir; Smiatek, Jens; Sturm, Heinz

    2016-10-19

    Ectoine is an important osmolyte, which allows microorganisms to survive in extreme environmental salinity. The hygroscopic effects of ectoine in pure water can be explained by a strong water binding behavior whereas a study on the effects of ectoine in salty solution is yet missing. We provide Raman spectroscopic evidence that the influence of ectoine and NaCl are opposing and completely independent of each other. The effect can be explained by the formation of strongly hydrogen-bonded water molecules around ectoine which compensate the influence of the salt on the water dynamics. The mechanism is corroborated by first principles calculations and broadens our understanding of zwitterionic osmolytes in aqueous solution. Our findings allow us to provide a possible explanation for the relatively high osmolyte concentrations in halotolerant bacteria.

  11. Spectroscopic evidence of jet-cooled p-methyl-α-methylbenzyl radical

    NASA Astrophysics Data System (ADS)

    Chae, Sang Youl; Yoon, Young Wook; Lim, Manho; Lee, Sang Kuk

    2015-08-01

    We report spectroscopic evidence of the jet-cooled p-methyl-α-methylbenzyl radical in corona discharge. The visible vibronic emission spectra were recorded from the corona discharge of three precursors, p-xylene, p-ethyltoluene, and p-isopropyltoluene seeded in a large amount of carrier gas helium using a pinhole-type glass nozzle. From the analysis of the vibronic spectra observed from each precursor and the bond dissociation energies of precursor molecules, we are able to confirm the formation of the jet-cooled p-methyl-α-methylbenzyl radical in corona discharge, and determine the energy of the D1 → D0 transition and a few vibrational mode frequencies in the D0 state.

  12. Spectroscopic evidence for intermediate species formed during aniline polymerization and polyaniline degradation.

    PubMed

    Planes, G A; Rodríguez, J L; Miras, M C; García, G; Pastor, E; Barbero, C A

    2010-09-21

    Spectroscopic methods are used to investigate the formation of low molecular mass intermediates during aniline (ANI) oxidation and polyaniline (PANI) degradation. Studying ANI anodic oxidation by in situ Fourier transform infrared spectroscopy (FTIRS) it is possible to obtain, for the first time, spectroscopic evidence for ANI dimers produced by head-to-tail (4-aminodiphenylamine, 4ADA) and tail-to-tail (benzidine, BZ) coupling of ANI cation radicals. The 4ADA dimer is adsorbed on the electrode surface during polymerization, as proved by cyclic voltammetry of thin PANI films and its infrared spectrum. This method also allows, with the help of computational simulations, to assign characteristic vibration frequencies for the different oxidation states of PANI. The presence of 4ADA retained inside thin polymer layers is established too. On the other hand, FTIRS demonstrates that the electrochemically promoted degradation of PANI renders p-benzoquinone as its main product. This compound, retained inside the film, is apparent in the cyclic voltammogram in the same potential region previously observed for 4ADA dimer. Therefore, applying in situ FTIRS is possible to distinguish between different chemical species (4ADA or p-benzoquinone) which give rise to voltammetric peaks in the same potential region. Indophenol and CO(2) are also detected by FTIRS during ANI oxidation and polymer degradation. The formation of CO(2) during degradation is confirmed by differential electrochemical mass spectroscopy. To the best of our knowledge, this is the first evidence of the oxidation of a conducting polymer to CO(2) by electrochemical means. The relevance of the production of different intermediate species towards PANI fabrication and applications is discussed.

  13. 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. Crown Copyright © 2014. Published by Elsevier Ireland Ltd. All rights reserved.

  14. Oligomerization in As (III) sulfide solutions: Theoretical constraints and spectroscopic evidence

    NASA Astrophysics Data System (ADS)

    Helz, George R.; Tossell, John A.; Charnock, John M.; Pattrick, Richard A. D.; Vaughan, David J.; David Garner, C.

    1995-11-01

    Bond distances, vibrational frequencies, gas-phase energetics, and proton affinities for various thioarsenite molecules and ions are predicted from molecular orbital theory and used to interpret EXAFS and Raman spectra of dissolved thioarsenites in undersaturated, alkaline 1 M NaHS solutions. From MO predictions, Raman peaks at 325 and 412 cm - are assigned to AsS(SH) 2- and a peak at 382 cm - to AsS 2(SH) 2- At alkaline pH, As-S distances in dissolved thioarsenites are 2.21-2.23 Å and no statistically significant As-As interactions are recorded, consistent with predominance of the monomers, AsS(SH) 2- and AsS 2(SH ) 2-. Estimated proton affinities suggest that thioarsenites with a negative charge greater than 2 are unstable in water. In seeming contradiction to this spectroscopic evidence, a new analysis of published solubility studies reinforces previous inferences that the trimer, As 3S 4(SH) 2-, is the predominant thioarsenite in systems saturated with As 2S 3. Previously proposed dimeric species of the form, H xAs2S 4x- , are rejected based on predicted thermodynamic properties. Dimer plus tetramer combinations also are rejected. Estimated free energies for AsS (OH)(SH) - and AsS(SH) 2- are presented. We reconcile the spectroscopic and solubility evidence by showing that in undersaturated solutions monomers can become thermodynamically favored over oligomers. This pattern should be looked for in other sulfide systems as well. Sulfidic natural waters are in many cases undersaturated with respect to AS 2S 3 phases, so monomeric thioarsenites could be more important in nature than the trimers that have been characterized in saturated solutions. EXAFS spectra show that amorphous AS 2S 3 resembles orpiment in the first shell around As, but that higher shells are disordered. Disorder may be caused by occasional realgar-like, As-As bonds, consistent with the observation that amorphous AS 2S 3 is slightly S deficient.

  15. Spectroscopic Evidence of Alfvén Wave Damping in the Off-limb Solar Corona

    NASA Astrophysics Data System (ADS)

    Gupta, G. R.

    2017-02-01

    We investigate the off-limb active-region and quiet-Sun corona using spectroscopic data. The active region is clearly visible in several spectral lines formed in the temperature range of 1.1-2.8 MK. We derive the electron number density using the line ratio method, and the nonthermal velocity in the off-limb region up to the distance of 140 Mm. We compare density scale heights derived from several spectral line pairs with expected scale heights per the hydrostatic equilibrium model. Using several isolated and unblended spectral line profiles, we estimate nonthermal velocities in the active region and quiet Sun. Nonthermal velocities obtained from warm lines in the active region first show an increase and then later either a decrease or remain almost constant with height in the far off-limb region, whereas nonthermal velocities obtained from hot lines show consistent decrease. However, in the quiet-Sun region, nonthermal velocities obtained from various spectral lines show either a gradual decrease or remain almost constant with height. Using these obtained parameters, we further calculate Alfvén wave energy flux in both active and quiet-Sun regions. We find a significant decrease in wave energy fluxes with height, and hence provide evidence of Alfvén wave damping. Furthermore, we derive damping lengths of Alfvén waves in the both regions and find them to be in the range of 25-170 Mm. Different damping lengths obtained at different temperatures may be explained as either possible temperature-dependent damping or by measurements obtained in different coronal structures formed at different temperatures along the line of sight. Temperature-dependent damping may suggest some role of thermal conduction in the damping of Alfvén waves in the lower corona.

  16. Infrared Spectroscopic Evidence of Surface Speciation of Amino Acids on Titanium Dioxide

    NASA Astrophysics Data System (ADS)

    Jonsson, C. M.; Jonsson, C. L.; Parikh, S. J.; Sverjensky, D. A.; Cleaves, H. J.; Hazen, R. M.

    2008-12-01

    investigation of Glu and Asp interactions with the rutile surface using potentiometric titrations, adsorption experiments and FTIR spectroscopy. The spectroscopic evidence integrated with quantitative adsorption data and potentiometric titration data are used to describe the adsorption with surface complexation models. [1] Roddick-Lanzilotta A.D. and McQuillan A.J. (2000) J. Colloid & Interface Sci. 227, 48-54.

  17. An Optical Spectroscopic Survey of the Serpens Main Cluster: Evidence for Two Populations?

    NASA Astrophysics Data System (ADS)

    Erickson, Kristen L.; Wilking, Bruce A.; Meyer, Michael R.; Kim, Jinyoung Serena; Sherry, William; Freeman, Matthew

    2015-03-01

    We have completed an optical spectroscopic survey of a sample of candidate young stars in the Serpens Main star-forming region selected from deep B, V, and R band images. While infrared, X-ray, and optical surveys of the cloud have identified many young stellar objects (YSOs), these surveys have been biased toward particular stages of pre-main sequence evolution. We have obtained over 700 moderate resolution optical spectra that, when combined with published data, have led to the identification of 63 association members based on the presence of Hα in emission, lithium absorption, X-ray emission, a mid-infrared excess, and/or reflection nebulosity. Twelve YSOs are identified based on the presence of lithium absorption alone. An additional 16 objects are classified as possible association members and their pre-main sequence nature is in need of confirmation. Spectral types along with V and R band photometry were used to derive effective temperatures and bolometric luminosities for association members to compare with theoretical tracks and isochrones for pre-main sequence stars. An average age of 2 Myr is derived for this population. When compared to simulations, there is no obvious evidence for an age spread when considering the major sources of uncertainties in the derived luminosities. However when compared to the young cluster in Ophiuchus, the association members in Serpens appear to have a larger spread in luminosities and hence ages which could be intrinsic to the region or the result of a foreground population of YSOs associated with the Aquila Rift. Modeling of the spectral energy distributions from optical through mid-infrared wavelengths has revealed three new transition disk objects, making a total of six in the cluster. Echelle spectra for a subset of these sources enabled estimates of v sin i for seven association members. Analysis of gravity-sensitive lines in the echelle and moderate resolution spectra of the association members indicate surface

  18. Spectroscopic Evidence for Room Temperature Interaction of Molecular Oxygen with Cobalt Porphyrin Linker Sites within a Metal-Organic Framework.

    PubMed

    Lahanas, Nicole; Kucheryavy, Pavel; Lockard, Jenny V

    2016-10-17

    Metalloporphyrin-based metal-organic frameworks offer a promising platform for developing solid-state porous materials with accessible, coordinatively unsaturated metal sites. Probing small-molecule interactions at the metalloporphyrin sites within these materials on a molecular level under ambient conditions is crucial for both understanding and ultimately harnessing this functionality for potential catalytic purposes. Co-PCN-222, a metal-organic framework based on cobalt(II) porphyrin linkers. is investigated using in situ UV-vis diffuse-reflectance and X-ray absorption spectroscopy. Spectroscopic evidence for the axial interaction of diatomic oxygen with the framework's open metalloporphyrin sites at room temperature is presented and discussed.

  19. Spectroscopic Evidence for Clusters of Like-Charged Ions in Ionic Liquids Stabilized by Cooperative Hydrogen Bonding.

    PubMed

    Knorr, Anne; Stange, Peter; Fumino, Koichi; Weinhold, Frank; Ludwig, Ralf

    2016-02-16

    Direct spectroscopic evidence for hydrogen-bonded clusters of like-charged ions is reported for ionic liquids. The measured infrared O-H vibrational bands of the hydroxyethyl groups in the cations can be assigned to the dispersion-corrected DFT calculated frequencies of linear and cyclic clusters. Compensating the like-charge Coulomb repulsion, these cationic clusters can range up to cyclic tetramers resembling molecular clusters of water and alcohols. These ionic clusters are mainly present at low temperature and show strong cooperative effects in hydrogen bonding. DFT-D3 calculations of the pure multiply charged clusters suggest that the attractive hydrogen bonds can compete with repulsive Coulomb forces.

  20. Fluorescence spectroscopic evidence for hydrogen bonding and deprotonation equilibrium between fluoride and a thiourea derivative.

    PubMed

    Ashokkumar, Pichandi; Ramakrishnan, Vayalakkavoor T; Ramamurthy, Perumal

    2010-11-22

    Interaction of anions with thiourea-linked acridinedione fluorophore was studied by absorption, (1)H NMR, steady-state and time-resolved fluorescence techniques. Addition of AcO(-) and H(2)PO(4)(-) shows a genuine H-bonded complex with thiourea receptor; whereas, F(-) shows stepwise H-bonding and deprotonation of thiourea NH as confirmed by (1)H NMR titration. Free receptor 1 shows emission maximum at 418 nm; whereas, H-bonded complex of 1·F(-) shows a new redshifted emission maximum at 473 nm and the deprotonated 1 exhibits an emission peak at 502 nm. Presence of these three different emitting species was probed by 3D emission spectroscopic studies. Equilibrium between the free receptor 1, 1·F(-) H-bonded complex and deprotonated 1 was confirmed by time-resolved fluorescence studies. Time-resolved area normalised emission spectra (TRANES) of 1 in the presence of F(-) shows two isoemissive points at 456 and 479 nm between time delays of 0-0.5 ns and 1-20 ns, respectively, due to the existence of three emitting species in equilibrium. Observation of such an equilibrium based on fluorescence spectroscopic studies further proves the earlier reported absorption and (1)H NMR spectroscopic studies of H-bonding and deprotonation processes and also illustrates the dynamics of anion-receptor interactions.

  1. Infrared and Raman spectroscopic studies on alkali borate glasses: evidence of mixed alkali effect.

    PubMed

    Padmaja, G; Kistaiah, P

    2009-03-19

    A lithium-potassium-borate glass system containing manganese and iron cations has been thoroughly investigated in order to obtain information about the mixed alkali effect and the structural role of both the manganese and iron in such glass hosts. Mixed alkali borate glasses of the (30 - x)Li(2)O - xK(2)O - 10CdO/ZnO - 59B(2)O(3) (x = 0, 10, 15, 20, and 30) doped with 1MnO(2)/1Fe(2)O(3) system were prepared by a melt quench technique. The amorphous phase of the prepared glass samples was confirmed from their X-ray diffraction. The spectroscopic properties of glass samples were studied using infrared (IR) and Raman spectroscopic techniques. The density of all the prepared glasses was measured using Archimedes principle. Molar volumes were estimated from the density data. IR spectra of these glasses revealed a dramatic variation of three- and four-coordinated boron structures as a function of mixed alkali concentration. The vibrations due to Li-O, K-O, and MnO(4)/FeO(4) arrangements are consistent in all the compositions and show a nonlinear variation in the intensity with alkali content. Raman spectra of different alkali combinations with CdO and ZnO present drastic changes in the intensity of various Raman bands. The observation of disappearance and reappearance of IR and Raman bands as a function of various alkali concentrations is an important result pertaining to the mixed alkali effect in borate glasses. Acting as complementary spectroscopic techniques, both types of measurements, IR and Raman, revealed that the network structure of the studied glasses is mainly based on BO(3) and BO(4) units placed in different structural groups, the BO(3) units being dominant. The measured IR and Raman spectra of different glasses are used to clarify the optical properties of the present glasses correlating them with their structure and composition.

  2. Spectroscopic evidence of α,α-dichlorobenzyl radical produced by corona discharge of benzotrichloride

    NASA Astrophysics Data System (ADS)

    Yoon, Young Wook; Chae, Sang Youl; Lim, Manho; Lee, Sang Kuk

    2015-08-01

    We report spectroscopic observations of the α,α-dichlorobenzyl radical obtained by corona excited supersonic jet expansion using a pinhole-type glass nozzle. Vibronically excited but jet-cooled radicals were generated by corona discharge of the precursor benzotrichloride with a large amount of helium carrier gas, from which the visible vibronic emission spectrum was recorded using a long path monochromator. From an analysis of the spectrum observed, the electronic energy of the D1 → D0 transition and a few vibrational mode frequencies in the ground electronic state were obtained for the α,α-dichlorobenzyl radical by comparing observed frequencies with those obtained by ab initio calculation.

  3. SPECTROSCOPIC EVIDENCE FOR SN 2010ma ASSOCIATED WITH GRB 101219B

    SciTech Connect

    Sparre, M.; Fynbo, J. P. U.; Malesani, D.; De Ugarte Postigo, A.; Hjorth, J.; Leloudas, G.; Milvang-Jensen, B.; Watson, D. J.; Sollerman, J.; Goldoni, P.; Covino, S.; Tagliaferri, G.; D'Elia, V.; Flores, H.; Hammer, F.; Jakobsson, P.; Schulze, S.; Kaper, L.; Levan, A. J.; Tanvir, N. R.

    2011-07-01

    We report on the spectroscopic detection of supernova SN 2010ma associated with the long gamma-ray burst GRB 101219B. We observed the optical counterpart of the GRB on three nights with the X-shooter spectrograph at the Very Large Telescope. From weak absorption lines, we measure a redshift of z = 0.55. The first-epoch UV-near-infrared afterglow spectrum, taken 11.6 hr after the burst, is well fit by a power law consistent with the slope of the X-ray spectrum. The second- and third-epoch spectra (obtained 16.4 and 36.7 days after the burst), however, display clear bumps closely resembling those of the broad-lined type-Ic SN 1998bw if placed at z = 0.55. Apart from demonstrating that spectroscopic SN signatures can be observed for GRBs at these large distances, our discovery makes a step forward in establishing a general connection between GRBs and SNe. In fact, unlike most previous unambiguous GRB-associated SNe, GRB 101219B has a large gamma-ray energy (E{sub iso} = 4.2 x 10{sup 51} erg), a bright afterglow, and obeys the 'Amati' relation, thus being fully consistent with the cosmological population of GRBs.

  4. Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties

    NASA Astrophysics Data System (ADS)

    Prampolini, Giacomo; Monti, Susanna; De Mitri, Nicola; Barone, Vincenzo

    2014-05-01

    molecules between the two zones and a significant modulation of the flexibility and mobility of the dye. Very similar trends were found for the same g (r) computed in the GS. For this latter state, the impact on the distribution of the values adopted by the δ1 dihedral angle, which defines the orientation of the naphthalene ring in relation to the carboxyl group (Figure 4), is evident in the right panel of Figure 1: in toluene solution there are two distinct peaks centered around 0° and ±180°, meaning that two planar conformations are equally probable. Instead, inside the polymer only the δ1≈0° conformer is populated, confirming that the initial orientation of this portion of the probe is preserved by the hindering action of the close polymer chains which prevent a complete rotation of the naphthoyloxy group. The same constraining was also found in the EES, though less evident because of a decreased flexibility of the δ1 torsion.In order to support this view, the effect on dye’s flexibility of the intermolecular interactions of the latter with the polymer bundle was checked and compared with the one due to the dye-solvent interactions established in toluene solution. This was accomplished through a mean field descriptor which was connected to the torsional degrees of freedom, as detailed in the Supporting Information. In this particular case it was interesting to examine the specific behavior of the δ1 dihedral angle. The resulting mean field W (δ1) in the polymer and in toluene solution, displayed in Figure 2, presents a marked difference between the two surrounding media with toluene leading to a nearly vanishing and flatter W(δ1). It is also worth noticing that the entanglement of the polymer around the dye creates a supplementary well, centered at about δ1 = 0, that constrains this angle to librate within a limited interval rather than exploring the complete range of values.Further proofs of the existence of a tight and stable cleft and its constraining

  5. Spectroscopic evidence of the marine origin of mucilages in the Northern Adriatic Sea.

    PubMed

    Berto, Daniela; Giani, Michele; Taddei, Paola; Bottura, Giorgio

    2005-12-15

    Vibrational Fourier transform infrared (FTIR) and UV-Visible spectroscopies coupled to thermogravimetry were used to characterise the gelatinous aggregates as well as the humin and humic fractions extracted from the aggregates. Spectroscopic analysis made it possible to identify the main classes of compounds present in the samples. The FTIR spectra of the aggregates showed the presence of carbohydrates, saturated aliphatic compounds, aminic, esteric, amidic (proteins) and ketonic compounds, organic and inorganic phosphates, silica and, in some cases, carbonates. The FTIR spectra of humin and humic acids showed functional groups similar to those found in the spectra of the aggregates. The high aliphatic character and the absence of aromatic compounds observed in many aggregates sampled far from estuarine areas suggest the marine origin of mucilages. These results were also confirmed by the 270/407 nm (A2/A4) and 465/665 nm (E4/E6) absorbance ratio in humic acids.

  6. Spectroscopic Evidence for SN 2010ma Associated with GRB 101219B

    NASA Astrophysics Data System (ADS)

    Sparre, M.; Sollerman, J.; Fynbo, J. P. U.; Malesani, D.; Goldoni, P.; de Ugarte Postigo, A.; Covino, S.; D'Elia, V.; Flores, H.; Hammer, F.; Hjorth, J.; Jakobsson, P.; Kaper, L.; Leloudas, G.; Levan, A. J.; Milvang-Jensen, B.; Schulze, S.; Tagliaferri, G.; Tanvir, N. R.; Watson, D. J.; Wiersema, K.; Wijers, R. A. M. J.

    2011-07-01

    We report on the spectroscopic detection of supernova SN 2010ma associated with the long gamma-ray burst GRB 101219B. We observed the optical counterpart of the GRB on three nights with the X-shooter spectrograph at the Very Large Telescope. From weak absorption lines, we measure a redshift of z = 0.55. The first-epoch UV-near-infrared afterglow spectrum, taken 11.6 hr after the burst, is well fit by a power law consistent with the slope of the X-ray spectrum. The second- and third-epoch spectra (obtained 16.4 and 36.7 days after the burst), however, display clear bumps closely resembling those of the broad-lined type-Ic SN 1998bw if placed at z = 0.55. Apart from demonstrating that spectroscopic SN signatures can be observed for GRBs at these large distances, our discovery makes a step forward in establishing a general connection between GRBs and SNe. In fact, unlike most previous unambiguous GRB-associated SNe, GRB 101219B has a large gamma-ray energy (E iso = 4.2 × 1051 erg), a bright afterglow, and obeys the "Amati" relation, thus being fully consistent with the cosmological population of GRBs. Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere, Chile, under program 086.A-0073(B). Also based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the Science and Technology Facilities Council (United Kingdom), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministério da Ciência e Tecnologia (Brazil), and Ministerio de Ciencia, Tecnología e Innovacón Productiva (Argentina).

  7. Spectroscopic Evidence of Sporadic Gas Accretion onto the Herbig AE Stars with Non-Periodic Algol-Type Minima

    NASA Astrophysics Data System (ADS)

    Kozlova, O. V.; Grinin, V. P.; Rostopchina, A. N.

    We present the results of simultaneous spectroscopic and photometric observations for six isolated Herbig Ae stars with non-periodic Algol-like minima: UX Ori, BF Ori, CQ Tau, SV Cep, VX Gas, and WW Vul. In all cases the Ha line has the profile typical for axially symmetric accretion. In the spectra of five stars (CQ Tau is the exception) the strong He I 5876 Å line has been observed in absorption which is not typical of normal A stars. In three cases: UX Ori, VX Cas, and WW Vul, variability of this line is found. We did not observe any correlation between the strength of this line and the brightness of the stars. These observational facts are considered as evidence for gas accretion, which is probably an important property of young stars with non-periodic Algol-type minima.

  8. Formation of spectral lines in a planetary atmosphere. II - Spectroscopic evidence for the structure of the visible Venus clouds.

    NASA Technical Reports Server (NTRS)

    Hunt, G. E.

    1972-01-01

    We demonstrate in this article that there is spectroscopic evidence for the structure of the visible Venus cloud layers. From physically realistic models of the lower Venus atmosphere, we have shown that only observations of the phase variations of the CO2 bands in the Venus spectrum can provide the information for a unique identification of the structure of the cloud layers. It is proved that Venus cannot have a single dense cloud layer, but must have two scattering layers; a thin aerosol layer situated in the lower stratosphere, overlying a dense cloud deck. The aerosol plays an important role in the scattering of radiation, so that its identification provides an explanation of the reflecting layer-scattering model controversy for the interpretation of spectra formed in a cloudy planetary atmosphere.

  9. Studies on the inclusion behavior of 9-Aminoacridine into cyclodextrins: Spectroscopic and theoretical evidences

    NASA Astrophysics Data System (ADS)

    Manivannan, C.; Vijay Solomon, R.; Venuvanalingam, P.; Renganathan, R.

    2013-02-01

    9-Aminoacridine (9-AA) is an important attractive pharmaceutical drug employed as chemotheraptic agent for wound dressings. However, 9-AA possesses limited solubility and rapid metabolic decomposition renders this potential drug to limit its applications. Here we propose cyclodextrins (CDs) as a drug carrier to improve the bioavailability, solubility of 9-AA. The interaction between 9-AA and CDs (α-CD and β-CD) has been studied using UV-Vis absorption, steady state time resolved fluorescence, 1H NMR and FT-IR spectroscopy techniques. The spectroscopic measurements show that 9-AA does not form stable complex with α-CD and also confirmed by DFT calculations. On the other hand, 9-AA forms inclusion complex with β-CD in a 1:1 stoichiometry ratio. Our DFT results suggest that 9-AA stabilizes inside the CD environment through hydrogen bonding that has unambiguously confirmed by AIM analysis. Thus our studies provide a useful insights in the development of Aminoacridine based drugs & its delivery through a suitable carrier like CDs.

  10. Immunochemical and Spectroscopic Evidence for Protein Conformational Changes in Phytochrome Transformations

    PubMed Central

    Hopkins, D. W.; Butler, W. L.

    1970-01-01

    Phytochrome was examined by immunochemical and spectroscopic techniques to detect differences between the protein moieties of red- and far red-absorbing phytochrome (Pr and Pfr). No differences in the reaction of Pr and Pfr with phytochrome antibody were discernible on Ouchterlony double diffusion plates. However, the microcomplement fixation assay showed a greater degree of antibody reaction with Pfr than with Pr, indicating some difference in the surface characteristics of the two forms. Circular dichroism spectroscopy between 300 and 200 nanometers revealed differences between Pr and Pfr which may reflect differences in the protein conformation. The circular dichroism spectrum of Pr showed a negative band at 285 nanometers which was not present in the spectrum of Pfr, and the large negative circular dichroism band at 222 nanometers with Pfr, associated with the α-helical content, was shifted 2 nanometers to shorter wave length with Pr although there was no change of magnitude of this band. The absorbancy of Pr and Pfr is very nearly the same in the 280 nanometer spectral region, but sensitive difference spectra between Pr and Pfr did reveal spectra which were similar to solvent perturbation spectra obtained by others with different proteins. In total, the experiments indicate that there are conformational differences between the protein moieties of Pr and Pfr but that these differences are rather slight from a standpoint of gross structure. Images PMID:16657343

  11. Spectroscopic evidence of charge exchange X-ray emission from galaxies

    NASA Astrophysics Data System (ADS)

    Wang, Q. D.; Liu, J.

    2012-04-01

    What are the origins of the soft X-ray line emission from non-AGN galaxies? XMM-Newton RGS spectra of nearby non-AGN galaxies (including starforming ones: M82, NGC 253, M51, M83, M61, NGC 4631, M94, NGC 2903, and the Antennae galaxies, as well as the inner bulge of M31) have been analyzed. In particular, the K\\alpha triplet of O VII shows that the resonance line is typically weaker than the forbidden and/or inter-combination lines. This suggests that a substantial fraction of the emission may not arise directly from optically thin thermal plasma, as commonly assumed, and may instead originate at its interface with neutral gas via charge exchange. This latter origin naturally explains the observed spatial correlation of the emission with various tracers of cool gas in some of the galaxies. However, alternative scenarios, such as the resonance scattering by the plasma and the relic photo-ionization by AGNs in the recent past, cannot be ruled out, at least in some cases, and are being examined. Such X-ray spectroscopic studies are important to the understanding of the relationship of the emission to various high-energy feedback processes in galaxies.

  12. Spectroscopic evidence for cofactor-substrate interaction in the radical-SAM enzyme TYW1.

    PubMed

    Kathirvelu, Velavan; Perche-Letuvée, Phanélie; Latour, Jean-Marc; Atta, Mohamed; Forouhar, Farhad; Gambarelli, Serge; Garcia-Serres, Ricardo

    2017-06-22

    TYW1 is a metalloenzyme involved in the modifications of guanosine 37 of Phe-tRNA of Eukaryota and Archaea. It catalyzes the second step of Wybutosine biosynthesis, which consists of the formation of the tricyclic compound imG-14 from m(1)G using pyruvate and SAM (S-adenosyl-methionine) as co-substrates. Two [4Fe-4S] clusters are needed in the catalytic process. One effects the reductive binding of SAM, which initiates the radical reaction that inserts a C-C moiety into m(1)G. The other [4Fe-4S] cluster binds the pyruvate molecule that provides the C-C motif. Using a combination of EPR and Mössbauer spectroscopy, we have been able to probe the binding of both cofactors to the FeS clusters. The results highlight an interaction between pyruvate and SAM, indicating that they bind in close vicinity inside the catalytic pocket. They also indicate a chelating binding mode of pyruvate to the accessible Fe site of the corresponding FeS cluster. This binding mode has been used to construct a docking model of holoTYW1 with pyruvate and SAM, which is consistent with the spectroscopic findings.

  13. Optical spectroscopic characterization of single tryptophan mutants of chicken skeletal troponin C: evidence for interdomain interaction.

    PubMed

    Moncrieffe, M C; Venyaminov, S Y; Miller, T E; Guzman, G; Potter, J D; Prendergast, F G

    1999-09-14

    The effects of metal ion binding on the optical spectroscopic properties and temperature stability of two single tryptophan mutants of chicken skeletal TnC, F78W and F154W, have been examined. The absence of tyrosine and other tryptophan residues allowed the unambiguous assignment of the spectral signal from the introduced Trp residue. Changes in the molar ellipticity values in the far-UV CD spectra of the mutant proteins on metal ion binding were similar to those of wild-type TnC suggesting that the introduction of the Trp residue had no effect on the total secondary structure content. The fluorescence and near-UV absorbance data reveal that, in the apo state, Trp-78 is buried while Trp-154 is exposed to solvent. Additionally, the highly resolved (1)L(b) band of Trp-78 seen in the near-UV absorbance and CD spectra of the apo state of F78W suggest that this residue is likely in a rigid molecular environment. In the calcium-saturated state, Trp-154 becomes buried while the solvent accessibility of Trp-78 increases. The fluorescence emission and near-UV CD of Trp-78 in the N-terminal domain were sensitive to calcium binding at the C-terminal domain sites. Measurements of the temperature stability reveal that events occurring in the N-terminal domain affect the stability of the C-terminal domain and vice versa. This, coupled with the titration data, strongly suggests that there are interactions between the N- and C-terminal domains of TnC.

  14. Surface enhanced vibrational spectroscopic evidence for an alternative DNA-independent redox activation of endonuclease III.

    PubMed

    Moe, Elin; Sezer, Murat; Hildebrandt, Peter; Todorovic, Smilja

    2015-02-21

    Surface enhanced vibrational spectro-electrochemistry of endonuclease III provides direct evidence that the [4Fe-4S] cluster is responsible for the enzyme redox activity, and that this process is not exclusively DNA-mediated, as currently proposed. We report the first surface enhanced resonance Raman spectrum of a [4Fe-4S](2+) cluster containing enzyme.

  15. X-ray photoelectron spectroscopic evidence for bacteria-enhanced dissolution of hornblende

    NASA Astrophysics Data System (ADS)

    Kalinowski, B. E.; Liermann, L. J.; Brantley, S. L.; Barnes, A.; Pantano, C. G.

    2000-04-01

    hornblende surface. Surface complexation is favored because of the extremely high association constants for siderophore + Fe(III). X-ray photoelectron spectroscopic data is therefore consistent with a model wherein enhanced Fe release by these bacteria or desferrioxamine B is caused by Fe-siderophore complexation at the silicate surface. Such complexation presumably weakens bonds between the Fe and the oxide lattice, causing enhanced Fe leaching and an Fe-depleted surface. Some leaching may also be due to LMWOA, although this is interpreted to be of secondary importance.

  16. First Spectroscopic Evidence for High Ionization State and Low Oxygen Abundance in Lyα Emitters

    NASA Astrophysics Data System (ADS)

    Nakajima, Kimihiko; Ouchi, Masami; Shimasaku, Kazuhiro; Hashimoto, Takuya; Ono, Yoshiaki; Lee, Janice C.

    2013-05-01

    We present results from Keck/NIRSPEC and Magellan/MMIRS follow-up spectroscopy of Lyα emitters (LAEs) at z = 2.2 identified in our Subaru narrowband survey. We successfully detect Hα emission from seven LAEs, and perform a detailed analysis of six LAEs free from active galactic nucleus activity, two out of which, CDFS-3865 and COSMOS-30679, have [O II] and [O III] line detections. They are the first [O II]-detected LAEs at high-z, and their [O III]/[O II] ratios and R23-indices provide the first simultaneous determinations of ionization parameter and oxygen abundance for LAEs. CDFS-3865 has a very high ionization parameter (q_{ion}=2.5^{+1.7}_{-0.8} \\times 10^8 cm s-1) and a low oxygen abundance (12+log (O/H)=7.84^{+0.24}_{-0.25}) in contrast with moderate values of other high-z galaxies such as Lyman break galaxies (LBGs). COSMOS-30679 also possesses a relatively high ionization parameter (q_{ion}=8^{+10}_{-4} \\times 10^7 cm s-1) and a low oxygen abundance (12+log (O/H)=8.18^{+0.28}_{-0.28}). Both LAEs appear to fall below the mass-metallicity relation of z ~ 2 LBGs. Similarly, a low metallicity of 12 + log (O/H) < 8.4 is independently indicated for typical LAEs from a composite spectrum and the [N II]/Hα index. Such high ionization parameters and low oxygen abundances can be found in local star-forming galaxies, but this extreme local population occupies only ~0.06% of the Sloan Digital Sky Survey spectroscopic galaxy sample with a number density ~100 times smaller than that of LAEs. With their high ionization parameters and low oxygen abundances, LAEs would represent an early stage of galaxy formation dominated by massive stars in compact star-forming regions. High-q ion galaxies like LAEs would produce ionizing photons efficiently with a high escape fraction achieved by density-bounded H II regions, which would significantly contribute to cosmic reionization at z > 6. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is

  17. Evidence for CO in Jupiter's atmosphere from airborne spectroscopic observations at 5 microns

    NASA Technical Reports Server (NTRS)

    Larson, H. P.; Fink, U.; Treffers, R. R.

    1978-01-01

    High-altitude (12.4 km) spectra of Jupiter recorded at the Kuiper Airborne Observatory are analyzed for the presence of CO absorption lines. A line-by-line comparison of Jupiter's spectrum with that of carbon monoxide is presented, as well as a correlation analysis that includes the influence of other gases present in Jupiter's atmosphere (CH4, NH3, H2O, PH3, and GeH4). The resulting evidence points strongly to the presence of carbon monoxide in Jupiter's atmosphere, thus strengthening Beer's evidence for it. Possible explanations for the existence and observability of Jovian CO, including convection from hotter, deeper layers or decomposition of organic molecules, are explored. A recent suggestion that the Jovian CO is restricted to stratospheric levels is not supported by the observations.

  18. Spectroscopic Evidence for Strong Quantum Spin Fluctuations with Itinerant Character in YFe2Ge2

    DOE PAGES

    Sirica, N.; Bondino, F.; Nappini, S.; ...

    2015-03-04

    We report x-ray absorption and photoemission spectroscopy of the electronic structure in the normal state of metallic YFe2Ge2. The data reveal evidence for large fluctuating spin moments on the Fe sites, as indicated by exchange multiplets appearing in the Fe 3s core-level photoemission spectra, even though the compound does not show magnetic order. The magnitude of the multiplet splitting is comparable to that observed in the normal state of the Fe-pnictide superconductors. This shows a connection between YFe2Ge2 and the Fe-based superconductors even though it contains neither pnictogens nor chalcogens. Finally, the implication is that the chemical range of compoundsmore » showing at least one of the characteristic magnetic signatures of the Fe-based superconductors is broader than previously thought.« less

  19. In situ molecular spectroscopic evidence for CO2 intercalation into montmorillonite in supercritical carbon dioxide.

    PubMed

    Loring, John S; Schaef, Herbert T; Turcu, Romulus V F; Thompson, Christopher J; Miller, Quin R S; Martin, Paul F; Hu, Jianzhi; Hoyt, David W; Qafoku, Odeta; Ilton, Eugene S; Felmy, Andrew R; Rosso, Kevin M

    2012-05-08

    The interaction of anhydrous supercritical CO(2) (scCO(2)) with both kaolinite and ~1W (i.e., close to but less than one layer of hydration) calcium-saturated montmorillonite was investigated under conditions relevant to geologic carbon sequestration (50 °C and 90 bar). The CO(2) molecular environment was probed in situ using a combination of three novel high-pressure techniques: X-ray diffraction, magic angle spinning nuclear magnetic resonance spectroscopy, and attenuated total reflection infrared spectroscopy. We report the first direct evidence that the expansion of montmorillonite under scCO(2) conditions is due to CO(2) migration into the interlayer. Intercalated CO(2) molecules are rotationally constrained and do not appear to react with waters to form bicarbonate or carbonic acid. In contrast, CO(2) does not intercalate into kaolinite. The findings show that predicting the seal integrity of caprock will have complex dependence on clay mineralogy and hydration state.

  20. In Situ Molecular Spectroscopic Evidence for CO2 Intercalation into Montmorillonite in Supercritical Carbon Dioxide

    SciTech Connect

    Loring, John S.; Schaef, Herbert T.; Turcu, Romulus VF; Thompson, Christopher J.; Miller, Quin RS; Martin, Paul F.; Hu, Jian Z.; Hoyt, David W.; Qafoku, Odeta; Ilton, Eugene S.; Felmy, Andrew R.; Rosso, Kevin M.

    2012-04-25

    The interaction of anhydrous supercritical CO2 (scCO2) with both kaolinite and ~1W (i.e. close to but less than one layer of hydration) calcium-saturated montmorillonite was investigated under conditions relevant to geologic carbon sequestration (50 °C and 90 bar). The CO2 molecular environment was probed in situ using a combination of three novel high-pressure techniques: X-ray diffraction, magic angle spinning nuclear magnetic resonance spectroscopy and attenuated total reflection infrared spectroscopy. We report the first direct evidence that the expansion of montmorillonite under scCO2 conditions is due to CO2 migration into the interlayer. Intercalated CO2 molecules are rotationally constrained and do not appear to react with waters to form bicarbonate or carbonic acid. In contrast, CO2 does not intercalate into kaolinite. The findings show that predicting the seal integrity of caprock will have complex dependence on clay mineralogy and hydration state.

  1. Spectroscopic evidence for bulk-band inversion and three-dimensional massive Dirac fermions in ZrTe5.

    PubMed

    Chen, Zhi-Guo; Chen, R Y; Zhong, R D; Schneeloch, John; Zhang, C; Huang, Y; Qu, Fanming; Yu, Rui; Li, Q; Gu, G D; Wang, N L

    2017-01-31

    Three-dimensional topological insulators (3D TIs) represent states of quantum matters in which surface states are protected by time-reversal symmetry and an inversion occurs between bulk conduction and valence bands. However, the bulk-band inversion, which is intimately tied to the topologically nontrivial nature of 3D Tis, has rarely been investigated by experiments. Besides, 3D massive Dirac fermions with nearly linear band dispersions were seldom observed in TIs. Recently, a van der Waals crystal, ZrTe5, was theoretically predicted to be a TI. Here, we report an infrared transmission study of a high-mobility [∼33,000 cm(2)/(V ⋅ s)] multilayer ZrTe5 flake at magnetic fields (B) up to 35 T. Our observation of a linear relationship between the zero-magnetic-field optical absorption and the photon energy, a bandgap of ∼10 meV and a [Formula: see text] dependence of the Landau level (LL) transition energies at low magnetic fields demonstrates 3D massive Dirac fermions with nearly linear band dispersions in this system. More importantly, the reemergence of the intra-LL transitions at magnetic fields higher than 17 T reveals the energy cross between the two zeroth LLs, which reflects the inversion between the bulk conduction and valence bands. Our results not only provide spectroscopic evidence for the TI state in ZrTe5 but also open up a new avenue for fundamental studies of Dirac fermions in van der Waals materials.

  2. Spectroscopic evidence for bulk-band inversion and three-dimensional massive Dirac fermions in ZrTe5

    PubMed Central

    Chen, Zhi-Guo; Chen, R. Y.; Zhong, R. D.; Schneeloch, John; Zhang, C.; Huang, Y.; Qu, Fanming; Yu, Rui; Gu, G. D.; Wang, N. L.

    2017-01-01

    Three-dimensional topological insulators (3D TIs) represent states of quantum matters in which surface states are protected by time-reversal symmetry and an inversion occurs between bulk conduction and valence bands. However, the bulk-band inversion, which is intimately tied to the topologically nontrivial nature of 3D Tis, has rarely been investigated by experiments. Besides, 3D massive Dirac fermions with nearly linear band dispersions were seldom observed in TIs. Recently, a van der Waals crystal, ZrTe5, was theoretically predicted to be a TI. Here, we report an infrared transmission study of a high-mobility [∼33,000 cm2/(V ⋅ s)] multilayer ZrTe5 flake at magnetic fields (B) up to 35 T. Our observation of a linear relationship between the zero-magnetic-field optical absorption and the photon energy, a bandgap of ∼10 meV and a B dependence of the Landau level (LL) transition energies at low magnetic fields demonstrates 3D massive Dirac fermions with nearly linear band dispersions in this system. More importantly, the reemergence of the intra-LL transitions at magnetic fields higher than 17 T reveals the energy cross between the two zeroth LLs, which reflects the inversion between the bulk conduction and valence bands. Our results not only provide spectroscopic evidence for the TI state in ZrTe5 but also open up a new avenue for fundamental studies of Dirac fermions in van der Waals materials. PMID:28096330

  3. Spectroscopic evidence of 'jumping and pecking' of cholinium and H-bond enhanced cation-cation interaction in ionic liquids.

    PubMed

    Knorr, Anne; Fumino, Koichi; Bonsa, Anne-Marie; Ludwig, Ralf

    2015-12-14

    The subtle energy-balance between Coulomb-interaction, hydrogen bonding and dispersion forces governs the unique properties of ionic liquids. To measure weak interactions is still a challenge. This is in particular true in the condensed phase wherein a melange of different strong and directional types of interactions is present and cannot be detected separately. For the ionic liquids (2-hydroxyethyl)-trimethylammonium (cholinium) bis(trifluoro-methylsulfonyl)amide and N,N,N-trimethyl-N-propylammonium bis(trifluoromethylsulfonyl)amide which differ only in the 2-hydroxyethyl and the propyl groups of the cations, we could directly observe distinct vibrational signatures of hydrogen bonding between the cation and the anion indicated by 'jumping and pecking' motions of cholinium. The assignment could be confirmed by isotopic substitution H/D at the hydroxyl group of cholinium. For the first time we could also find direct spectroscopic evidence for H-bonding between like-charged ions. The repulsive Coulomb interaction between the cations is overcome by cooperative hydrogen bonding between the 2-hydroxyethyl functional groups of cholinium. This H-bond network is reflected in the properties of protic ionic liquids (PILs) such as viscosities and conductivities.

  4. Intermolecular insertion of ethylene and octene into a palladium-amide bond. Spectroscopic evidence for an ethylene amido intermediate.

    PubMed

    Hanley, Patrick S; Marković, Dean; Hartwig, John F

    2010-05-12

    We report a series of palladium diarylamido complexes containing a cyclometalated phosphine ligand and a coordinated THF that form enamine products from migratory insertion of ethylene and octene into the metal-nitrogen bond. The reactions of these complexes were sensitive to the electronic properties of the diarylamido group. The complex with the more electron-donating amido ligand reacted nearly 2 orders of magnitude faster than the complex with the least electron-donating amido group. The mechanism of the reactions with alkenes involves exchange of olefin for THF, as revealed by the positive order of the reaction in alkene and inverse order in the concentration of THF. A syn-aminopalladation that would result from migratory insertion was revealed by the stereochemistry of the enamine product resulting from reaction with cis-ethylene-d(2). Finally, a three-coordinate THF-free species was isolated from a synthesis of the amido complex in aromatic solvents, and spectroscopic evidence for an ethylene amido species was gained, in part by the addition of H(2)(13)C=(13)CH(2) to the three-coordinate amido complex at -100 degrees C.

  5. Spectroscopic evidence of a new energy scale for superconductivity in H3S

    NASA Astrophysics Data System (ADS)

    Capitani, F.; Langerome, B.; Brubach, J.-B.; Roy, P.; Drozdov, A.; Eremets, M. I.; Nicol, E. J.; Carbotte, J. P.; Timusk, T.

    2017-09-01

    The discovery of a superconducting phase in sulfur hydride under high pressure with a critical temperature above 200 K has provided fresh impetus to the search for superconductors at ever higher temperatures. Although this system displays all of the hallmarks of superconductivity, the mechanism through which it arises remains to be determined. Here we provide a first optical spectroscopy study of this superconductor. Experimental results for the optical reflectivity of H3S, under hydrostatic pressure of 150 GPa, for several temperatures and over the range 60 to 600 meV of photon energies, are compared with theoretical calculations based on Eliashberg theory. Two significant features stand out: some remarkably strong infrared-active phonons at around 160 meV, and a band with a depressed reflectance in the superconducting state in the region from 450 meV to 600 meV. In this energy range H3S becomes more reflecting with increasing temperature, a change that is traced to superconductivity originating from the electron-phonon interaction. The shape, magnitude and energy dependence of this band at 150 K agrees with our calculations. This provides strong evidence of a conventional mechanism. However, the unusually strong optical phonon suggests a contribution of electronic degrees of freedom.

  6. Spectroscopic Evidence for the Localization of Skyrmions near ν=1 as Tarrow 0

    NASA Astrophysics Data System (ADS)

    Barrett, S. E.

    2002-03-01

    Optically pumped nuclear magnetic resonance (OPNMR) measurements of ^71Ga spectra were carried out in an n-doped GaAs/Al_0.1Ga_0.9As multiple quantum well (MQW) sample near Landau level filling factor ν=1. Novel spin textures called skyrmions are predicted(S. L. Sondhi, A. Karlhede, S. A. Kivelson, and E. H. Rezayi, Phys. Rev. B) 47, 16419 (1993); H. A. Fertig, L. Brey, R. Cote, and A. H. MacDonald, Phys. Rev. B 50, 11018 (1994). to be the charged quasiparticles introduced by small deviations (|δν |) from this ferromagnetic quantum Hall ground state. At ``high'' temperatures, the spectra provide evidence for delocalized skyrmions. As the temperature is lowered (down to T ≈ 0.3 K), a ``tilted plateau'' emerges in the Knight shift data, which is a novel experimental signature of quasiparticle localization.(P. Khandelwal, A. E. Dementyev, N. N. Kuzma, S. E. Barrett, L. N. Pfeiffer, and K. W. West, Phys. Rev. Lett.) 86, 5353 (2001). The dependence of the spectra on both T and ν suggests that the localization is a collective process. The frozen limit spectra appear to rule out a 2D lattice of conventional skyrmions.

  7. Spectroscopic evidence of a new energy scale for superconductivity in H3S.

    PubMed

    Capitani, F; Langerome, B; Brubach, J-B; Roy, P; Drozdov, A; Eremets, M I; Nicol, E J; Carbotte, J P; Timusk, T

    2017-09-01

    The discovery of a superconducting phase in sulfur hydride under high pressure with a critical temperature above 200 K has provided fresh impetus to the search for superconductors at ever higher temperatures. Although this systems displays all the hallmarks of superconductivity, the mechanism through which it arises remains to be determined. Here we provide a first optical spectroscopy study of this superconductor. Experimental results for the optical reflectivity of H3S, under hydrostatic pressure of 150 GPa, for several temperatures and over the range 60 to 600 meV of photon energies, are compared with theoretical calculations based on Eliashberg theory. Two significant features stand out: some remarkably strong infrared active phonons at around 160 meV, and a band with a depressed reflectance in the superconducting state in the region from 450 meV to 600 meV. In this energy range H3S becomes more reflecting with increasing temperature, a change that is traced to superconductivity originating from the electron-phonon interaction. The shape, magnitude, and energy dependence of this band at 150 K agrees with our calculations. This provides strong evidence of a conventional mechanism. However, the unusually strong optical phonon suggests a contribution of electronic degrees of freedom.

  8. Surface complexation modeling and spectroscopic evidence of antimony adsorption on iron-oxide-rich red earth soils.

    PubMed

    Vithanage, Meththika; Rajapaksha, Anushka Upamali; Dou, Xiaomin; Bolan, Nanthi S; Yang, Jae E; Ok, Yong Sik

    2013-09-15

    Few studies have investigated surface complexation of antimony (Sb) on natural sorbents. In addition, intrinsic acidic constants, speciation, and spectroscopic data are scarce for Sb sorption in soil. Only simple sorption models have been proposed to describe the sorption of Sb(V) on specific mineral surfaces. This study therefore assessed the mechanisms of Sb(III) and Sb(V) adsorption on natural red earth (NRE), a naturally occurring iron coated sand, at various pHs and Sb loadings. The Sb(V) adsorption followed typical anion adsorption curve with adsorption reaching maximum around pH 4-5, while no pH dependence was observed for Sb(III) sorption. The FT-IR spectra revealed that shifts in absorbance of the hydroxyl groups in iron-oxide were related to the Fe-O-Sb bonds and provided evidence for inner sphere bond formation. Direct evidence on the strong interaction of Sb(III) and Sb(V) with ≡Fe-O and ≡Al-O was observed from the decrease in Fe-2p, Al-2p, and Si-2p peaks of the X-ray photoelectron spectroscopy (XPS) data before and after Sb(V) and Sb(III) adsorption on NRE. Successful data modeling using the 2-pK diffuse double layer model (DDLM) with the FITEQL revealed that sorption occurs through the formation of bidentate mononuclear and binuclear complexes. Model simulations showed a high affinity to the ≡FeOH sites at high Sb loadings, whereas at low loadings, both≡ FeOH and ≡AlOH sites showed similar affinities to Sb. In the case of Sb(V), multilayer formation was also revealed in addition to surface complexation by the isotherm data fitted with the Freundlich model and two sites Langmuir equations, which indicated heterogeneous multilayer adsorption of Sb(V) on NRE. Copyright © 2013 Elsevier Inc. All rights reserved.

  9. Infrared Spectroscopic Studies of OCS Trapped in Solid Parahydrogen: Indirect Evidence of Large Amplitude Motions

    NASA Astrophysics Data System (ADS)

    Anderson, David T.

    2016-06-01

    provide indirect evidence of this delocalization. We are currently trying to model the effect of pH2 delocalization on the OCS vibrational frequency to compare with experiment and test this hypothesis. S. Grebenev, B. Sartakov, J.P. Toennies, A.F. Vilesov, Science 289, 1532-1535 (2000) J. Tang, Y. Xu, A.R.W. McKellar, W. Jäger, Science 297, 2030-2033 (2002)

  10. Evidence for a spectroscopic direct detection of reflected light from 51 Pegasi b

    NASA Astrophysics Data System (ADS)

    Martins, J. H. C.; Santos, N. C.; Figueira, P.; Faria, J. P.; Montalto, M.; Boisse, I.; Ehrenreich, D.; Lovis, C.; Mayor, M.; Melo, C.; Pepe, F.; Sousa, S. G.; Udry, S.; Cunha, D.

    2015-04-01

    Context. The detection of reflected light from an exoplanet is a difficult technical challenge at optical wavelengths. Even though this signal is expected to replicate the stellar signal, not only is it several orders of magnitude fainter, but it is also hidden among the stellar noise. Aims: We apply a variant of the cross-correlation technique to HARPS observations of 51 Peg to detect the reflected signal from planet 51 Peg b. Methods: Our method makes use of the cross-correlation function (CCF) of a binary mask with high-resolution spectra to amplify the minute planetary signal that is present in the spectra by a factor proportional to the number of spectral lines when performing the cross correlation. The resulting cross-correlation functions are then normalized by a stellar template to remove the stellar signal. Carefully selected sections of the resulting normalized CCFs are stacked to increase the planetary signal further. The recovered signal allows probing several of the planetary properties, including its real mass and albedo. Results: We detect evidence for the reflected signal from planet 51 Peg b at a significance of 3σnoise. The detection of the signal permits us to infer a real mass of 0.46+0.06-0.01 MJup (assuming a stellar mass of 1.04 MSun) for the planet and an orbital inclination of 80+10-19 degrees. The analysis of the data also allows us to infer a tentative value for the (radius-dependent) geometric albedo of the planet. The results suggest that 51Peg b may be an inflated hot Jupiter with a high albedo (e.g., an albedo of 0.5 yields a radius of 1.9 ± 0.3 RJup for a signal amplitude of 6.0 ± 0.4 × 10-5). Conclusions: We confirm that the method we perfected can be used to retrieve an exoplanet's reflected signal, even with current observing facilities. The advent of next generation of instruments (e.g. VLT-ESO/ESPRESSO) and observing facilities (e.g. a new generation of ELT telescopes) will yield new opportunities for this type of technique

  11. Spectroscopic evidence for bulk-band inversion and three-dimensional massive Dirac fermions in ZrTe5

    DOE PAGES

    Chen, Zhi -Guo; Chen, R. Y.; Zhong, R. D.; ...

    2017-01-17

    Three-dimensional topological insulators (3D TIs) represent states of quantum matters in which surface states are protected by time-reversal symmetry and an inversion occurs between bulk conduction and valence bands. However, the bulk-band inversion, which is intimately tied to the topologically nontrivial nature of 3D Tis, has rarely been investigated by experiments. Besides, 3D massive Dirac fermions with nearly linear band dispersions were seldom observed in TIs. Recently, a van der Waals crystal, ZrTe5, was theoretically predicted to be a TI. Here, we report an infrared transmission study of a high-mobility [~33,000 cm2/(V • s)] multilayer ZrTe5 flake at magnetic fieldsmore » (B) up to 35 T. Our observation of a linear relationship between the zero-magnetic-field optical absorption and the photon energy, a bandgap of ~10 meV and a √B dependence of the Landau level (LL) transition energies at low magnetic fields demonstrates 3D massive Dirac fermions with nearly linear band dispersions in this system. More importantly, the reemergence of the intra-LL transitions at magnetic fields higher than 17 T reveals the energy cross between the two zeroth LLs, which reflects the inversion between the bulk conduction and valence bands. Finally, our results not only provide spectroscopic evidence for the TI state in ZrTe5 but also open up a new avenue for fundamental studies of Dirac fermions in van der Waals materials.« less

  12. Mechanism of myo-inositol hexakisphosphate sorption on amorphous aluminum hydroxide: spectroscopic evidence for rapid surface precipitation.

    PubMed

    Yan, Yupeng; Li, Wei; Yang, Jun; Zheng, Anmin; Liu, Fan; Feng, Xionghan; Sparks, Donald L

    2014-06-17

    Inositol hexakisphosphates are the most abundant organic phosphates (OPs) in most soils and sediments. Adsorption, desorption, and precipitation reactions at environmental interfaces govern the reactivity, speciation, mobility, and bioavailability of inositol hexakisphosphates in terrestrial and aquatic environments. However, surface complexation and precipitation reactions of inositol hexakisphosphates on soil minerals have not been well understood. Here we investigate the surface complexation-precipitation process and mechanism of myo-inositol hexakisphosphate (IHP, phytate) on amorphous aluminum hydroxide (AAH) using macroscopic sorption experiments and multiple spectroscopic tools. The AAH (16.01 μmol m(-2)) exhibits much higher sorption density than boehmite (0.73 μmol m(-2)) and α-Al2O3 (1.13 μmol m(-2)). Kinetics of IHP sorption and accompanying OH(-) release, as well as zeta potential measurements, indicate that IHP is initially adsorbed on AAH through inner-sphere complexation via ligand exchange, followed by AAH dissolution and ternary complex formation; last, the ternary complexes rapidly transform to surface precipitates and bulk phase analogous to aluminum phytate (Al-IHP). The pH level, reaction time, and initial IHP loading evidently affect the interaction of IHP on AAH. In situ ATR-FTIR and solid-state NMR spectra further demonstrate that IHP sorbs on AAH and transforms to surface precipitates analogous to Al-IHP, consistent with the results of XRD analysis. This study indicates that active metal oxides such as AAH strongly mediate the speciation and behavior of IHP via rapid surface complexation-precipitation reactions, thus controlling the mobility and bioavailability of inositol phosphates in the environment.

  13. Spectroscopic evidence for and characterization of a trinuclear ferroxidase center in bacterial ferritin from Desulfovibrio vulgaris Hildenborough.

    PubMed

    Pereira, Alice S; Timóteo, Cristina G; Guilherme, Márcia; Folgosa, Filipe; Naik, Sunil G; Duarte, Américo G; Huynh, Boi Hanh; Tavares, Pedro

    2012-07-04

    Ferritins are ubiquitous and can be found in practically all organisms that utilize Fe. They are composed of 24 subunits forming a hollow sphere with an inner cavity of ~80 Å in diameter. The main function of ferritin is to oxidize the cytotoxic Fe(2+) ions and store the oxidized Fe in the inner cavity. It has been established that the initial step of rapid oxidation of Fe(2+) (ferroxidation) by H-type ferritins, found in vertebrates, occurs at a diiron binding center, termed the ferroxidase center. In bacterial ferritins, however, X-ray crystallographic evidence and amino acid sequence analysis revealed a trinuclear Fe binding center comprising a binuclear Fe binding center (sites A and B), homologous to the ferroxidase center of H-type ferritin, and an adjacent mononuclear Fe binding site (site C). In an effort to obtain further evidence supporting the presence of a trinuclear Fe binding center in bacterial ferritins and to gain information on the states of the iron bound to the trinuclear center, bacterial ferritin from Desulfovibrio vulgaris (DvFtn) and its E130A variant was loaded with substoichiometric amounts of Fe(2+), and the products were characterized by Mössbauer and EPR spectroscopy. Four distinct Fe species were identified: a paramagnetic diferrous species, a diamagnetic diferrous species, a mixed valence Fe(2+)Fe(3+) species, and a mononuclear Fe(2+) species. The latter three species were detected in the wild-type DvFtn, while the paramagnetic diferrous species was detected in the E130A variant. These observations can be rationally explained by the presence of a trinuclear Fe binding center, and the four Fe species can be properly assigned to the three Fe binding sites. Further, our spectroscopic data suggest that (1) the fully occupied trinuclear center supports an all ferrous state, (2) sites B and C are bridged by a μ-OH group forming a diiron subcenter within the trinuclear center, and (3) this subcenter can afford both a mixed valence Fe(2

  14. A strenuous experimental journey searching for spectroscopic evidence of a bridging nickel–iron–hydride in [NiFe] hydrogenase

    PubMed Central

    Wang, Hongxin; Yoda, Yoshitaka; Ogata, Hideaki; Tanaka, Yoshihito; Lubitz, Wolfgang

    2015-01-01

    Direct spectroscopic evidence for a hydride bridge in the Ni–R form of [NiFe] hydrogenase has been obtained using iron-specific nuclear resonance vibrational spectroscopy (NRVS). The Ni–H–Fe wag mode at 675 cm−1 is the first spectroscopic evidence for a bridging hydride in Ni–R as well as the first iron-hydride-related NRVS feature observed for a biological system. Although density function theory (DFT) calculation assisted the determination of the Ni–R structure, it did not predict the Ni–H–Fe wag mode at ∼675 cm−1 before NRVS. Instead, the observed Ni–H–Fe mode provided a critical reference for the DFT calculations. While the overall science about Ni–R is presented and discussed elsewhere, this article focuses on the long and strenuous experimental journey to search for and experimentally identify the Ni–H–Fe wag mode in a Ni–R sample. As a methodology, the results presented here will go beyond Ni–R and hydrogenase research and will also be of interest to other scientists who use synchrotron radiation for measuring dilute samples or weak spectroscopic features. PMID:26524296

  15. Spectroscopic evidence of a bidentate-binding of meso-2,3-dimercaptosuccinic acid on silver nanoclusters

    NASA Astrophysics Data System (ADS)

    Zaluzhna, Oksana; Brightful, Lyndsey; Allison, Thomas C.; Tong, YuYe J.

    2011-06-01

    New insight into the metal-ligand binding interaction in meso-2,3-dimercaptosuccinic acid (DMSA) protected silver nanoclusters (NCs) is presented in this work. IR, Raman and 13C NMR spectroscopic characterizations and DFT calculations suggest that DMSA forms a bidentate binding, rather than the originally-proposed monodentate binding, via two sulfur atoms with the underlying Ag7 NC, which is in agreement with recent ab initio calculations.

  16. Spectroscopic Evidence of a Bidentate-Binding of Meso-2,3-Dimercaptosuccinic Acid on Silver Nanoclusters

    SciTech Connect

    Zaluzhna, Oksana; Brightful, Lyndsey; Allison, Thomas C.; Tong, Yu ye J.

    2011-06-14

    New insight into the metal–ligand binding interaction in meso-2,3-dimercaptosuccinic acid (DMSA) protected silver nanoclusters (NCs) is presented in this work. IR, Raman and 13C NMR spectroscopic characterizations and DFT calculations suggest that DMSA forms a bidentate binding, rather than the originally- proposed monodentate binding, via two sulfur atoms with the underlying Ag7 NC, which is in agreement with recent ab initio calculations.

  17. Infrared Spectroscopic Evidences of Strong Electronic Correlations in (Sr1−xLax)3Ir2O7

    PubMed Central

    Ahn, Gihyeon; Song, S. J.; Hogan, T.; Wilson, S. D.; Moon, S. J.

    2016-01-01

    We report on infrared spectroscopic studies of the electronic response of the (Sr1−xLax)3Ir2O7 system. Our experiments revealed hallmarks of strong electronic correlations in the evolution of the electronic response across the filling-controlled insulator-metal transition. We observed a collapse of the Jeff = 1/2 Mott gap accompanying the transfer of the spectral weight from the high-energy region to the gap region with electron doping. The intraband conductivity at the metallic side of the transition was found to consist of coherent Drude-like and incoherent responses. The sum rule and the extended Drude model analyses further indicated a large mass enhancement. Our results demonstrate a critical role of the electronic correlations in the charge dynamics of the (Sr1−xLax)3Ir2O7 system. PMID:27599573

  18. Raman spectroscopic evidence for the charge disproportionation in a quasi-two-dimensional organic conductor θ -(BDT-TTP)2Cu(NCS)2

    NASA Astrophysics Data System (ADS)

    Ouyang, J.; Yakushi, K.; Misaki, Y.; Tanaka, K.

    2001-02-01

    We present spectroscopic evidence for the charge disproportionation in the crystal θ-(BDT-TTP)2Cu(NCS)2 (BDT-TTP=2,5-bis(1',3'-dithiol- 2'-ylidene)-1,3,4,6-tetrathia-pentalene). θ-(BDT-TTP)2Cu(NCS)2 is a highly correlated organic conductor with a quasi-two-dimensional electronic structure. In the electrical resistance of this compound, we found a second-order phase transition at 250 K. Below this phase-transition temperature, the optical absorption in the midinfrared region exhibits a high-frequency shift, and the Raman-active C=C stretching modes ν2, ν3, and ν4, which are sensitive to the charge on BDT-TTP, split into 12 bands at 5 K. Based on the excitation-light dependence of the Raman spectrum, we propose that a disproportionation of charge occurs below the phase-transition temperature.

  19. Spectroscopic evidence for the influence of the benzene sites on tightly bound H2 in metal-organic frameworks with unsaturated metal centers: MOF-74-cobalt.

    PubMed

    Nijem, Nour; Kong, Lingzhu; Zhao, Yonggang; Wu, Haohan; Li, Jing; Langreth, David C; Chabal, Yves J

    2011-04-06

    The role of low binding energy sites on the adsorption of H(2) in metal-organic frameworks (MOFs) with unsaturated metal centers has not been identified. For instance, the importance of the benzene sites on H(2) adsorption at the metal site in MOF-74 has not been established. We report here experimental evidence that unambiguously shows that the internal mode of H(2) adsorbed at the metal site undergoes both a frequency shift and a marked change in its dynamic dipole moment when H(2) is adsorbed at the next nearest neighbor "benzene" site in MOF-74-Co. The effect of loading (i.e., occupation of all benzene sites) also induces spectroscopic shifts in H(2) at the metal site. These interactions highlight the role of lower binding energy sites in H(2) adsorption. © 2011 American Chemical Society

  20. Fractionation of Suwannee River Fulvic Acid and Aldrich Humic Acid on α-Al2O3: Spectroscopic Evidence

    SciTech Connect

    Claret, F.; Schäfer, T; Brevet, J; Reiller, P

    2008-01-01

    Sorptive fractionation of Suwannee River Fulvic Acid (SRFA) and Purified Aldrich Humic Acid (PAHA) on a-Al2O3 at pH 6 was probed in the supernatant using different spectroscopic techniques. Comparison of dissolved organic carbon (DOC) analysis with UV/vis spectrophotometric measurements at 254 nm, including specific UV absorbance (SUVA) calculation, revealed a decrease in chromophoric compounds for the nonsorbed extracts after a 24 h contact time. This fractionation, only observable below a certain ratio between initial number of sites of humic substances and of a-Al2O3, seems to indicate a higher fractionation for PAHA. C(1s) near-edge X-ray absorption fine structure spectroscopy (NEXAFS) confirmed this trend and points to a decrease in phenolic moieties in the supernatant and to an eventual increase in phenolic moieties on the surface. Time-resolved luminescence spectroscopy (TRLS) of Eu(III) as luminescent probe showed a decrease in the ratio between the 5D0?7F2 and 5D0?7F1 transitions for the fractionated organic matter (OM) that is thought to be associated with a lower energy transfer from the OM to Eu(III) due to the loss of polar aromatics. These modifications in the supernatant are a hint for the modification of sorbed humic extracts on the surface.

  1. Spectroscopic study of interactions of lead (II) ions with dissolved organic matter: Evidence of preferential engagement of carboxylic groups

    NASA Astrophysics Data System (ADS)

    Lu, Yujuan; Yan, Mingquan; Korshin, Gregory V.

    2017-09-01

    The speciation, bioavailability and transport of Pb(II) in the environment are strongly affected by dissolved organic matter (DOM). Despite the importance of these interactions, the nature of Pb(II)-DOM binding is insufficiently attested. This study addressed this deficiency using the method of differential absorbance spectroscopy in combination with the non-ideal competitive adsorption (NICA)-Donnan model. Differential absorbance data allowed quantifying the interactions between Pb(II) and DOM in a wide range of pH values, ionic strengths and Pb(II) concentrations at an environmentally relevant DOM concentration (5 mg L-1). Changes of the slopes of the log-transformed absorbance spectra of DOM in the range of wavelength 242-262 and 350-400 nm were found to be predictive of the extent of Pb(II) bound by DOM carboxylic groups and of the total amount of DOM-bound Pb(II), respectively. The results also demonstrated the preferential involvement of DOM carboxylic groups in Pb(II) binding. The spectroscopic data allowed optimizing selected Pb(II)-DOM complexation constants used in the NICA-Donnan Model. This resulted in a markedly improved performance of that model when it was applied to interpret previously published Pb(II)-fulvic acid datasets.

  2. New Evidences of Key Factors Involved in "Silent Stones" Etiopathogenesis and Trace Elements: Microscopic, Spectroscopic, and Biochemical Approach.

    PubMed

    Cavalu, Simona; Popa, Adriana; Bratu, Ioan; Borodi, Gheorghe; Maghiar, Adrian

    2015-12-01

    The knowledge of the key factors involved in etiopathogenesis of the gallstone disease requires chemical, structural, and elemental composition analysis. The application of different complementary analytical techniques, both microscopic and spectroscopic, are aimed to provide a more comprehensive determination of the gallbladder calculi ultrastructure and trace element identification. High sensitivity techniques such as electron microscopy (SEM), Fourier transform infrared (FTIR), electron paramagnetic resonance (EPR) spectroscopy, and X-ray diffraction (XRD) along with biochemical analysis are used in a new attempt to investigate various factors which play a regulatory role in the pathogenesis of gallstones. The microstructure of different types of gallbladder stones has specific characteristics which are related to the elemental composition. The binding of metal ions with bile salts and bilirubin plays important roles in gallstone formation as revealed by FTIR spectrum of calcium bilirubinate complex in pigment gallstones. The EPR results demonstrated the generation of bilirubin free radicals and variation of its electronic structure and conjugation system in the skeleton of bilirubin molecule during complex formation. EPR spectra of pigment gallstones demonstrate the coexistence of four paramagnetic centers including stable bilirubin free radical, Mn2+, Cu2+, and Fe3+ with distinct magnetic parameters and well-resolved hyperfine structure in the case of Mn2+ ions. The result confirms a macromolecular network structure with proteins and the formation of bilirubin-coordinated polymer. Bilirubin and bilirubinate free radical complexes may play an important role in pigment gallstone formation.

  3. Interplay of electron correlations and localization in disordered β-tantalum films: Evidence from dc transport and spectroscopic ellipsometry study

    NASA Astrophysics Data System (ADS)

    Kovaleva, N. N.; Chvostova, D.; Bagdinov, A. V.; Petrova, M. G.; Demikhov, E. I.; Pudonin, F. A.; Dejneka, A.

    2015-02-01

    We report the dc transport (5 K ≲ T ≲ 380 K) and spectroscopic ellipsometry (0.8 eV ≤ hν ≤ 8.5 eV, T ≃ 300 K) study of β-Ta films prepared by rf sputtering deposition as a function of their thickness in the range 2.5 nm ≲ d ≲ 200 nm. The dc transport of the β-Ta films with a thickness d ≳ 25 nm is characterized by negative temperature coefficient of resistivity (TCR) caused by localization effects peculiar of highly disordered metals. Their dielectric function spectra display non-metallic-like behavior due to the presence of the pronounced band at 2 eV. We found that with increasing TCR absolute value, specifying elevated degree disorder, the optical spectral weight (SW) of free charge carriers decreases. The associated SW is recovered in the range of Mott-Hubbard transitions, indicating the mechanism of localization enhancement by electronic correlations in disordered metals.

  4. Interplay of electron correlations and localization in disordered β-tantalum films: Evidence from dc transport and spectroscopic ellipsometry study

    SciTech Connect

    Kovaleva, N. N.; Chvostova, D.; Dejneka, A.; Bagdinov, A. V.; Petrova, M. G.; Demikhov, E. I.; Pudonin, F. A.

    2015-02-02

    We report the dc transport (5 K ≲ T ≲ 380 K) and spectroscopic ellipsometry (0.8 eV ≤ hν ≤ 8.5 eV, T ≃ 300 K) study of β-Ta films prepared by rf sputtering deposition as a function of their thickness in the range 2.5 nm ≲ d ≲ 200 nm. The dc transport of the β-Ta films with a thickness d ≳ 25 nm is characterized by negative temperature coefficient of resistivity (TCR) caused by localization effects peculiar of highly disordered metals. Their dielectric function spectra display non-metallic-like behavior due to the presence of the pronounced band at 2 eV. We found that with increasing TCR absolute value, specifying elevated degree disorder, the optical spectral weight (SW) of free charge carriers decreases. The associated SW is recovered in the range of Mott-Hubbard transitions, indicating the mechanism of localization enhancement by electronic correlations in disordered metals.

  5. Spectroscopic and theoretical study of the "azo"-dye E124 in condensate phase: evidence of a dominant hydrazo form.

    PubMed

    Almeida, Mariana R; Stephani, Rodrigo; Dos Santos, Hélio F; de Oliveira, Luiz Fernando C

    2010-01-14

    Spectroscopic techniques, including Raman, IR, UV/vis, and NMR were used to characterize the samples of the azo dye Ponceau 4R (also known as E124, New Coccine; Cochineal Red; C.I. no. 16255; Food Red No. 102), which is 1,3-naphthalenedisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl) azo] trisodium salt in aqueous solution and solid state. In addition, first principle calculations were carried out for the azo (OH) and hydrazo (NH) tautomers in order to assist in the assignment of the experimental data. The two intense bands observed in the UV/vis spectrum, centered at 332 and 507 nm, can be compared to the calculated values at 296 and 474 nm for azo and 315 and 500 nm for hydrazo isomer, with the latter in closer agreement to the experiment. The Raman spectrum is quite sensitive to tautomeric equilibrium; in solid state and aqueous solution, three bands were observed around 1574, 1515, and 1364 cm(-1), assigned to mixed modes including deltaNH + betaCH + nuCC, deltaNH + nuC horizontal lineO + nuC horizontal lineN + betaCH and nuCC vibrations, respectively. These assignments are predicted only for the NH species centered at 1606, 1554, and 1375 cm(-1). The calculated Raman spectrum for the azo (OH) tautomer showed two strong bands at 1468 (nuN = N + deltaOH) and 1324 cm(-1) (nuCC + nuC-N), which were not obtained experimentally. The (13)C NMR spectrum showed a very characteristic peak at 192 ppm assigned to the carbon bound to oxygen in the naphthol ring; the predicted values were 165 ppm for OH and 187 for NH isomer, supporting once again the predominance of NH species in solution. Therefore, all of the experimental and theoretical results strongly suggest the food dye Ponceau 4R or E124 has a major contribution of the hydrazo structure instead of the azo form as the most abundant in condensate phase.

  6. Spectroscopic mapping of the white horse alunite deposit, Marysvale volcanic field, Utah: Evidence of a magmatic component

    USGS Publications Warehouse

    Rockwell, B.W.; Cunningham, C.G.; Breit, G.N.; Rye, R.O.

    2006-01-01

    Previous studies have demonstrated that the replacement alunite deposits just north of the town of Marysvale, Utah, USA, were formed primarily by low-temperature (100??-170?? C), steam-heated processes near the early Miocene paleoground surface, immediately above convecting hydrothermal plumes. Pyrite-bearing propylitically altered rocks occur mainly beneath the steam-heated alunite and represent the sulfidized feeder zone of the H2S-dominated hydrothermal fluids, the oxidation of which at higher levels led to the formation of the alunite. Maps of surface mineralogy at the White Horse deposit generated from Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data were used in conjunction with X-ray diffraction studies of field samples to test the accuracy and precision of AVIRIS-based mineral mapping of altered rocks and demonstrate the utility of spectroscopic mapping for ore deposit characterization. The mineral maps identified multiple core zones of alunite that grade laterally outward to kaolinite. Surrounding the core zones are dominantly propylitically altered rocks containing illite, montmorillonite, and chlorite, with minor pyrite, kaolinite, gypsum, and remnant potassium feldspar from the parent rhyodacitic ash-flow tuff. The AVIRIS mapping also identified fracture zones expressed by ridge-forming selvages of quartz + dickite + kaolinite that form a crude ring around the advanced argillic core zones. Laboratory analyses identified the aluminum phosphate-sulfate (APS) minerals woodhouseite and svanbergite in one sample from these dickite-bearing argillic selvages. Reflectance spectroscopy determined that the outer edges of the selvages contain more dickite than do the medial regions. The quartz + dickite ?? kaolinite ?? APS-mineral selvages demonstrate that fracture control of replacement processes is more prevalent away from the advanced argillic core zones. Although not exposed at the White Horse deposit, pyrophyllite ?? ordered illite was identified

  7. Electrochemical and Spectroscopic Evidence on the One-Electron Reduction of U(VI) to U(V) on Magnetite

    SciTech Connect

    Yuan, Ke; Ilton, Eugene S.; Antonio, Mark R.; Li, Zhongrui; Cook, Peter J.; Becker, Udo

    2015-05-19

    Reduction of U(VI) to U(VI) on mineral surfaces is often considered a one-step two-electron process. However, stabilized U(V), with no evidence of U(IV), found in recent studies Indicates U(VI) can undergo a one-electron reduction to U(V) without further progression to U(VI),. We investigated reduction pathways of uranium by reducing U(VI) electrochemically on a, magnetite electrode at,pH 3.4. Cyclic voltammetry confirms the one-electron reduction of U(VI) . Formation of nanosize uranium precipitates on the magnetite surface at reducing potentials and dissolution of the solids at oxidizing potentials are observed by in situ electrochemical atomic force microscopy. XPS, analysis Of the magnetite electrodes polarized in uranium solutions at voltages - from -0.1 to -0.9 V (E-U(VI)/U(V)(0)= -0.135 V vs Ag/AgCl) show the presence of, only U(V) and U(VI). The sample with the highest U(V)/U(VI) ratio was prepared at -0.7 V, where the longest average U-O-axial distance of 2.05 + 0.01 A was evident in the same sample revealed by extended X-ray absorption fine structure analysis. The results demonstrate that the electrochemical reduction of U(VI) On magnetite only yields,U(V), even at a potential of -0.9 V, which favors the one-electron reduction mechanism, U(V) does not disproportionate but stabilizes on magnetite through precipitation Of mixed-valence state -U(V)/U(VI) solids.

  8. Electrochemical and spectroscopic evidence on the one-electron reduction of U(VI) to U(V) on magnetite

    SciTech Connect

    Yuan, Ke; Ilton, Eugene S.; Antonio, Mark R.; Li, Zhongrui; Cook, Peter J.; Becker, Udo

    2015-05-19

    Reduction of U(VI) to U(IV) on mineral surfaces has been considered as a one-step two electron process. However, stabilized U(V), with no evidence of U(IV), found in recent studies indicates U(VI) can undergo a one electron reduction to U(V) without further progression to U(IV). We investigated the mechanisms of uranium reduction by reducing U(VI) electrochemically on a magnetite electrode at pH 3.4 . The one electron reduction of U(VI) was first confirmed using the cyclic voltammetry method. Formation of nano-size uranium precipitates on the surface of magnetite at reducing potentials and dissolution of the solids at oxidizing potentials were observed by in situ electrochemical AFM. XPS analysis of the magnetite electrodes polarized in uranium solutions at voltages from 0.1 ~ 0.9 V (vs. Ag/AgCl) showed the presence of only U(V) and U(VI). The highest amount of U(V) relative to U(VI) was prepared at 0.7 V, where the longest average U–Oaxial distance of 2.05 ± 0.01 Å was evident in the same sample revealed by EXAFS analysis. The results demonstrate that the electrochemical reduction of U(VI) on magnetite only yields U(V), even at a potential of 0.9 V, which favors the one-electron reduction mechanism. U(V) did not disproportionate but stabilized on magnetite through precipitation of mixed-valence state U(VI)/U(V) solids.

  9. Electrochemical and Spectroscopic Evidence on the One-Electron Reduction of U(VI) to U(V) on Magnetite.

    PubMed

    Yuan, Ke; Ilton, Eugene S; Antonio, Mark R; Li, Zhongrui; Cook, Peter J; Becker, Udo

    2015-05-19

    Reduction of U(VI) to U(IV) on mineral surfaces is often considered a one-step two-electron process. However, stabilized U(V), with no evidence of U(IV), found in recent studies indicates U(VI) can undergo a one-electron reduction to U(V) without further progression to U(IV). We investigated reduction pathways of uranium by reducing U(VI) electrochemically on a magnetite electrode at pH 3.4. Cyclic voltammetry confirms the one-electron reduction of U(VI) to U(V). Formation of nanosize uranium precipitates on the magnetite surface at reducing potentials and dissolution of the solids at oxidizing potentials are observed by in situ electrochemical atomic force microscopy. XPS analysis of the magnetite electrodes polarized in uranium solutions at voltages from -0.1 to -0.9 V (E(0)(U(VI)/U(V))= -0.135 V vs Ag/AgCl) show the presence of only U(V) and U(VI). The sample with the highest U(V)/U(VI) ratio was prepared at -0.7 V, where the longest average U-O(axial) distance of 2.05 ± 0.01 Å was evident in the same sample revealed by extended X-ray absorption fine structure analysis. The results demonstrate that the electrochemical reduction of U(VI) on magnetite only yields U(V), even at a potential of -0.9 V, which favors the one-electron reduction mechanism. U(V) does not disproportionate but stabilizes on magnetite through precipitation of mixed-valence state U(V)/U(VI) solids.

  10. Spectroscopic Evidence of the Improvement of Reactive Iron Mineral Content in Red Soil by Long-Term Application of Swine Manure

    PubMed Central

    Huang, Chichao; Liu, Sha; Li, Ruizhi; Sun, Fusheng; Zhou, Ying; Yu, Guanghui

    2016-01-01

    Mineral elements in soil solutions are thought to be the precursor of the formation of reactive minerals, which play an important role in global carbon (C) cycling. However, information regarding the regulation of mineral elements release in soil is scarce. Here, we examined the long-term (i.e., 23 yrs) effects of fertilisation practices on Fe minerals in a red soil in Southern China. The results from chemical analysis and Fourier-transform infrared spectroscopy showed that long-term swine manure (M) treatment released greater amounts of minerals into soil solutions than chemical fertilisers (NPK) treatment, and Fe played a dominant role in the preservation of dissolved organic C. Furthermore, Fe K-edge X-ray absorption near-edge fine structure spectroscopy demonstrated that reactive Fe minerals were mainly composed of less crystalline ferrihydrite in the M-treated soil and more crystalline goethite in the NPK-treated soil. In conclusion, this study reported spectroscopic evidence of the improvement of reactive Femineral content in the M-treated soil colloids when compared to NPK-treated soil colloids. PMID:26752419

  11. The purple Codex Rossanensis: spectroscopic characterisation and first evidence of the use of the elderberry lake in a sixth century manuscript.

    PubMed

    Bicchieri, Marina

    2014-12-01

    This paper presents the results obtained during the measurements campaign started in June 2012 and ended in November 2013 on the invaluable purple Codex Rossanensis, sixth century, one of the oldest surviving illuminated manuscripts of the New Testament. The tasks of the chemistry laboratory were to answer a variety of questions posed both by historians and restorers, concerning the materials used in a previous restoration, the composition of the pictorial palette and the different inks and to determine which colouring material had been applied to dye the parchment support. It was also requested to determine the state of preservation of the manuscript, as a result of its interactions with the environment in which the manuscript had been stored and the vicissitudes experienced during its life (fire, previous restoration, exhibition). The spectroscopic analyses performed by micro-Raman, micro-Fourier transform infrared and X-ray fluorescence allowed to fill a gap in the knowledge of the pictorial materials used in the Early Middle Ages. The pictorial palette, the inks, the dye applied to obtain the purple parchments, the support and the materials used in the previous restoration treatment executed in 1917-19 were fully characterised. Moreover, to the author's knowledge, the article shows the first experimental evidence of the use of the elderberry lake in a sixth century-illuminated manuscript. The lake was characterised by Raman spectroscopy.

  12. Spectroscopic evidence for negative electronic compressibility in a quasi-three-dimensional spin–orbit correlated metal

    SciTech Connect

    He, Junfeng; Hogan, T.; Mion, Thomas R.; Hafiz, H.; He, Y.; Denlinger, J. D.; Mo, S-K.; Dhital, C.; Chen, X.; Lin, Qisen; Zhang, Y.; Hashimoto, M.; Pan, H.; Lu, D. H.; Arita, M.; Shimada, K.; Markiewicz, R. S.; Wang, Z.; Kempa, K.; Naughton, M. J.; Bansil, A.; Wilson, S. D.; He, Rui-Hua

    2015-04-27

    Negative compressibility is a sign of thermodynamic instability of open1, 2, 3 or non-equilibrium4, 5 systems. In quantum materials consisting of multiple mutually coupled subsystems, the compressibility of one subsystem can be negative if it is countered by positive compressibility of the others. Manifestations of this effect have so far been limited to low-dimensional dilute electron systems6, 7, 8, 9, 10, 11. Here, we present evidence from angle-resolved photoemission spectroscopy (ARPES) for negative electronic compressibility (NEC) in the quasi-three-dimensional (3D) spin–orbit correlated metal (Sr1-xLax)3Ir2O7. Increased electron filling accompanies an anomalous decrease of the chemical potential, as indicated by the overall movement of the deep valence bands. Such anomaly, suggestive of NEC, is shown to be primarily driven by the lowering in energy of the conduction band as the correlated bandgap reduces. Our finding points to a distinct pathway towards an uncharted territory of NEC featuring bulk correlated metals with unique potential for applications in low-power nanoelectronics and novel metamaterials.

  13. Spectroscopic evidence for negative electronic compressibility in a quasi-three-dimensional spin-orbit correlated metal.

    PubMed

    He, Junfeng; Hogan, T; Mion, Thomas R; Hafiz, H; He, Y; Denlinger, J D; Mo, S-K; Dhital, C; Chen, X; Lin, Qisen; Zhang, Y; Hashimoto, M; Pan, H; Lu, D H; Arita, M; Shimada, K; Markiewicz, R S; Wang, Z; Kempa, K; Naughton, M J; Bansil, A; Wilson, S D; He, Rui-Hua

    2015-06-01

    Negative compressibility is a sign of thermodynamic instability of open or non-equilibrium systems. In quantum materials consisting of multiple mutually coupled subsystems, the compressibility of one subsystem can be negative if it is countered by positive compressibility of the others. Manifestations of this effect have so far been limited to low-dimensional dilute electron systems. Here, we present evidence from angle-resolved photoemission spectroscopy (ARPES) for negative electronic compressibility (NEC) in the quasi-three-dimensional (3D) spin-orbit correlated metal (Sr1-xLax)3Ir2O7. Increased electron filling accompanies an anomalous decrease of the chemical potential, as indicated by the overall movement of the deep valence bands. Such anomaly, suggestive of NEC, is shown to be primarily driven by the lowering in energy of the conduction band as the correlated bandgap reduces. Our finding points to a distinct pathway towards an uncharted territory of NEC featuring bulk correlated metals with unique potential for applications in low-power nanoelectronics and novel metamaterials.

  14. 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.

  15. Hubble Space Telescope Spectroscopic Evidence for a 1 X 10 9 Msun Black Hole in NGC 4594

    NASA Astrophysics Data System (ADS)

    Kormendy, John; Bender, Ralf; Ajhar, Edward A.; Dressler, Alan; Faber, S. M.; Gebhardt, Karl; Grillmair, Carl; Lauer, Tod R.; Richstone, Douglas; Tremaine, Scott

    1996-12-01

    The discovery by Kormendy of a M• ~= 109 Msolar massive dark object (MDO) in NGC 4594 is confirmed with higher resolution spectroscopy from the Canada-France-Hawaii Telescope (CFHT) and the Hubble Space Telescope (HST). CFHT measurements with the Subarcsecond Imaging Spectrograph improve the resolution from sigma * = 0."40 to 0."27 Gaussian dispersion radius of the point-spread function (PSF). The apparent central velocity dispersion rises from sigma = 250 +/- 7 km s-1 to sigma = 286 +/- 7 km s-1. As observed with the COSTAR-corrected HST, the Faint Object Spectrograph, and a 0."21 aperture, sigma = 321 +/- 7 km s-1 is still higher, and the central rotation curve is very steep. The highest-M• published dynamical model fits the new observations reasonably well when "observed" at HST resolution. The spatial resolution has now improved by a factor of ~5 since the discovery measurements, and the case for a black hole (BH) has strengthened correspondingly. We confirm that NGC 4594 has a Seyfert spectrum; H alpha is ~5200 km s-1 wide at zero intensity. However, gas velocities are lower than the circular velocities implied by the stars, so they cannot be used to test the BH case in NGC 4594. The gas may be in a ring, or it may be associated with patchy dust. HST images with the Wide Field and Planetary Camera 2 show dust at some aperture positions. NGC 4594 appears to have a bright point nucleus. However, the central absorption-line strengths are low, consistent with dilution by enough nonthermal light to explain the "nucleus." There is no evidence for a distinct nuclear star cluster. NGC 4594 is similar to M87, which also has a nonthermal nuclear source, and not to M31 and NGC 3115, which have quiescent BHs and nuclear star clusters.

  16. Spectroscopic evidence for an engineered, catalytically active Trp radical that creates the unique reactivity of lignin peroxidase

    PubMed Central

    Smith, Andrew T.; Doyle, Wendy A.; Dorlet, Pierre; Ivancich, Anabella

    2009-01-01

    The surface oxidation site (Trp-171) in lignin peroxidase (LiP) required for the reaction with veratryl alcohol a high-redox-potential (1.4 V) substrate, was engineered into Coprinus cinereus peroxidase (CiP) by introducing a Trp residue into a heme peroxidase that has similar protein fold but lacks this activity. To create the catalytic activity toward veratryl alcohol in CiP, it was necessary to reproduce the Trp site and its negatively charged microenvironment by means of a triple mutation. The resulting D179W+R258E+R272D variant was characterized by multifrequency EPR spectroscopy. The spectra unequivocally showed that a new Trp radical [g values of gx = 2.0035(5), gy = 2.0027(5), and gz = 2.0022(1)] was formed after the [Fe(IV)=O Por•+] intermediate, as a result of intramolecular electron transfer between Trp-179 and the porphyrin. Also, the EPR characterization crucially showed that [Fe(IV)=O Trp-179•] was the reactive intermediate with veratryl alcohol. Accordingly, our work shows that it is necessary to take into account the physicochemical properties of the radical, fine-tuned by the microenvironment, as well as those of the preceding [Fe(IV)=O Por•+] intermediate to engineer a catalytically competent Trp site for a given substrate. Manipulation of the microenvironment of the Trp-171 site in LiP allowed the detection by EPR spectroscopy of the Trp-171•, for which direct evidence has been missing so far. Our work also highlights the role of Trp residues as tunable redox-active cofactors for enzyme catalysis in the context of peroxidases with a unique reactivity toward recalcitrant substrates that require oxidation potentials not realized at the heme site. PMID:19805263

  17. Spectroscopic evidence for Fe(II)-Fe(III) electron transfer at clay mineral edge and basal sites.

    PubMed

    Neumann, Anke; Olson, Tyler L; Scherer, Michelle M

    2013-07-02

    Despite the importance of Fe redox cycling in clay minerals, the mechanism and location of electron transfer remain unclear. More specifically, there is some controversy whether electron transfer can occur through both basal and edge surfaces. Here we used Mössbauer spectroscopy combined with selective chemical extractions to study electron transfer from Fe(II) sorbed to basal planes and edge OH-groups of clay mineral NAu-1. Fe(II) sorbed predominantly to basal planes at pH values below 6.0 and to edge OH-groups at pH value 7.5. Significant electron transfer occurred from edge OH-group bound Fe(II) at pH 7.5, whereas electron transfer from basal plane-sorbed Fe(II) to structural Fe(III) in clay mineral NAu-1 at pH 4.0 and 6.0 occurred but to a much lower extent than from edge-bound Fe(II). Mössbauer hyperfine parameters for Fe(II)-reacted NAu-1 at pH 7.5 were consistent with structural Fe(II), whereas values found at pH 4.0 and 6.0 were indicative of binding environments similar to basal plane-sorbed Fe(II). Reference experiments with Fe-free synthetic montmorillonite SYn-1 provided supporting evidence for the assignment of the hyperfine parameters to Fe(II) bound to basal planes and edge OH-groups. Our findings demonstrate that electron transfer to structural Fe in clay minerals can occur from Fe(II) sorbed to both basal planes and edge OH-groups. These findings require us to reassess the mechanisms of abiotic and microbial Fe reduction in clay minerals as well as the importance of Fe-bearing clay minerals as a renewable source of redox equivalents in subsurface environments.

  18. Spectroscopic evidence for an engineered, catalytically active Trp radical that creates the unique reactivity of lignin peroxidase.

    PubMed

    Smith, Andrew T; Doyle, Wendy A; Dorlet, Pierre; Ivancich, Anabella

    2009-09-22

    The surface oxidation site (Trp-171) in lignin peroxidase (LiP) required for the reaction with veratryl alcohol a high-redox-potential (1.4 V) substrate, was engineered into Coprinus cinereus peroxidase (CiP) by introducing a Trp residue into a heme peroxidase that has similar protein fold but lacks this activity. To create the catalytic activity toward veratryl alcohol in CiP, it was necessary to reproduce the Trp site and its negatively charged microenvironment by means of a triple mutation. The resulting D179W+R258E+R272D variant was characterized by multifrequency EPR spectroscopy. The spectra unequivocally showed that a new Trp radical [g values of g(x) = 2.0035(5), g(y) = 2.0027(5), and g(z) = 2.0022(1)] was formed after the [Fe(IV)=O Por(*+)] intermediate, as a result of intramolecular electron transfer between Trp-179 and the porphyrin. Also, the EPR characterization crucially showed that [Fe(IV)=O Trp-179(*)] was the reactive intermediate with veratryl alcohol. Accordingly, our work shows that it is necessary to take into account the physicochemical properties of the radical, fine-tuned by the microenvironment, as well as those of the preceding [Fe(IV)=O Por(*+)] intermediate to engineer a catalytically competent Trp site for a given substrate. Manipulation of the microenvironment of the Trp-171 site in LiP allowed the detection by EPR spectroscopy of the Trp-171(*), for which direct evidence has been missing so far. Our work also highlights the role of Trp residues as tunable redox-active cofactors for enzyme catalysis in the context of peroxidases with a unique reactivity toward recalcitrant substrates that require oxidation potentials not realized at the heme site.

  19. Spectroscopic and Kinetic Evidence for the Crucial Role of Compound 0 in the P450cam -Catalyzed Hydroxylation of Camphor by Hydrogen Peroxide.

    PubMed

    Franke, Alicja; van Eldik, Rudi

    2015-10-19

    The hydroperoxo iron(III) intermediate P450cam Fe(III) -OOH, being the true Compound 0 (Cpd 0) involved in the natural catalytic cycle of P450cam , could be transiently observed in the peroxo-shunt oxidation of the substrate-free enzyme by hydrogen peroxide under mild basic conditions and low temperature. The prolonged lifetime of Cpd 0 enabled us to kinetically examine the formation and reactivity of P450cam Fe(III) -OOH species as a function of varying reaction conditions, such as pH, and concentration of H2 O2 , camphor, and potassium ions. The mechanism of hydrogen peroxide binding to the substrate-free form of P450cam differs completely from that observed for other heme proteins possessing the distal histidine as a general acid-base catalyst and is mainly governed by the ability of H2 O2 to undergo deprotonation at the hydroxo ligand coordinated to the iron(III) center under conditions of pH≥p${K{{{\\rm P450}\\hfill \\atop {\\rm a}\\hfill}}}$. Notably, no spectroscopic evidence for the formation of either Cpd I or Cpd II as products of heterolytic or homolytic OO bond cleavage, respectively, in Cpd 0 could be observed under the selected reaction conditions. The kinetic data obtained from the reactivity studies involving (1R)-camphor, provide, for the first time, experimental evidence for the catalytic activity of the P450Fe(III) -OOH intermediate in the oxidation of the natural substrate of P450cam . © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Predictive model for Pb(II) adsorption on soil minerals (oxides and low-crystalline aluminum silicate) consistent with spectroscopic evidence

    NASA Astrophysics Data System (ADS)

    Usiyama, Tomoki; Fukushi, Keisuke

    2016-10-01

    Mobility of Pb(II) in surface condition is governed by adsorption processes on soil minerals such as iron oxides and low-crystalline aluminum silicates. The adsorption effectiveness and the surface complex structures of Pb(II) vary sensitively with solution conditions such as pH, ionic strength, Pb(II) loading, and electrolyte anion type. This study was undertaken to construct a quantitative model for Pb(II) on soil minerals. It can predict the adsorption effectiveness and surface complex structures under any solution conditions using the extended triple layer model (ETLM). The Pb(II) adsorption data for goethite, hydrous ferric oxide (HFO), quartz, and low-crystalline aluminum silicate (LCAS) were analyzed with ETLM to retrieve the surface complexation reactions and these equilibrium constants. The adsorption data on goethite, HFO and quartz were referred from reports of earlier studies. Those data for LCAS were measured under a wide range of pH, ionic strength and Pb(II) loadings in NaNO3 and NaCl solutions. All adsorption data can be reasonably regressed using ETLM with the assumptions of inner sphere bidentate complexation and inner sphere monodentate ternary complexation with electrolyte anions, which are consistent with previously reported spectroscopic evidence. Predictions of surface speciation under widely various solution conditions using ETLM revealed that the inner sphere bidentate complex is the predominant species at neutral to high pH conditions. The inner sphere monodentate ternary complex becomes important at low pH, high surface Pb(II) coverage, and high electrolyte concentrations, of which the behavior is consistent with the spectroscopic observation. Comparisons of the obtained adsorption constants on goethite, HFO and quartz exhibited good linear relations between the reciprocals of dielectric constants of solids and adsorption constants. Those linear relations support predictions of the adsorption constants of all oxides based on Born

  1. 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.

  2. Supergene destruction of a hydrothermal replacement alunite deposit at Big Rock Candy Mountain, Utah: Mineralogy, spectroscopic remote sensing, stable-isotope, and argon-age evidences

    USGS Publications Warehouse

    Cunningham, C.G.; Rye, R.O.; Rockwell, B.W.; Kunk, M.J.; Councell, T.B.

    2005-01-01

    Big Rock Candy Mountain is a prominent center of variegated altered volcanic rocks in west-central Utah. It consists of the eroded remnants of a hypogene alunite deposit that, at ???21 Ma, replaced intermediate-composition lava flows. The alunite formed in steam-heated conditions above the upwelling limb of a convection cell that was one of at least six spaced at 3- to 4-km intervals around the margin of a monzonite stock. Big Rock Candy Mountain is horizontally zoned outward from an alunite core to respective kaolinite, dickite, and propylite envelopes. The altered rocks are also vertically zoned from a lower pyrite-propylite assemblage upward through assemblages successively dominated by hypogene alunite, jarosite, and hematite, to a flooded silica cap. This hydrothermal assemblage is undergoing natural destruction in a steep canyon downcut by the Sevier River in Marysvale Canyon. Integrated geological, mineralogical, spectroscopic remote sensing using AVIRIS data, Ar radiometric, and stable isotopic studies trace the hypogene origin and supergene destruction of the deposit and permit distinction of primary (hydrothermal) and secondary (weathering) processes. This destruction has led to the formation of widespread supergene gypsum in cross-cutting fractures and as surficial crusts, and to natrojarosite, that gives the mountain its buff coloration along ridges facing the canyon. A small spring, Lemonade Spring, with a pH of 2.6 and containing Ca, Mg, Si, Al, Fe, Mn, Cl, and SO4, also occurs near the bottom of the canyon. The 40Ar/39 Ar age (21.32??0.07 Ma) of the alunite is similar to that for other replacement alunites at Marysvale. However, the age spectrum contains evidence of a 6.6-Ma thermal event that can be related to the tectonic activity responsible for the uplift that led to the downcutting of Big Rock Candy Mountain by the Sevier River. This ???6.6 Ma event also is present in the age spectrum of supergene natrojarosite forming today, and probably dates

  3. SPECTROSCOPIC STUDY OF STAR-FORMING GALAXIES IN FILAMENTS AND THE FIELD AT z ∼ 0.5: EVIDENCE FOR ENVIRONMENTAL DEPENDENCE OF ELECTRON DENSITY

    SciTech Connect

    Darvish, Behnam; Mobasher, Bahram; Hemmati, Shoubaneh; Shivaei, Irene; Sobral, David; Nayyeri, Hooshang

    2015-12-01

    We study the physical properties of a spectroscopic sample of 28 star-forming galaxies in a large filamentary structure in the COSMOS field at z ∼ 0.53, with spectroscopic data taken with the Keck/DEIMOS spectrograph, and compare them with a control sample of 30 field galaxies. We spectroscopically confirm the presence of a large galaxy filament (∼8 Mpc), along which five confirmed X-ray groups exist. We show that within the uncertainties, the ionization parameter, equivalent width (EW), EW versus specific star-formation rate (sSFR) relation, EW versus stellar mass relation, line-of-sight velocity dispersion, dynamical mass, and stellar-to-dynamical mass ratio are similar for filament and field star-forming galaxies. However, we show that, on average, filament star-forming galaxies are more metal enriched (∼0.1–0.15 dex), possibly owing to the inflow of the already-enriched intrafilamentary gas into filament galaxies. Moreover, we show that electron densities are significantly lower (a factor of ∼17) in filament star-forming systems compared to those in the field, possibly because of a longer star-formation timescale for filament star-forming galaxies. Our results highlight the potential pre-processing role of galaxy filaments and intermediate-density environments on the evolution of galaxies, which has been highly underestimated.

  4. Spectroscopic Study of Star-forming Galaxies in Filaments and the Field at z~0.5: Evidence for Environmental Dependence of Electron Density

    NASA Astrophysics Data System (ADS)

    Darvish, Behnam; Mobasher, Bahram; Sobral, David; Hemmati, Shoubaneh; Nayyeri, Hooshang; Shivaei, Irene

    2016-01-01

    We study the physical properties of a spectroscopic sample of 28 star-forming galaxies in a large filamentary structure in the COSMOS field at z~0.53, with spectroscopic data taken with the Keck/DEIMOS spectrograph, and compare them with a control sample of 30 field galaxies. We spectroscopically confirm the presence of a large galaxy filament (~ 8 Mpc), along which five confirmed X-ray groups exist. We show that within the uncertainties, the ionization parameter, equivalent width (EW), EW versus specific star-formation rate (sSFR) relation, EW versus stellar mass relation, line-of-sight velocity dispersion, dynamical mass, and stellar-to-dynamical mass ratio are similar for filament and field star-forming galaxies. However, we show that on average, filament star-forming galaxies are more metal-enriched (~ 0.1-0.15 dex), possibly due to the inflow of the already enriched intrafilamentary gas into filament galaxies. Moreover, we show that electron densities are significantly lower (a factor of ~17) in filament star-forming systems compared to those in the field, possibly because of a longer star-formation timescale for filament star-forming galaxies. Our results highlight the potential pre-processing role of galaxy filaments and intermediate-density environments on the evolution of galaxies, which has been highly underestimated.

  5. Spectroscopic Study of Star-forming Galaxies in Filaments and the Field at z ~ 0.5: Evidence for Environmental Dependence of Electron Density

    NASA Astrophysics Data System (ADS)

    Darvish, Behnam; Mobasher, Bahram; Sobral, David; Hemmati, Shoubaneh; Nayyeri, Hooshang; Shivaei, Irene

    2015-12-01

    We study the physical properties of a spectroscopic sample of 28 star-forming galaxies in a large filamentary structure in the COSMOS field at z ˜ 0.53, with spectroscopic data taken with the Keck/DEIMOS spectrograph, and compare them with a control sample of 30 field galaxies. We spectroscopically confirm the presence of a large galaxy filament (˜8 Mpc), along which five confirmed X-ray groups exist. We show that within the uncertainties, the ionization parameter, equivalent width (EW), EW versus specific star-formation rate (sSFR) relation, EW versus stellar mass relation, line-of-sight velocity dispersion, dynamical mass, and stellar-to-dynamical mass ratio are similar for filament and field star-forming galaxies. However, we show that, on average, filament star-forming galaxies are more metal enriched (˜0.1-0.15 dex), possibly owing to the inflow of the already-enriched intrafilamentary gas into filament galaxies. Moreover, we show that electron densities are significantly lower (a factor of ˜17) in filament star-forming systems compared to those in the field, possibly because of a longer star-formation timescale for filament star-forming galaxies. Our results highlight the potential pre-processing role of galaxy filaments and intermediate-density environments on the evolution of galaxies, which has been highly underestimated.

  6. Coulometric and spectroscopic analysis of the purified cytochrome d complex of Escherichia coli: evidence for the identification of "cytochrome a1" as cytochrome b595.

    PubMed

    Lorence, R M; Koland, J G; Gennis, R B

    1986-05-06

    Coulometric and spectroscopic analyses were performed on the three cytochrome components (cytochrome d, cytochrome b558, and the cytochrome previously described as cytochrome a1) of the purified cytochrome d complex, a terminal oxidase of the Escherichia coli aerobic respiratory chain. On the basis of heme extraction, spectroscopic, and coulometric data, the "cytochrome a1" component was identified as a b-type cytochrome: cytochrome b595. The pyridine hemochromogen technique revealed the presence of two molecules of protoheme IX per cytochrome d complex. This quantity of protoheme IX fully accounted for the sum of the cytochrome b558 and cytochrome b595 components as determined coulometrically. The renaming of cytochrome a1 as cytochrome b595 was further indicated by the lack of any heme a in the complex and by its resolved reduced-minus-oxidized spectrum. The latter was found to be similar to that of cytochrome c peroxidase, which contains protoheme IX. Coulometric titrations and carbon monoxide binding titrations revealed that there are two molecules of cytochrome d per complex. A convenient measurement of the amount of cytochrome b558 was found to be the beta-band at 531 nm since cytochrome b558 was observed to be the only component of the cytochrome d complex with a peak at this wavelength. By use of this method and the extinction coefficient for the purified cytochrome b558, it was estimated that there is one molecule of cytochrome b595 and one of cytochrome b558 per cytochrome complex.

  7. Evidence of iso-structural phase transition in high pressure Raman spectroscopic studies of CaCu3Ti4O12

    NASA Astrophysics Data System (ADS)

    Tyagi, Shekhar; Sharma, Gaurav; Sathe, V. G.

    2017-02-01

    High pressure Raman spectroscopic studies on Polycrystalline CaCu3Ti4O12 and SrCu3Ti4O12 compounds are carried out in order to validate the theoretical predictions of a structural transformation near 3-4 GPa and an insulator to metal transition above 7 GPa [S. B. Fagan et al., Phys. Rev. B 72, 014106 (2005)]. Our studies showed normal hardening and broadening of peaks with increasing pressure up to 20 GPa besides a discontinuity between 8 and 9 GPa which is attributed to an isostructural phase transition. The Ag(1) peak occurring at 442 cm-1 showed asymmetric Fano lineshape and the lineshape parameter 'q' shows an increase with increasing pressure. This is completely against the theoretical predictions of an insulator to metal transition above 7 GPa.

  8. Non-covalent interactions of nitrous oxide with aromatic compounds: Spectroscopic and computational evidence for the formation of 1:1 complexes

    SciTech Connect

    Cao, Qian; Gor, Gennady Y.; Krogh-Jespersen, Karsten; Khriachtchev, Leonid

    2014-04-14

    We present the first study of intermolecular interactions between nitrous oxide (N{sub 2}O) and three representative aromatic compounds (ACs): phenol, cresol, and toluene. The infrared spectroscopic experiments were performed in a Ne matrix and were supported by high-level quantum chemical calculations. Comparisons of the calculated and experimental vibrational spectra provide direct identification and characterization of the 1:1 N{sub 2}O-AC complexes. Our results show that N{sub 2}O is capable of forming non-covalently bonded complexes with ACs. Complex formation is dominated by dispersion forces, and the interaction energies are relatively low (about −3 kcal mol{sup −1}); however, the complexes are clearly detected by frequency shifts of the characteristic bands. These results suggest that N{sub 2}O can be bound to the amino-acid residues tyrosine or phenylalanine in the form of π complexes.

  9. Spectroscopic and X-ray crystallographic evidence for electrostatic effects in 4-substituted cyclohexanone-derived hydrazones, imines, and corresponding salts.

    PubMed

    Dibble, David J; Ziller, Joseph W; Woerpel, K A

    2011-10-07

    The axial conformer of several 4-substituted cyclohexanone hydrazone salts was found to predominate in solution. Changes in the charge of the molecule and the polarity of the solvent led to changes in the conformational preference of each molecule that were consistent with electrostatic stabilization of the axial conformer. (1)H NMR spectroscopic analysis was utilized to determine the structure of cyclohexanone-derived substrates by comparison to conformationally restricted trans-decalone derivatives and computational models. X-ray crystallography demonstrated that the axial configuration of a pendant benzyloxy group is the preferred conformation of an iminium ion in the solid state. The structure of a neutral hydrazone was also determined to favor the axial configuration for a pendant benzyloxy group in the solid state.

  10. Spectroscopic, Electrochemical and Computational Characterisation of Ru Species Involved in Catalytic Water Oxidation: Evidence for a [Ru(V) (O)(Py2 (Me) tacn)] Intermediate.

    PubMed

    Casadevall, Carla; Codolà, Zoel; Costas, Miquel; Lloret-Fillol, Julio

    2016-07-11

    A new family of ruthenium complexes based on the N-pentadentate ligand Py2 (Me) tacn (N-methyl-N',N''-bis(2-picolyl)-1,4,7-triazacyclononane) has been synthesised and its catalytic activity has been studied in the water-oxidation (WO) reaction. We have used chemical oxidants (ceric ammonium nitrate and NaIO4 ) to generate the WO intermediates [Ru(II) (OH2 )(Py2 (Me) tacn)](2+) , [Ru(III) (OH2 )(Py2 (Me) tacn)](3+) , [Ru(III) (OH)(Py2 (Me) tacn)](2+) and [Ru(IV) (O)(Py2 (Me) tacn)](2+) , which have been characterised spectroscopically. Their relative redox and pH stability in water has been studied by using UV/Vis and NMR spectroscopies, HRMS and spectroelectrochemistry. [Ru(IV) (O)(Py2 (Me) tacn)](2+) has a long half-life (>48 h) in water. The catalytic cycle of WO has been elucidated by using kinetic, spectroscopic, (18) O-labelling and theoretical studies, and the conclusion is that the rate-determining step is a single-site water nucleophilic attack on a metal-oxo species. Moreover, [Ru(IV) (O)(Py2 (Me) tacn)](2+) is proposed to be the resting state under catalytic conditions. By monitoring Ce(IV) consumption, we found that the O2 evolution rate is redox-controlled and independent of the initial concentration of Ce(IV) . Based on these facts, we propose herein that [Ru(IV) (O)(Py2 (Me) tacn)](2+) is oxidised to [Ru(V) (O)(Py2 (Me) tacn)](2+) prior to attack by a water molecule to give [Ru(III) (OOH)(Py2 (Me) tacn)](2+) . Finally, it is shown that the difference in WO reactivity between the homologous iron and ruthenium [M(OH2 )(Py2 (Me) tacn)](2+) (M=Ru, Fe) complexes is due to the difference in the redox stability of the key M(V) (O) intermediate. These results contribute to a better understanding of the WO mechanism and the differences between iron and ruthenium complexes in WO reactions.

  11. Spectroscopic Studies of the EutT Adenosyltransferase from Salmonella enterica: Evidence of a Tetrahedrally Coordinated Divalent Transition Metal Cofactor with Cysteine Ligation.

    PubMed

    Pallares, Ivan G; Moore, Theodore C; Escalante-Semerena, Jorge C; Brunold, Thomas C

    2017-01-17

    The EutT enzyme from Salmonella enterica, a member of the family of ATP:cobalt(I) corrinoid adenosyltransferase (ACAT) enzymes, requires a divalent transition metal ion for catalysis, with Fe(II) yielding the highest activity. EutT contains a unique cysteine-rich HX11CCX2C(83) motif (where H and the last C occupy the 67th and 83rd positions, respectively, in the amino acid sequence) not found in other ACATs and employs an unprecedented mechanism for the formation of adenosylcobalamin. Recent kinetic and spectroscopic studies of this enzyme revealed that residues in the HX11CCX2C(83) motif are required for the tight binding of the divalent metal ion and are critical for the formation of a four-coordinate (4c) cob(II)alamin [Co(II)Cbl] intermediate in the catalytic cycle. However, it remained unknown which, if any, of the residues in the HX11CCX2C(83) motif bind the divalent metal ion. To address this issue, we have characterized Co(II)-substituted wild-type EutT (EutT(WT)/Co) by using electronic absorption, electron paramagnetic resonance, and magnetic circular dichroism (MCD) spectroscopies. Our results indicate that the reduced catalytic activity of EutT(WT)/Co relative to that of the Fe(II)-containing enzyme arises from the incomplete incorporation of Co(II) ions and, thus, a decrease in the relative population of 4c Co(II)Cbl. Our MCD data for EutT(WT)/Co also reveal that the Co(II) ions reside in a distorted tetrahedral coordination environment with direct cysteine sulfur ligation. Additional spectroscopic studies of EutT/Co variants possessing a single alanine substitution of either His67, His75, Cys79, Cys80, or Cys83 indicate that Cys80 coordinates to the Co(II) ion, while the additional residues are important for maintaining the structural integrity and/or high affinity of the metal binding site.

  12. Scanning tunneling spectroscopic evidence for a magnetic field-revealed microscopic order in the high-TC superconductor YBa2Cu3O7-δ

    NASA Astrophysics Data System (ADS)

    Beyer, A. D.; Grinolds, M. S.; Teague, M. L.; Yeh, N.-C.; Tajima, S.

    2009-03-01

    We present spatially resolved scanning tunneling spectroscopic measurements of YBa2Cu3O7-δ as a function of magnetic field and at T<

  13. Spectroscopic evidence on improvement in complex formation of O2N2 aza-crown macrocyclic ligands with Cu(II) acetate upon incorporation with [60]Fullerene

    NASA Astrophysics Data System (ADS)

    Ghanbari, Bahram; Gholamnezhad, Parisa

    2016-12-01

    The present paper reports the spectroscopic investigations on the complexation of Cu(II) with two macrocyclic ligands bonded to [60]Fullerene (L1 and L2) measured in N-methylpyrrolidone (NMP) as solvent. On the basis of UV-vis-NIR spectroscopy applying Jobs method of continuous variation, typical 1:1 stoichiometries were established for the complexes of Cu(II) with L1, and L2. DFT calculations suggested that superior HOMO distributions spread over the nitrogen-donor (as well as somehow oxygen- donor in L2) groups of L1 and L2 macrocycles were the key factor for the observed Kb value enhancement. Thermodynamic stabilities for these complexes have also been determined employing Benesi-Hildebrand equation and the results were compared in terms of their calculated binding constants (Kb). These measurements showed that L1 and L2 bound to these cations stronger than their parent free macrocyclic ligands 1 and 2, respectively. Furthermore, Kb values found for L2 complexes revealed that it could coordinate Cu(II) cation better than L1. Thermodynamic parameters (ΔG, ∆ H, and - ΔS) derived from Van't Hoff equation showed that L1 and L2 coordination of Cu(II) cation were occurred due to both enthalpic and entropic factors while the coordination of Cu(II) with their parent macrocyclic ligands 1 and 2 only enjoyed from only enthalpic advantages.

  14. Calorimetric and spectroscopic evidence of chain-melting in smectic E and smectic A phases of 4-alkyl-4'-isothiocyanatobiphenyl (nTCB).

    PubMed

    Yamamura, Yasuhisa; Adachi, Takuya; Miyazawa, Takahito; Horiuchi, Katsuya; Sumita, Masato; Massalska-Arodź, Maria; Urban, Stanisław; Saito, Kazuya

    2012-08-02

    To confirm the molten state of the alkyl chain in soft crystalline phase, smectic E (SmE) phase, thermodynamic and spectroscopic analyses were performed on 4-n-alkyl-4'-isothiocyanatobiphenyl (nTCB, n: the number of carbon atoms in the alkyl group). DSC results of 11TCB and 12TCB, having extra smectic A phase besides smectic E phase, show that their chain-length dependence of entropies of transition (Δ(trs)S) from the ordered crystalline (OC) phase to the SmE phase matches the trend found for nTCB (n = 4-10), while no chain-length dependence is observed in Δ(trs)S at the SmE-to-SmA and SmA-to-isotropic liquid (IL) phase transitions in 11TCB and 12TCB. Temperature dependences of FT-IR spectra of six compounds (n = 2, 3, 5, 8, 10, and 12) were recorded. The CH stretching modes of the chain exhibited more pronounced change at the transition from the OC to the SmE phase than at the transition from the SmE phase to the IL or SmA phase. These results indicate that the alkyl chain is molten in the SmE phase as in IL. The disordering process of nTCB molecules from the OC to IL via anisotropic mesophases is discussed in terms of entropy.

  15. Emergence of charge-transfer-to-solvent band in the absorption spectra of hydrogen halides on ice nanoparticles: spectroscopic evidence for acidic dissociation.

    PubMed

    Oncák, Milan; Slavícek, Petr; Poterya, Viktoriya; Fárník, Michal; Buck, Udo

    2008-06-19

    Extensive ab initio calculations complemented by a photodissociation experiment at 193 nm elucidate the nature of hydrogen halide molecules bound on free ice nanoparticles. Electronic absorption spectra of small water clusters (up to 5 water molecules) and water clusters doped with hydrogen fluoride, hydrogen chloride and hydrogen bromide were calculated. The spectra were modeled at the time-dependent density functional (TDDFT) level of theory with the BHandHLYP functional using the reflection principle. We observe the emergence of a charge-transfer-to-solvent (CTTS) band in the absorption spectra upon the acidic dissociation of the hydrogen halides. The CTTS band provides a spectroscopically observable feature for the acidic dissociation. The calculated spectra were compared with our new experimental photodissociation data for larger water clusters doped with HCl and HBr. We conclude that HCl and HBr dissociate to a large extent on the surface of ice nanoparticles at temperatures near 120 K and photoactive products are formed. The acidic dissociation of HX leads to an enhancement by about 4 orders of magnitude of the HCl photolysis rate in the 200-300 nm region, which is potentially relevant for the halogen budget in the atmosphere.

  16. Theoretical and spectroscopic evidence for coordination ability of 3,3'-benzylidenedi-4-hydroxycoumarin. New neodymium (III) complex and its cytotoxic effect.

    PubMed

    Kostova, Irena; Trendafilova, Natasha; Momekov, Georgi

    2005-02-01

    Theoretical and spectroscopic studies of 3,3'-benzylidenedi-4-hydroxycoumarin (bhc) have been performed. B3LYP/6-31G* calculations reproduced the experimental molecular structure of bhc and showed two O-H...O asymmetrical intramolecular hydrogen bonds with O...O distances 2.638 and 2.696 A. The calculated Fukui functions and Molecular Electrostatic Potential for bhc and its deprotonated form, bhc(2-), predicted that the most probable reactive sites for electrophilic attack and hydrogen bonds are the carbonyl oxygens, followed by the hydroxyl oxygens. The coordination ability of 3,3'-benzylidenedi-4-hydroxycoumarin has been proved in a complexation reaction with neodymium (III) ion. The new neodymium (III) complex of bhc was studied by elemental analyses, conductivity and other physical properties, mass spectra, (1)H, (13)C NMR, UV-Vis and IR spectroscopy. The data obtained are in agreement with the metal:ligand ratio of 1:1, and the formula Nd(bhc(2-))(OH)(H(2)O), where bhc(2-)=C(25)H(14)O(6)(2-). The vibrational analysis of the neodymium (III) complex, free bhc, and its monomeric building block, 4-hydroxycoumarin, showed that in the Nd(III) complex the ligand coordinates to the metal ion through both deprotonated hydroxyl groups. The participation of both carbonyl groups in coordination to the metal ion was confirmed by the significant shift of nu(C=O) to lower wavenumber. The evaluation of the cytotoxic activity of the new Nd(III) complex on SKW-3 and HL-60/Dox cells revealed, that it is a potent cytotoxic agent and should be subset further to more detailed pharmacological and toxicological study.

  17. Evidence for the kinematic Sunyaev-Zel'dovich effect with the Atacama Cosmology Telescope and velocity reconstruction from the Baryon Oscillation Spectroscopic Survey

    NASA Astrophysics Data System (ADS)

    Schaan, Emmanuel; Ferraro, Simone; Vargas-Magaña, Mariana; Smith, Kendrick M.; Ho, Shirley; Aiola, Simone; Battaglia, Nicholas; Bond, J. Richard; De Bernardis, Francesco; Calabrese, Erminia; Cho, Hsiao-Mei; Devlin, Mark J.; Dunkley, Joanna; Gallardo, Patricio A.; Hasselfield, Matthew; Henderson, Shawn; Hill, J. Colin; Hincks, Adam D.; Hlozek, Renée; Hubmayr, Johannes; Hughes, John P.; Irwin, Kent D.; Koopman, Brian; Kosowsky, Arthur; Li, Dale; Louis, Thibaut; Lungu, Marius; Madhavacheril, Mathew; Maurin, Loïc; McMahon, Jeffrey John; Moodley, Kavilan; Naess, Sigurd; Nati, Federico; Newburgh, Laura; Niemack, Michael D.; Page, Lyman A.; Pappas, Christine G.; Partridge, Bruce; Schmitt, Benjamin L.; Sehgal, Neelima; Sherwin, Blake D.; Sievers, Jonathan L.; Spergel, David N.; Staggs, Suzanne T.; van Engelen, Alexander; Wollack, Edward J.; ACTPol Collaboration

    2016-04-01

    We use microwave temperature maps from two seasons of data from the Atacama Cosmology Telescope at 146 GHz, together with the "Constant Mass" CMASS galaxy sample from the Baryon Oscillation Spectroscopic Survey to measure the kinematic Sunyaev-Zel'dovich (kSZ) effect over the redshift range z =0.4 - 0.7 . We use galaxy positions and the continuity equation to obtain a reconstruction of the line-of-sight velocity field. We stack the microwave temperature at the location of each halo, weighted by the corresponding reconstructed velocity. We vary the size of the aperture photometry filter used, thus probing the free electron profile of these halos from within the virial radius out to three virial radii, on the scales relevant for investigating the missing baryons problem. The resulting best fit kSZ model is preferred over the no-kSZ hypothesis at 3.3 and 2.9 σ for two independent velocity reconstruction methods, using 25,537 galaxies over 660 square degrees. The data suggest that the baryon profile is shallower than the dark matter in the inner regions of the halos probed here, potentially due to energy injection from active galactic nucleus or supernovae. Thus, by constraining the gas profile on a wide range of scales, this technique will be useful for understanding the role of feedback in galaxy groups and clusters. The effect of foregrounds that are uncorrelated with the galaxy velocities is expected to be well below our signal, and residual thermal Sunyaev-Zel'dovich contamination is controlled by masking the most massive clusters. Finally, we discuss the systematics involved in converting our measurement of the kSZ amplitude into the mean free electron fraction of the halos in our sample.

  18. Evidence for the Kinematic Sunyaev-Zel'dovich Effect with the Atacama Cosmology Telescope and Velocity Reconstruction from the Baryon Oscillation Spectroscopic Survey

    NASA Technical Reports Server (NTRS)

    Schaan, Emmanuel S.; Ferraro, Simone; Vargas-Magana, Mariana; Smith, Kendrick M.; Ho, Shirley; Aiola, Simone; Battaglia, Nicholas; Bond, J. Richard; De Bernardis, Francesco; Calabrese, Erminia; hide

    2016-01-01

    We use microwave temperature maps from two seasons of data from the Atacama Cosmology Telescope at 146 GHz, together with the "Constant Mass" CMASS galaxy sample from the Baryon Oscillation Spectroscopic Survey to measure the kinematic Sunyaev-Zel'dovich (kSZ) effect over the redshift range z1/4 0.4-0.7. We use galaxy positions and the continuity equation to obtain a reconstruction of the line-of-sight velocity field. We stack the microwave temperature at the location of each halo, weighted by the corresponding reconstructed velocity. We vary the size of the aperture photometry filter used, thus probing the free electron profile of these halos from within the virial radius out to three virial radii, on the scales relevant for investigating the missing baryons problem. The resulting best fit kSZ model is preferred over the no-kSZ hypothesis at 3.3 and 2.9 sigma for two independent velocity reconstruction methods, using 25,537 galaxies over 660 square degrees. The data suggest that the baryon profile is shallower than the dark matter in the inner regions of the halos probed here, potentially due to energy injection from active galactic nucleus or supernovae. Thus, by constraining the gas profile on a wide range of scales, this technique will be useful for understanding the role of feedback in galaxy groups and clusters. The effect of foregrounds that are uncorrelated with the galaxy velocities is expected to be well below our signal, and residual thermal Sunyaev-Zel'dovich contamination is controlled by masking the most massive clusters. Finally, we discuss the systematics involved in converting our measurement of the kSZ amplitude into the mean free electron fraction of the halos in our sample.

  19. Evidence for the Kinematic Sunyaev-Zel'dovich Effect with the Atacama Cosmology Telescope and Velocity Reconstruction from the Baryon Oscillation Spectroscopic Survey

    NASA Technical Reports Server (NTRS)

    Schaan, Emmanuel S.; Ferraro, Simone; Vargas-Magana, Mariana; Smith, Kendrick M.; Ho, Shirley; Aiola, Simone; Battaglia, Nicholas; Bond, J. Richard; De Bernardis, Francesco; Calabrese, Erminia; Wollack, Edward J.

    2016-01-01

    We use microwave temperature maps from two seasons of data from the Atacama Cosmology Telescope at 146 GHz, together with the "Constant Mass" CMASS galaxy sample from the Baryon Oscillation Spectroscopic Survey to measure the kinematic Sunyaev-Zel'dovich (kSZ) effect over the redshift range z1/4 0.4-0.7. We use galaxy positions and the continuity equation to obtain a reconstruction of the line-of-sight velocity field. We stack the microwave temperature at the location of each halo, weighted by the corresponding reconstructed velocity. We vary the size of the aperture photometry filter used, thus probing the free electron profile of these halos from within the virial radius out to three virial radii, on the scales relevant for investigating the missing baryons problem. The resulting best fit kSZ model is preferred over the no-kSZ hypothesis at 3.3 and 2.9 sigma for two independent velocity reconstruction methods, using 25,537 galaxies over 660 square degrees. The data suggest that the baryon profile is shallower than the dark matter in the inner regions of the halos probed here, potentially due to energy injection from active galactic nucleus or supernovae. Thus, by constraining the gas profile on a wide range of scales, this technique will be useful for understanding the role of feedback in galaxy groups and clusters. The effect of foregrounds that are uncorrelated with the galaxy velocities is expected to be well below our signal, and residual thermal Sunyaev-Zel'dovich contamination is controlled by masking the most massive clusters. Finally, we discuss the systematics involved in converting our measurement of the kSZ amplitude into the mean free electron fraction of the halos in our sample.

  20. Computational, electrochemical, and spectroscopic studies of two mononuclear cobaloximes: the influence of an axial pyridine and solvent on the redox behaviour and evidence for pyridine coordination to cobalt(i) and cobalt(ii) metal centres.

    PubMed

    Lawrence, Mark A W; Celestine, Michael J; Artis, Edward T; Joseph, Lorne S; Esquivel, Deisy L; Ledbetter, Abram J; Cropek, Donald M; Jarrett, William L; Bayse, Craig A; Brewer, Matthew I; Holder, Alvin A

    2016-06-21

    [Co(dmgBF2)2(H2O)2] (where dmgBF2 = difluoroboryldimethylglyoximato) was used to synthesize [Co(dmgBF2)2(H2O)(py)]·0.5(CH3)2CO (where py = pyridine) in acetone. The formulation of complex was confirmed by elemental analysis, high resolution MS, and various spectroscopic techniques. The complex [Co(dmgBF2)2(solv)(py)] (where solv = solvent) was readily formed in situ upon the addition of pyridine to complex . A spectrophotometric titration involving complex and pyridine proved the formation of such a species, with formation constants, log K = 5.5, 5.1, 5.0, 4.4, and 3.1 in 2-butanone, dichloromethane, acetone, 1,2-difluorobenzene/acetone (4 : 1, v/v), and acetonitrile, respectively, at 20 °C. In strongly coordinating solvents, such as acetonitrile, the lower magnitude of K along with cyclic voltammetry, NMR, and UV-visible spectroscopic measurements indicated extensive dissociation of the axial pyridine. In strongly coordinating solvents, [Co(dmgBF2)2(solv)(py)] can only be distinguished from [Co(dmgBF2)2(solv)2] upon addition of an excess of pyridine, however, in weakly coordinating solvents the distinctions were apparent without the need for excess pyridine. The coordination of pyridine to the cobalt(ii) centre diminished the peak current at the Epc value of the Co(I/0) redox couple, which was indicative of the relative position of the reaction equilibrium. Herein we report the first experimental and theoretical (59)Co NMR spectroscopic data for the formation of Co(i) species of reduced cobaloximes in the presence and absence of py (and its derivatives) in CD3CN. From spectroelectrochemical studies, it was found that pyridine coordination to a cobalt(i) metal centre is more favourable than coordination to a cobalt(ii) metal centre as evident by the larger formation constant, log K = 4.6 versus 3.1, respectively, in acetonitrile at 20 °C. The electrosynthesis of hydrogen by complexes and in various solvents demonstrated the dramatic effects of the axial

  1. Direct Spectroscopic Evidence for Phase Competition between the Pseudogap and Superconductivity in Bi2Sr2CaCu2O8+δ

    SciTech Connect

    Hashimoto, Makoto; Nowadnick, Elizabeth A.; He, Rui-Hua; Vishik, Inna M.; Moritz, Brian; He, Yu; Tanaka, Kiyohisa; Moore, Robert G.; Lu, Donghui; Yoshida, Yoshiyuki; Ishikado, Motoyuki; Sasagawa, Takao; Fujita, Kazuhiro; Ishida, Shigeyuku; Uchida, Shinichi; Eisaki, Hiroshi; Hussain, Zahid; Devereaux, Thomas P.; Shen, Zhi-Xun

    2014-11-02

    In the high-temperature (Tc) cuprate superconductors, increasing evidence suggests that the pseudogap, existing below the pseudogap temperature T*, has a distinct broken electronic symmetry from that of superconductivity. Particularly, recent scattering experiments on the underdoped cuprates have suggested that a charge ordering competes with superconductivity. However, no direct link of this physics and the important low-energy excitations has been identified. We report an antagonistic singularity at Tc in the spectral weight of Bi2Sr2CaCu2O8+δ as a compelling evidence for phase competition, which persists up to a high hole concentration p ~ 0.22. Comparison with a theoretical calculation confirms that the singularity is a signature of competition between the order parameters for the pseudogap and superconductivity. Our observation of the spectroscopic singularity at finite temperatures over a wide doping range provides new insights into the nature of the competitive interplay between the two intertwined phases and the complex phase diagram near the pseudogap critical point.

  2. Spectroscopic evidence for temperature-dependent convergence of light- and heavy-hole valence bands of PbQ (Q = Te, Se, S)

    SciTech Connect

    Zhao, J.; Malliakas, C. D.; Wijayaratne, K.; Karlapati, V.; Appathurai, N.; Chung, D. Y.; Rosenkranz, S.; Kanatzidis, M. G.; Chatterjee, U.

    2017-01-01

    We have conducted a temperature- dependent angle-resolved photoemission spectroscopy (ARPES) study of the electronic structures of PbTe, PbSe and PbS. Our ARPES data provide direct evidence for the light-hole upper valence bands (UVBs) and hitherto undetected heavy-hole lower valence bands (LVBs) in these materials. An unusual temperature-dependent relative movement between these bands leads to a monotonic decrease in the energy separation between their maxima with increasing temperature, which is known as band convergence and has long been believed to be the driving factor behind extraordinary thermoelectric performances of these compounds at elevated temperatures.

  3. Spectroscopic Evidence for Strong Quantum Spin Fluctuations with Itinerant Character in YFe2Ge2

    SciTech Connect

    Sirica, N.; Bondino, F.; Nappini, S.; Piz, I.; Poudel, L.; Christianson, Andrew D.; Mandrus, D.; Singh, David J; Mannella, Norman

    2015-03-04

    We report x-ray absorption and photoemission spectroscopy of the electronic structure in the normal state of metallic YFe2Ge2. The data reveal evidence for large fluctuating spin moments on the Fe sites, as indicated by exchange multiplets appearing in the Fe 3s core-level photoemission spectra, even though the compound does not show magnetic order. The magnitude of the multiplet splitting is comparable to that observed in the normal state of the Fe-pnictide superconductors. This shows a connection between YFe2Ge2 and the Fe-based superconductors even though it contains neither pnictogens nor chalcogens. Finally, the implication is that the chemical range of compounds showing at least one of the characteristic magnetic signatures of the Fe-based superconductors is broader than previously thought.

  4. Evidence of colour-modification induced charge and structural disorder in natural corundum: Spectroscopic studies of beryllium treated sapphires and rubies

    NASA Astrophysics Data System (ADS)

    Sastry, M. D.; Mane, Sandesh N.; Gaonkar, Mahesh P.; Bagla, H.; Panjikar, J.; Ramachandran, K. T.

    2009-07-01

    Corundum α - Al2O3 single crystals is an important gemstone known by different names depending on the colour it exhibits which in turn depends on the impurities that are present. The colour depends on the valence state of the impurity element present in corundum (Cr3+ in ruby, Fe3+ in yellow sapphire and Fe-Ti complex in blue sapphire). There have been a number of reports of diffusion controlled high temperature chemical reactions to influence the colouration in these materials. Present paper deals with the Raman and FT-IR results on Be treated rubies/sapphires and gives evidence of the disorder brought about by such treatments. This can be effectively used for diagnostic purposes for detecting the treated stones.

  5. Spectroscopic evidence for the coexistence of tetragonal and trigonal minima within the exited state adiabatic potential energy surfaces of hexachlorotellurate and -selenate complexes

    NASA Astrophysics Data System (ADS)

    Cremers, C.; Degen, J.

    1998-11-01

    Coexistence of Jahn-Teller minima resulting from the coupling to different accepting modes within the adiabatic potential energy surface (APES) is not possible within the framework of linear vibronic coupling theory. For the lowest exited triplet state 3T1u of inorganic complexes with s2 electronic ground-state configuration, such a coexistence, due to quadratic coupling effects, is discussed. As a direct experimental evidence two vibronic progressions with different accepting modes in the emission spectra resulting from a single electronic state are observed in the emission spectra of the title compounds. The observation of vibronic finestructure in the emission spectra of [TeCl6]2- is reported for the first time.

  6. Spectroscopic analysis and control

    DOEpatents

    Tate; , James D.; Reed, Christopher J.; Domke, Christopher H.; Le, Linh; Seasholtz, Mary Beth; Weber, Andy; Lipp, Charles

    2017-04-18

    Apparatus for spectroscopic analysis which includes a tunable diode laser spectrometer having a digital output signal and a digital computer for receiving the digital output signal from the spectrometer, the digital computer programmed to process the digital output signal using a multivariate regression algorithm. In addition, a spectroscopic method of analysis using such apparatus. Finally, a method for controlling an ethylene cracker hydrogenator.

  7. Matrix isolation and ab initio study on HCN/CO2 system and its radiation-induced transformations: Spectroscopic evidence for HCN⋯ CO2 and trans-HCNH⋯ CO2 complexes

    NASA Astrophysics Data System (ADS)

    Kameneva, Svetlana V.; Tyurin, Daniil A.; Nuzhdin, Kirill B.; Feldman, Vladimir I.

    2016-12-01

    Spectroscopic characteristics and X-ray induced transformations of the HCN⋯ CO2 complex in solid Ar and Kr matrices were studied by FTIR spectroscopy and ab initio calculations at the CCSD(T) level. The complex was prepared by deposition of the HCN/CO2/Ng gas mixtures (Ng = Ar or Kr). The comparison of the experiment and calculations prove formation of a linear, H-bonded NCH⋯ OCO complex with a substantial red shift of the C-H stretching band and a blue shift of the H-C-N bending band in respect to the monomer. This result is in contrast with the previous gas-phase observations, where only T-shape complex was found. Irradiation of deposited matrices leads to formation of CN radicals and HNC molecules and subsequent annealing results in appearance of H2CN and trans-HCNH in both matrices plus HKrCN in the case of Kr. In the presence of CO2, the strongest absorption of trans-HCNH radical demonstrates an additional blue-shifted (by 6.4 cm-1) feature, which was assigned to the N-coordinated complex of this radical with CO2 on the basis of comparison with calculations. To our knowledge, it is the first experimentally observed complex of this radical. No evidence was found for HKrCN⋯ CO2 complex, which was explained tentatively by steric hindrance.

  8. Direct spectroscopic observation of a brewer's yeast pyruvate decarboxylase-bound enamine intermediate produced from a suicide substrate. Evidence for nonconcerted decarboxylation.

    PubMed

    Kuo, D J; Jordan, F

    1983-11-25

    The conjugated alpha-keto acid (E)-4-(4-chlorophenyl)-2-oxo-3-butenoic acid, a suicide substrate (Kuo, D. J., and Jordan, F. (1983) Biochemistry 22, 3735-3740), when reacted with brewer's yeast pyruvate decarboxylase (EC 4.1.1.1), was found to produce a new absorption band centered at 440 nm. The band was attributed to the formation of a thiamindiphosphate-bound intermediate produced upon decarboxylation and was not observed in the absence of either thiamindiphosphate or apoprotein. Simultaneously, with the appearance of the spectral band, the enzyme was inactivated irreversibly. The combined evidence suggested that the spectral band pertains to an enzyme-bound conjugated enamine and the results constitute the first direct observation of such an intermediate in any thiamindiphosphate requiring enzymatic reaction. It could be concluded that for the alpha-keto acid employed, CO2 loss and C-protonation of the enamine take place in a stepwise, rather than concerted, manner and that the steps culminating in CO2 loss are faster overall than the subsequent steps that lead to the release of the product. The observation of stoichiometric concentration of enzyme-bound enamine intermediate supports the previous suggestion that alpha-hydroxyethyl thiamindiphosphate is not the true intermediate, but rather the enamine is (Ullrich, J., and Mannshreck, A. (1967) Eur. J. Biochem 1, 110-116).

  9. Photoluminescence and visible diffuse-reflection spectroscopic evidence of samarium reduction in air-fired samples of mixed samarium: strontium tetraborate precipitates.

    PubMed

    Brown, Telvin M; Jeffreys, Mareo C; Pehaire, Mario; Stump, Nathan A

    2013-03-01

    Photoluminescence and visible diffuse-reflection spectroscopies have provided evidence of the reduction of samarium to the divalent state in samarium-doped strontium borate and pure samarium borate samples. The samples were prepared by the air firing of homogeneous precipitates of divalent strontium and trivalent samarium ions from aqueous solutions with saturated sodium tetraborate. The use of this method in the preparation of divalent lanthanide ions has not been reported previously. Reduced samarium was observed in fired tetraborate precipitates prepared with solutions containing 1, 5, 10, 25, 50, 75, and 90 mole percent samarium versus strontium. Divalent samarium also was identified in fired precipitates of trivalent samarium solutions precipitated with tetraborate. Sm(2+) was identified as the primary emitting species in each of the eight compositions. However, diffuse-reflection spectroscopy indicated the presence of trivalent samarium in the studied samples, ranging from minimal for samples prepared with low samarium concentrations to nearly exclusive when pure samarium was studied. Quenching of the characteristic emission associated with the trivalent species is believed to result in the absence of the emission features arising from residual samarium(III) in the products. Although the absence of trivalent samarium emission enhanced the ability of emission spectroscopy to identify small amounts of divalent samarium, indicating that reduction had occurred, it limited the ability of this method to determine the extent of the reduction. Diffuse-reflection spectroscopy's ability to look at both species provided a much better analysis of the extent of samarium reduction.

  10. Spectroscopic Orbits of Three Binaries

    NASA Astrophysics Data System (ADS)

    Scarfe, C. D.

    2017-10-01

    This paper presents new spectroscopic orbits of three binaries with evolved primaries and periods of the order of a few years, two of them very eccentric. All the orbits were determined primarily from observations made with the DAO 1.2-m telescope and coudé spectrograph. Observations were obtained using the radial velocity spectrometer until it was decommissioned in 2004, and since then using a CCD detector, and cross-correlating the spectra with those of standard stars. It will be evident that the latter procedure leads to smaller observational scatter than the former did.

  11. Mantle Transition Zone Derivation of Ultramafic Xenoliths in San Quintin Volcanic Field, Baja California: Evidence from Micro-Laser Raman Spectroscopic Study.

    NASA Astrophysics Data System (ADS)

    Basu, A. R.; Chakrabarty, P.

    2016-12-01

    Spinel lherzolite xenoliths from the Holocene San Quintin Volcanic field in Baja California are well-studied for their mineralogical, petrological and geochemical characteristics, including their micro-structural and seismic properties that collectively suggest complex multiple histories of plastic deformation, re-crystallization and melt-rock interactions in the upper mantle. The ultramafic xenoliths are remarkable for their strong deformation displaying granular, porphryoclastic, tabular mosaic and equigranular microstructures. We used a Thermo ScientificTM DXRTMxi Raman Imaging microscope with an Ar ion 532 nm wavelength laser to image the various mineral phases in olivines and orthopyroxenes of several of the xenoliths. Many of the samples show hematite-decorated dislocations in the large ( 2mm) olivine grains showing sub-grain boundaries. We confirmed the hematite in the dislocation structures by their Raman spectra. Most interestingly, the olivine grains show Raman shift at 823.3 cm-1 and 855.8 cm-1: often these doublets show inversion and a slight shift to the higher side with respect to forsteritic olivine, indicating high pressure Mg2SiO4 phase. The presence of both high pressure and normal olivine within a 30 mµ range of the olivine in a number of samples studied indicate derivation of the xenoliths from the mantle transition zone in an upward flow and decompression while the hematite precipitated along the dislocations in the olivine. In some of the orthopyroxene grains adjacent to these olivines, showing high pressure Mg2SiO4 and normal forsteritic olivine, the presence of clinoenstatite lamellae are also confirmed by Raman studies. In summary, we present in this study three lines of evidence including exsolution of Fe3+ - bearing hematite along dislocations in olivine, presence of high pressure Mg2SiO4 containing this hematite-decorated dislocations and finally the clinoenstatite lamellae in orthopyroxene, indicating that the mineralogy of the spinel

  12. FT-IR Spectroscopic Evidence Of Phase Transition For NaA-ROH-Kerosine-H2O Microemulsion System Containing Nd3+ Ions

    NASA Astrophysics Data System (ADS)

    Liao, Hua; Xu, Zhen-Hua; Shi, Nai; Wu, Jin-Guang; Xu, Guang-Xian

    1989-12-01

    In the previous investigation, the saponification of naphthenic acid extractant system has been proved to be a process of the formation of a microemulsion of 14/0 type, and its full extraction of rare earths is a process of destruction of the W/O microemulsion[1]. When NdCl3 is partially extracted with NaA (sodium naphthenate) secoctylalcohol-- kerosine-- water microemulsion system (ME), both the NdA3 and the NaA co-exist in the same organic phase. However,the formation mechanism of microemulsion containing neodymium has not been much studied. In this paper, 10 aliquots of fully saponificated extractants were equilibrated with various amounts of NdC13 solutions respectively, then ten organic phases with different extraction efficiencies of neodymium from 094 to 9094 were obtained. After extraction,the volume of neodymium containing organic phase increased by 5 to 4594, because of the transfer of water molecules. The appearance of these organic phase still remained clear and transparent. The average hydrodynamic radius of the drops were found to be 100-300 Angstrom by using light scattering techniques. The results give a direct evidence of the microemulsion formation in the organic phase. Their FT-IR spectra were measured with CaFa liquid cells utilizing a Nicolet 7199B FT-IR spectrometer. The presence of various amounts of water in the organic phases was clearly detected from the relative intensity changes of 1644 cm-I, which is assigned to the bending mode of 1110 molecules. Fig.1 shows the change of water contents to the percent extraction of neodymium. Comparsion with the FT-IR spectra, it is seen that the 1560 cm-1 peak of the full saponificated extractant is attributed to the asym. stretching vibration of COO''' group, it shifted to 1536 for 100% extration of Nd ions, indicating the formation of neodymium naphthenate (NdA ) from ionic sodium naphthenate. The sym. strethching vibration of COO''' located at 1406 cm-1, it shifted to 1408 cm in 45% Nd extration

  13. 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.

  14. 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.

  15. Spectroscopic Evidence of Uranium Immobilization in Acidic ...

    EPA Pesticide Factsheets

    Biogeochemistry of uranium in wetlands plays important roles in U immobilization in storage ponds of U mining and processing facilities but has not been well understood. The objective of this work was to study molecular mechanisms responsible for high U retention by Savannah River Site (SRS) wetland sediments under varying redox and acidic (pH = 2.6-5.8) conditions using U L3-edge X-ray absorption spectroscopy. Uranium in the SRS wetland sediments existed primarily as U(VI) bonded as a bidentate to carboxylic sites (U-C bond distance at ~2.88 Å), rather than phenolic or other sites of natural organic matter (NOM). In microcosms simulating the SRS wetland process, U immobilization on roots was 2 orders of magnitude higher than on the adjacent brown or more distant white sands in which U was U(VI). Uranium on the roots were both U(IV) and U(VI), which were bonded as a bidentate to carbon, but the U(VI) may also form a U phosphate mineral. After 140 days of air exposure, all U(IV) was reoxidized to U(VI) but remained as a bidentate bonding to carbon. This study demonstrated NOM and plant roots can highly immobilize U(VI) in the SRS acidic sediments, which has significant implication on the long-term stewardship of U-contaminated wetlands. There were several former U processing facilities at the Savannah River Site (SRS), Aiken, SC. As a result of their operations, uranium has entered the surrounding environments. For example, approximately 45,000 kg o

  16. Spectroscopic evidence of odd frequency superconducting order

    PubMed Central

    Pal, Avradeep; Ouassou, J. A.; Eschrig, M.; Linder, J.; Blamire, M. G.

    2017-01-01

    Spin filter superconducting S/I/N tunnel junctions (NbN/GdN/TiN) show a robust and pronounced Zero Bias Conductance Peak (ZBCP) at low temperatures, the magnitude of which is several times the normal state conductance of the junction. Such a conductance anomaly is representative of unconventional superconductivity and is interpreted as a direct signature of an odd frequency superconducting order. PMID:28106102

  17. 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.

  18. 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...

  19. T Tauri Spectroscopic Binaries

    NASA Astrophysics Data System (ADS)

    Dudorov, A. E.; Eretnova, O. V.

    2017-06-01

    The Hertzsprung-Russell diagram, the excess radius-age, and the eccentricity-period relations are constructed for double-lined spectroscopic T Tauri binaries. The masses and the ages of the classical T Tauri and the weak-line T Tauri stars are compared. All components of T Tauri stars have the excess radius in comparison with initial Main Sequence stars of corresponding mass. The younger the star the more excess radius it has. The overwhelming majority of close binaries (P<10d) have eccentricity near to zero. The fraction of quadruple systems in our sample are higher than for Main Sequence stars.

  20. Spectroscopic Bogoliubov features near the unitary limit

    SciTech Connect

    Domanski, T.

    2011-08-15

    We analyze the single-particle excitation spectrum of the ultracold fermion atom system close to the unitary limit where there has been found experimental evidence for the Bogoliubov quasiparticles below as well as above the transition temperature T{sub c}. We consider the short-range correlations originating from the preformed pairs and try to discuss the experimental data adapting phenomenological self-energy previously used for description of the antinodal spectra of the underdoped cuprate superconductors. We show that this ansatz qualitatively accounts for the momentum-resolved rf spectroscopic data obtained for {sup 40}K atoms.

  1. Enhancing forensic science with spectroscopic imaging

    NASA Astrophysics Data System (ADS)

    Ricci, Camilla; Kazarian, Sergei G.

    2006-09-01

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

  2. 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).

  3. 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.

  4. Spectroscopic optical coherence elastography.

    PubMed

    Adie, Steven G; Liang, Xing; Kennedy, Brendan F; John, Renu; Sampson, David D; Boppart, Stephen A

    2010-12-06

    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.

  5. Spectroscopic, radiochemical, and theoretical studies of the Ga3+-N-2-hydroxyethyl piperazine-N'-2-ethanesulfonic acid (HEPES buffer) system: evidence for the formation of Ga3+ - HEPES complexes in (68) Ga labeling reactions.

    PubMed

    Martins, André F; Prata, M I M; Rodrigues, S P J; Geraldes, Carlos F G C; Riss, P J; Amor-Coarasa, A; Burchardt, C; Kroll, C; Roesch, F

    2013-01-01

    Recent reports have claimed a superior performance of HEPES buffer in comparison to alternative buffer systems for (67/68) Ga labeling in aqueous media. In this paper we report spectroscopic ((1) H and (71) Ga NMR), radiochemical, mass spectrometry and theoretical modeling studies on the Ga(3+)/HEPES system (HEPES = N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid) performed with the aim of elucidating a potential contribution of HEPES in the (68/67) Ga radiolabeling process. Our results demonstrate that HEPES acts as a weakly but competitive chelator of Ga(3+) and that this interaction depends on the relative Ga(3+): HEPES concentration. A by-product formed in the labeling mixture has been identified as a [(68) Ga]Ga(HEPES) complex via chromatographic comparison with the nonradioactive analog. The formation of this complex was verified to compete with [(68) Ga]Ga(NOTA) complexation at low NOTA concentration. Putative chelation of Ga(3+) by the hydroxyl and adjacent ring nitrogen of HEPES is proposed on the basis of (1)H NMR shifts induced by Ga(3+) and theoretical modeling studies.

  6. Infrared Solar Spectroscopic Measurements of Free Tropospheric CO, C2H6, and HCN above Mauna Loa, Hawaii: Seasonal Variations and Evidence for Enhanced Emissions from the Southeast Asian Tropical Fires of 1997-1998

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Goldman, A.; Murcray, F. J.; Stephen, T. M.; Pougatchev, N. S.; Fishman, J.; David, S. J.; Blatherwick, R. D.; Novelli, P. C.; Jones, N. B.

    1999-01-01

    High spectral resolution (0.003 per cm) infrared solar absorption measurements of CO, C2H6, and HCN have been recorded at the Network for the Detection of Stratospheric Change station on Mauna Loa, Hawaii, (19.5N, 155.6W, altitude 3.4 km). The observations were obtained on over 250 days between August 1995 and February 1998. Column measurements are reported for the 3.4-16 km altitude region, which corresponds approximately to the free troposphere above the station. Average CO mixing ratios computed for this layer have been compared with flask sampling CO measurements obtained in situ at the station during the same time period. Both show asymmetrical seasonal cycles superimposed on significant variability. The first 2 years of observations exhibit a broad January-April maximum and a sharper CO minimum during late summer. The C2H6 and CO 3.4-16 km columns were highly correlated throughout the observing period with the C2H6/CO slope intermediate between higher and lower values derived from similar infrared spectroscopic measurements at 32'N and 45'S latitude, respectively. Variable enhancements in CO, C2H6, and particularly HCN were observed beginning in about September 1997. The maximum HCN free tropospheric monthly mean column observed in November 1997 corresponds to an average 3.4-16 km mixing ratio of 0.7 ppbv (1 ppbv = 10(exp -9) per unit volume), more than a factor of 3 above the background level. The HCN enhancements continued through the end of the observational series. Back-trajectory calculations suggest that the emissions originated at low northern latitudes in southeast Asia. Surface CO mixing ratios and the C2H6 tropospheric columns measured during the same time also showed anomalous autumn 1997 maxima. The intense and widespread tropical wild fires that burned during the strong El Nino warm phase of 1997- 1998 are the likely source of the elevated emission products.

  7. Infrared Solar Spectroscopic Measurements of Free Tropospheric CO, C2H6, and HCN above Mauna Loa, Hawaii: Seasonal Variations and Evidence for Enhanced Emissions from the Southeast Asian Tropical Fires of 1997-1998

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Goldman, A.; Murcray, F. J.; Stephen, T. M.; Pougatchev, N. S.; Fishman, J.; David, S. J.; Blatherwick, R. D.; Novelli, P. C.; Jones, N. B.

    1999-01-01

    High spectral resolution (0.003 per cm) infrared solar absorption measurements of CO, C2H6, and HCN have been recorded at the Network for the Detection of Stratospheric Change station on Mauna Loa, Hawaii, (19.5N, 155.6W, altitude 3.4 km). The observations were obtained on over 250 days between August 1995 and February 1998. Column measurements are reported for the 3.4-16 km altitude region, which corresponds approximately to the free troposphere above the station. Average CO mixing ratios computed for this layer have been compared with flask sampling CO measurements obtained in situ at the station during the same time period. Both show asymmetrical seasonal cycles superimposed on significant variability. The first 2 years of observations exhibit a broad January-April maximum and a sharper CO minimum during late summer. The C2H6 and CO 3.4-16 km columns were highly correlated throughout the observing period with the C2H6/CO slope intermediate between higher and lower values derived from similar infrared spectroscopic measurements at 32'N and 45'S latitude, respectively. Variable enhancements in CO, C2H6, and particularly HCN were observed beginning in about September 1997. The maximum HCN free tropospheric monthly mean column observed in November 1997 corresponds to an average 3.4-16 km mixing ratio of 0.7 ppbv (1 ppbv = 10(exp -9) per unit volume), more than a factor of 3 above the background level. The HCN enhancements continued through the end of the observational series. Back-trajectory calculations suggest that the emissions originated at low northern latitudes in southeast Asia. Surface CO mixing ratios and the C2H6 tropospheric columns measured during the same time also showed anomalous autumn 1997 maxima. The intense and widespread tropical wild fires that burned during the strong El Nino warm phase of 1997- 1998 are the likely source of the elevated emission products.

  8. Infrared Solar Spectroscopic Measurements of Free Tropospheric CO, C2H6, and HCN above Mauna Loa, Hawaii: Seasonal Variations and Evidence for Enhanced Emissions from the Southeast Asian Fires of 1997-1998. Revised

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Goldman, A.; Murcray, F. J.; Stephen, T. M.; Pougatchev, N. S.; Fishman, J.; David, S. J.; Blatherwick, R. D.; Novelli, P. C.; Jones, N. B.; Connor, B. J.

    1999-01-01

    High spectral resolution (0.003/ cm) infrared solar absorption measurements of CO, C2H6, and HCN have been recorded at the Network for the Detection of Stratospheric Change station on Mauna Loa, Hawaii, (19.5 deg N, 155.6 deg W, altitude 3.4 km). The observations were obtained on over 250 days between August 1995 and February 1998. Column measurements are reported for the 3.4 - 16 km altitude region, which corresponds approximately to the free troposphere above the station. Average CO mixing ratios computed for this layer have been compared with flask sampling CO measurements obtained in situ at the station during the same time period. Both show asymmetrical seasonal cycles superimposed on significant variability. The first two years of observations exhibit a broad January-April maximum and a sharper CO minimum during late summer. The C2H6 and CO 3.4 - 16 km columns were highly correlated throughout the observing period with the C2H6/CO slope intermediate between higher and lower values derived from similar infrared spectroscopic measurements at 32 deg N and 45 deg S latitude, respectively. Variable enhancements in CO, C2H6, and particularly HCN were observed beginning in about September 1997. The maximum HCN free tropospheric monthly mean column observed in November 1997 corresponds to an average 3.4 - 16 km mixing ratio of 0.7 ppbv (1 ppbv = 10(exp -9) per unit volume), more than a factor of 3 above the background level. The HCN enhancements continued through the end of the observational series. Back-trajectory calculations suggest that the emissions originated at low northern latitudes in southeast Asia. Surface CO mixing ratios and the C2H6 tropospheric columns measured during the same time also showed anomalous autumn 1997 maxima. The intense and widespread tropical wild fires that burned during 3 the strong El Nino warm phase of 1997-1998 are the likely source of the elevated emission products.

  9. A DVD Spectroscope: A Simple, High-Resolution Classroom Spectroscope

    ERIC Educational Resources Information Center

    Wakabayashi, Fumitaka; Hamada, Kiyohito

    2006-01-01

    Digital versatile disks (DVDs) have successfully made up an inexpensive but high-resolution spectroscope suitable for classroom experiments that can easily be made with common material and gives clear and fine spectra of various light sources and colored material. The observed spectra can be photographed with a digital camera, and such images can…

  10. Starfish: Robust spectroscopic inference tools

    NASA Astrophysics Data System (ADS)

    Czekala, Ian; Andrews, Sean M.; Mandel, Kaisey S.; Hogg, David W.; Green, Gregory M.

    2015-05-01

    Starfish is a set of tools used for spectroscopic inference. It robustly determines stellar parameters using high resolution spectral models and uses Markov Chain Monte Carlo (MCMC) to explore the full posterior probability distribution of the stellar parameters. Additional potential applications include other types of spectra, such as unresolved stellar clusters or supernovae spectra.

  11. BIPOLAR JETS PRODUCED BY A SPECTROSCOPIC BINARY

    SciTech Connect

    Mundt, Reinhard; Hamilton, Catrina M.; Herbst, William; Johns-Krull, Christopher M.; Winn, Joshua N.

    2010-01-01

    We present evidence that the spectroscopically identified bipolar jets of the pre-main sequence binary KH 15D (P = 48.4 d, {epsilon}{approx} 0.6, periastron separation {approx}18 R{sub A} , M{sub A} = 0.6 M {sub sun}, M{sub B} = 0.7 M {sub sun}) are a common product of the whole binary system, rather than being launched from either star individually. They may be launched from the innermost part of the circumbinary disk (CBD) or may result from the merging of two outflows driven by the individual stars. This evidence is based on high-resolution H{alpha} and [O I]{lambda}6300 line profiles obtained during eclipse phases of this nearly edge-on system. The occultation of star A (the only currently visible star) by the disk strongly suppresses the stellar H{alpha} and continuum emission and allows one to study the faint redshifted and blueshifted emission components of the bipolar jets. The strongest evidence for jet production by the whole binary system comes from the observed radial velocity symmetry of the two jet components relative to the systemic velocity of the binary in combination with current accretion models from the CBD onto a binary system.

  12. 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.

  13. Knockout, Transfer and Spectroscopic Factors

    NASA Astrophysics Data System (ADS)

    Kemper, Kirby; Keeley, Nicholas; Rusek, Krzysztof

    2011-10-01

    As derived quantities rather than observables, spectroscopic factors extracted from fits to data are model dependent. The main source of uncertainty is the choice of binding potential, but other factors such as adequate modeling of the reaction mechanism, the Perey effect, choice of distorting nuclear potentials etc. can also play a significant role. Recently, there has been some discussion of apparent discrepancies in spectroscopic factors derived from knockout reactions compared to those obtained from low-energy direct reactions. It should be possible to reconcile these discrepancies and we explore this prospect by attempting to describe the 10Be(d,t)9Be data of Nucl. Phys. A157, 305 (1970) using the 10Be/9Be form factors from a recent knockout study, Phys. Rev. Lett. 106, 162502 (2011). The influence of such factors as choice of distorting potentials and multi-step reactions paths will be explored.

  14. Spectroscopic characterization of polymers: report

    SciTech Connect

    Koenig, J.L.

    1987-10-01

    Polymer characterization has presented major difficulties to the analytical chemist, who has had to develop techniques to cope with the challenge. Even the elementary problem of measuring molecular weight is not easy. Yet such measurements are essential, because the physical, mechanical, and flow properties depend on the length of the polymer chain. Because of the limited solubility and high viscosity of polymers, many classical techniques have been of little use or have had to be extensively modified to measure the molecular weight of polymers. Size-exclusion chromatographic techniques such as gel permeation have been developed to measure these molecular weight distributions. Special chromatographic instruments with a range of spectroscopic detectors (including infrared and laser-light scattering) have emerged commercially to aid the analytical chemist in the fundamental endeavor to measure the length of the polymer chain and its distribution. The author describes the advantages and disadvantages and disadvantages of various spectroscopic techniques.

  15. Spectroscopic studies of zinc(II)- and cobalt(II)-associated Escherichia coli formamidopyrimidine-DNA glycosylase: extended X-ray absorption fine structure evidence for a metal-binding domain.

    PubMed

    Buchko, G W; Hess, N J; Bandaru, V; Wallace, S S; Kennedy, M A

    2000-10-10

    Formamidopyrimidine-DNA glycosylase (Fpg) is a 30.2 kDa protein that plays an important role in the base excision repair of oxidatively damaged DNA in Escherichia coli. Sequence analysis and genetic evidence suggest that zinc is associated with a C4-type motif, C(244)-X(2)-C(247)-X(16)-C(264)-X(2)-C(267), located at the C-terminus of the protein. The zinc-associated motif has been shown to be essential for damaged DNA recognition. Extended X-ray absorption fine structure (EXAFS) spectra collected on the zinc-associated protein (ZnFpg) in the lyophilized state and in 10% frozen aqueous glycerol solution show directly that the metal is coordinated to the sulfur atom of four cysteine residues. The average Zn-S bond length is 2.33 +/- 0.01 and 2.34 +/- 0.01 A, respectively, in the lyophilized state and in 10% frozen aqueous glycerol solution. Fpg was also expressed in minimal medium supplemented with cobalt nitrate to yield a blue-colored protein that was primarily cobalt-associated (CoFpg). The profiles of the circular dichroism spectra for CoFpg and ZnFpg are identical, suggesting that the substitution of Co(2+) for Zn(2+) does not alter the structure of Fpg. A similar conclusion is reached upon the analysis of two-dimensional (15)N/(1)H HSQC spectra of uniformly (15)N-labeled samples of ZnFpg and CoFpg; the spectra are similar and display features characteristic of a structured protein. Biochemical assays with a 54 nt DNA oligomer containing 7, 8-dihydro-8-oxoguanine at a specific location show that CoFpg and ZnFpg are equally active at cleaving the DNA at the site of the oxidized guanine. EXAFS spectra of CoFpg indicate that the cobalt is coordinated to the sulfur atom of four cysteine residues with an average Co-S bond length of 2.28 +/- 0.01 and 2.29 +/- 0.01 A, respectively, in the lyophilized state and in 10% frozen aqueous glycerol solution. The structural similarity between CoFpg and ZnFpg suggests that it is biologically relevant to use the paramagnetic

  16. Single nanoparticle tracking spectroscopic microscope

    DOEpatents

    Yang, Haw; Cang, Hu; Xu, Cangshan; Wong, Chung M.

    2011-07-19

    A system that can maintain and track the position of a single nanoparticle in three dimensions for a prolonged period has been disclosed. The system allows for continuously imaging the particle to observe any interactions it may have. The system also enables the acquisition of real-time sequential spectroscopic information from the particle. The apparatus holds great promise in performing single molecule spectroscopy and imaging on a non-stationary target.

  17. Mid-infrared spectroscopic investigation

    NASA Technical Reports Server (NTRS)

    Salisbury, John W.; Vergo, Norma; Walter, Louis

    1987-01-01

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

  18. Spectroscopic observations of the optical candidate for Cygnus X-1.

    NASA Technical Reports Server (NTRS)

    Brucato, R.; Kristian, J.

    1973-01-01

    The spectroscopic binary BD+34 3815 (= HDE 226868) with a period of 5.6 days, which is the brightest object in the position box for the X-ray source Cyg X-1, is studied to determine whether it meets all the requirements for being a black hole. Evidence is presented that the mass of the secondary is larger than the upper limits for white dwarfs or neutron stars, but there is no conclusive evidence that the optical binary is an X-ray source, and that the secondary is a collapsed object.

  19. A photometrically and spectroscopically confirmed population of passive spiral galaxies

    NASA Astrophysics Data System (ADS)

    Fraser-McKelvie, Amelia; Brown, Michael J. I.; Pimbblet, Kevin A.; Dolley, Tim; Crossett, Jacob P.; Bonne, Nicolas J.

    2016-10-01

    We have identified a population of passive spiral galaxies from photometry and integral field spectroscopy. We selected z < 0.035 spiral galaxies that have WISE colours consistent with little mid-infrared emission from warm dust. Matched aperture photometry of 51 spiral galaxies in ultraviolet, optical and mid-infrared show these galaxies have colours consistent with passive galaxies. Six galaxies form a spectroscopic pilot study and were observed using the Wide-Field Spectrograph to check for signs of nebular emission from star formation. We see no evidence of substantial nebular emission found in previous red spiral samples. These six galaxies possess absorption-line spectra with 4000 Å breaks consistent with an average luminosity-weighted age of 2.3 Gyr. Our photometric and integral field spectroscopic observations confirm the existence of a population of local passive spiral galaxies, implying that transformation into early-type morphologies is not required for the quenching of star formation.

  20. Spectroscopic Classifications of Optical Transients with SOAR

    NASA Astrophysics Data System (ADS)

    Foley, R. J.; Hounsell, R. A.; Downing, S.; Pan, Y.-C.; Scolnic, D.; Jha, S. W.; Rest, A.; Smith, K. W.; Wright, D.; Smartt, S. J.; Huber, M.; Chambers, K. C.; Flewelling, H.; Willman, M.; Primak, N.; Schultz, A.; Gibson, B.; Magnier, E.; Waters, C.; Tonry, J.; Wainscoat, R. J.

    2015-07-01

    We report the following classifications of optical transients from spectroscopic observations with the Goodman spectrograph (wavelength range 3100 - 7100) on the Southern Astrophysical Research (SOAR) telescope.

  1. High-energy spectroscopic astrophysics

    NASA Astrophysics Data System (ADS)

    Güdel, Manuel; Walter, Roland

    After three decades of intense research in X-ray and gamma-ray astronomy, the time was ripe to summarize basic knowledge on X-ray and gamma-ray spectroscopy for interested students and researchers ready to become involved in new high-energy missions. This volume exposes both the scientific basics and modern methods of high-energy spectroscopic astrophysics. The emphasis is on physical principles and observing methods rather than a discussion of particular classes of high-energy objects, but many examples and new results are included in the three chapters as well.

  2. Spectroscopic properties of chlorophyll f.

    PubMed

    Li, Yaqiong; Cai, Zheng-Li; Chen, Min

    2013-09-26

    The absorption and fluorescence spectra of chlorophyll f (newly discovered in 2010) have been measured in acetone and methanol at different temperatures. The spectral analysis and assignment are compared with the spectra of chlorophyll a and d under the same experimental conditions. The spectroscopic properties of these chlorophylls have further been studied by the aid of density functional CAM-B3LYP and high-level symmetric adapted coupled-cluster configuration interaction calculations. The main Q and Soret bands and possible sidebands of chlorophylls have been determined. The photophysical properties of chlorophyll f are discussed.

  3. Spectroscopic signature for ferroelectric ice

    NASA Astrophysics Data System (ADS)

    Wójcik, Marek J.; Gług, Maciej; Boczar, Marek; Boda, Łukasz

    2014-09-01

    Various forms of ice exist within our galaxy. Particularly intriguing type of ice - ‘ferroelectric ice' was discovered experimentally and is stable in temperatures below 72 K. This form of ice can generate enormous electric fields and can play an important role in planetary formation. In this letter we present Car-Parrinello simulation of infrared spectra of ferroelectric ice and compare them with spectra of hexagonal ice. Librational region of the spectra can be treated as spectroscopic signature of ice XI and can be of help to identify ferroelectric ice in the Universe.

  4. Spectroscopic and Visual Evidence of Perchlorate Deliquescence Under Martian Conditions

    NASA Astrophysics Data System (ADS)

    Nikolakakos, George; Whiteway, James

    2015-04-01

    One of the key findings during the Phoenix and Mars Science Laboratory landed Mars missions has been the detection of perchlorate, a highly deliquescent salt. Perchlorates are of great interest on Mars due to their high affinity for water vapour as well as their ability to greatly depress the freezing point of water when in solution. This has intriguing biological implications as resulting brines could potentially provide a habitable environment for living organisms. Additionally, it has been speculated that these salts may play a significant role in influencing the hydrological cycle on Mars. In order to experimentally study water exchange processes between the surface and atmosphere on Mars and assess the feasibility of a future landed detection tool, a stand-off Raman spectroscopy instrument and environmental simulation chamber have been developed at York University. A sample of magnesium perchlorate consistent with the size of patches found at the Phoenix site has been subjected to the low water vapour pressure and temperatures found at polar Martian latitudes. Results indicate that at a water vapour pressure of ~2 Pa (-54°C frost point temperature), Raman spectroscopy is able to detect the onset of brine formation and provide a relative estimate of the quantity of water taken up by the sample until complete deliquescence is reached. Significant uptake of water from the atmosphere is observed to occur prior to the frost point temperature being reached and on time scales relevant to the Martian diurnal cycle. This result suggests that perchlorates in the Martian regolith can contribute to the hydrological cycle, pre-emptively reducing the water vapour pressure before saturation is reached.

  5. Spectroscopic Evidences for Strong Hydrogen Bonds with Selenomethionine in Proteins.

    PubMed

    Mundlapati, V Rao; Sahoo, Dipak Kumar; Ghosh, Sanat; Purame, Umesh Kumar; Pandey, Shubhant; Acharya, Rudresh; Pal, Nitish; Tiwari, Prince; Biswal, Himansu S

    2017-02-16

    Careful protein structure analysis unravels many unknown and unappreciated noncovalent interactions that control protein structure; one such unrecognized interaction in protein is selenium centered hydrogen bonds (SeCHBs). We report, for the first time, SeCHBs involving the amide proton and selenium of selenomethionine (Mse), i.e., amide-N-H···Se H-bonds discerned in proteins. Using mass selective and conformer specific high resolution vibrational spectroscopy, gold standard quantum chemical calculations at CCSD(T), and in-depth protein structure analysis, we establish that amide-N-H···Se and amide-N-H···Te H-bonds are as strong as conventional amide-NH···O and amide-NH···O═C H-bonds despite smaller electronegativity of selenium and tellurium than oxygen. It is in fact, electronegativity, atomic charge, and polarizability of the H-bond acceptor atoms are at play in deciding the strength of H-bonds. The amide-N-H···Se and amide-N-H···Te H-bonds presented here are not only new additions to the ever expanding world of noncovalent interactions, but also are of central importance to design new force-fields for better biomolecular structure simulations.

  6. Spectroscopic Evidence Against Nitric Acid Trihydrate in Polar Stratospheric Clouds

    NASA Technical Reports Server (NTRS)

    Toon, Owen B.; Tolbert, Margaret A.

    1995-01-01

    Heterogeneous reactions on polar stratospheric clouds (PSC's) play a key role in the photochemical mechanisms thought to be responsible for ozone depletion in the Antarctic and the Arctic. Reactions on PSC particles activate chlorine to forms that are capable of photochemical ozone destruction, and sequester nitrogen oxides (NOx) that would otherwise deactivate the chlorine. Although the heterogeneous chemistry is now well established, the composition of the clouds themselves is uncertain. It is commonly thought that they are composed of nitric acid trihydrate, although observations have left this question unresolved. Here we reanalyse infrared spectra of type I PCS's obtained in Antarctica in September 1987, using recently measured optical constraints of the various compounds that might be present in PSC's. We find that these PSC's were not composed of nitric acid trihydrate but instead had a more complex composition perhaps that of a ternary solution. Because cloud formation is sensitive to their composition, this finding will alter our understanding of the locations and conditions in which PSCs form. In addition, the extent of ozone loss depends on the ability of the PSC's to remove NOx permanently through sedimentation. The sedimentation rates depend on PSC particle size which in turn is controlled by the composition and formation mechanism.

  7. Spectroscopic evidence for suprathermal electrons in enhanced auroras

    NASA Astrophysics Data System (ADS)

    Hallinan, T. J.; Kimball, J.; Stenbaek-Nielsen, H. C.; Deehr, C. S.

    1997-04-01

    Auroral arcs frequently exhibit bands of enhanced intensity along the bottom edge. These bands have sharp upper borders and are referred to as enhanced lower borders or auroral hems. They are thought to be related to thin layers of enhanced luminosity observed both in auroral arcs and in pulsating auroras. These anomalous distributions of intensity as a function of altitude are referred to collectively as enhanced aurora (EA) and are of interest because they suggest a more complex process for producing auroral ionization and luminosity than the collisional degradation of precipitating electrons. Spectra of eight auroral hems were obtained with an imaging spectrograph and showed consistently that within the hem, there is an enhanced ratio of N2 1st positive emissions (red) to N2+ 1st negative emissions (blue). The enhancement in the red/blue ratio ranged from 10% to 100%. There was a generally smaller and less consistent enhancement in the ratio of the O2+ 1st negative band at 5275 Å to the N2+ 1st negative. Observations of the far red spectra of several hems showed no enhancement in the ratio of N2 1st positive to N2+ Meinel emissions. There were no simultaneous measurements of the Meinel and the N2+ 1st negatives. It is argued that the enhanced spectral ratios are indicative of a population of suprathermal electrons with a sharp energy cutoff near the ionization potential of N2 and that the electrons are energized in situ through wave-particle interactions or possibly by dc electric fields. It is also noted that some but not all of the hems are type b red lower borders.

  8. Polymorphic phases of galactocerebrosides: spectroscopic evidence of lamellar crystalline structures.

    PubMed

    Bou Khalil, M; Carrier, D; Wong, P T; Tanphaichitr, N

    2001-06-06

    Fourier transform infrared spectroscopy was applied to study the structural and thermal properties of bovine brain galactocerebroside (GalCer) containing amide linked non-hydroxylated or alpha-hydroxy fatty acids (NFA- and HFA-GalCer, respectively). Over the temperature range 0-90 degrees C, both GalCer displayed complex thermal transitions, characteristic of polymorphic phase behavior. Upon heating, aqueous dispersions of NFA- and HFA-GalCer exhibited high order-disorder transition temperatures near 80 and 72 degrees C, respectively. En route to the chain melting transition, the patterns of the amide I band of NFA-GalCer were indicative of two different lamellar crystalline phases, whereas those of HFA-GalCer were suggestive of lamellar gel and crystalline bilayers. Cooling from the liquid-crystalline phase resulted in the formation of another crystalline phase of NFA-GalCer and a gel phase of HFA-GalCer, with a phase transition near 62 and 66 degrees C, respectively. Prolonged incubation of GalCer bilayers at 38 degrees C revealed conversions among lamellar crystalline phases (NFA-GalCer) or between lamellar gel and crystalline bilayer structures (HFA-GalCer). Spectral changes indicated that the temperature and/or time induced formation of the lamellar crystalline structures of NFA- and HFA-GalCer was accompanied by partial dehydration and by rearrangements of the hydrogen bonding network and bilayer packing mode of GalCer.

  9. Spectroscopic Evidence for Interstellar Ice in Comet Hyakutake

    NASA Technical Reports Server (NTRS)

    Irvine, W. M.; Bockelee-Morvan, D.; Lis, D. C.; Matthews, H. E.; Biver, N.; Crovisier, J.; Davies, J. K.; Dent, W. R. F.; Gautier, D.; Godfrey, P. D.; Keene, J.; Lovell, A. J.; Owen, T. C.; Phillips, T. G.; Rauer, H.; Schloerb, F. P.; Senay, M.; Young, K.

    1996-01-01

    Volatile compounds in comets are the most pristine materials surviving from the time of formation of the Solar System, and thus potentially provide information about conditions that prevailed in the primitive solar material. Moreover, comets may have supplied a substantial fraction of the volatiles on the terrestrial planets, perhaps including organic compounds that played a role in the origin of life on Earth. Here we report the detection of hydrogen isocyanide (HNC) in comet Hyakutake. The abundance of HNC relative to hydrogen cyanide (HCN) is very similar to that observed in quiescent interstellar molecular clouds, and quite different from the equilibrium ratio expected in the outermost solar nebula, where comets are thought to form. Such a departure from equilibrium has long been considered a hallmark of gas-phase chemical processing in the interstellar medium, suggesting that interstellar gases have been incorporated into the comet's nucleus, perhaps as ices frozen onto interstellar grains. If this interpretation is correct, our results should provide constraints on the temperature of the solar nebula, and the subsequent chemical processes that occurred in the region where comets formed.

  10. Spectroscopic Evidence of Formation of Small Polarons in Doped Manganites

    NASA Astrophysics Data System (ADS)

    Moritomo, Yutaka; Machida, Akihiko; Nakamura, Arao

    1998-03-01

    Temperature dependence of absorption spectra for thin films of doped manganites R_0.6Sr_0.4MnO_3, where R is rare-earth atom, has been investigated systematically changing averaged ionic radius < rA > of perovskite A-site. We have observed a specific absorption band at ~1.5eV due to optical excitations from small polarons (SP)(Machida et al.), submitted.. Spectral weight of the SP band increases with decreasing temperature and eventually disappears at the insulator-metal (IM) transition, indicating that SP in the paramagnetic state (T >= T_C) changes into bare electrons (or large polarons) in the ferromagnetic state due to the enhanced one-electron bandwidth W. We further derived important physical quantities, i.e., W, on-site exchange interaction J and binding energy Ep of SP, and discuss material dependence of stability of SP. This work was supported by a Grant-In-Aid for Scientific Research from the Ministry of Education, Science, Sport and Culture and from PRESTO, Japan Scienece and Technology Corporation (JST), Japan.

  11. Spectroscopic evidence for interstellar ices in comet Hyakutake.

    PubMed

    Irvine, W M; Bockelee-Morvan, D; Lis, D C; Matthews, H E; Biver, N; Crovisier, J; Davies, J K; Dent, W R; Gautier, D; Godfrey, P D; Keene, J; Lovell, A J; Owen, T C; Phillips, T G; Rauer, H; Schloerb, F P; Senay, M; Young, K

    1996-10-03

    Volatile compounds in comets are the most pristine materials surviving from the time of formation of the Solar System, and thus potentially provide information about conditions that prevailed in the primitive solar nebula. Moreover, comets may have supplied a substantial fraction of the volatiles on the terrestrial planets, perhaps including organic compounds that played a role in the origin of life on Earth. Here we report the detection of hydrogen isocyanide (HNC) in comet Hyakutake. The abundance of HNC relative to hydrogen cyanide (HCN) is very similar to that observed in quiescent interstellar molecular clouds, and quite different from the equilibrium ratio expected in the outermost solar nebula, where comets are thought to form. Such a departure from equilibrium has long been considered a hallmark of gas-phase chemical processing in the interstellar medium, suggesting that interstellar gases have been incorporated into the comet's nucleus, perhaps as ices frozen onto interstellar grains. If this interpretation is correct, our results should provide constraints on the temperature of the solar nebula, and the subsequent chemical processes that occurred in the region where comets formed.

  12. Spectroscopic Evidence Against Nitric Acid Trihydrate in Polar Stratospheric Clouds

    NASA Technical Reports Server (NTRS)

    Toon, Owen B.; Tolbert, Margaret A.

    1995-01-01

    Heterogeneous reactions on polar stratospheric clouds (PSC's) play a key role in the photochemical mechanism thought to be responsible for ozone depletion in the Antarctic and Arctic. Reactions of PSC particles activate chlorine to forms that are capable of photochemical ozone destruction, and sequester nitrogen oxides (NOx) that would otherwise deactivate the chlorine. Although the heterogeneous chemistry is now well established, the composition of the clouds themselves is uncertain. It is commonly thought that they are composed of nitric acid trihydrate, although observations have left this question unresolved. Here we reanalyse infrared spectra of type 1 PSCs obtained in Antarctica in September 1987, using recently measured optical constants of the various compounds that might be present in PSCs. We find these PSCs were not composed of nitric acid trihydrate but instead had a more complex compositon, perhaps that of a ternary solution. Because cloud formation is sensitive to their composition, this finding will alter our understanding of the locations and conditions in which PSCs form. In addition, the extent of ozone loss depends on the ability of the PSCs to remove NOx permanently through sedimentation, The sedimentation rates depend on PSC particle size which in turn is controlled by the composition and formation mechanism.

  13. Spectroscopic Evidence for Unconventional Superconductivity in UBe{sub 13}

    SciTech Connect

    Waelti, Ch.; Ott, H. R.; Fisk, Z.; Smith, J. L.

    2000-06-12

    We report on measurements of the differential conductivity G of UBe{sub 13}- Au contacts, which reveal the existence of low-energy Andreev surface bound states. These bound states are identified via huge conductance peaks at zero bias that may form only in superconductors with nontrivial energy-gap functions. From the voltage dependence of G at T6.7 , much in excess of the weak coupling BCS value of 3.5, and directly indicating strong coupling effects in superconducting UBe{sub 13} . (c) 2000 The American Physical Society.

  14. Spectroscopic imaging in electron microscopy

    SciTech Connect

    Pennycook, Stephen J; Colliex, C.

    2012-01-01

    In the scanning transmission electron microscope, multiple signals can be simultaneously collected, including the transmitted and scattered electron signals (bright field and annular dark field or Z-contrast images), along with spectroscopic signals such as inelastically scattered electrons and emitted photons. In the last few years, the successful development of aberration correctors for the electron microscope has transformed the field of electron microscopy, opening up new possibilities for correlating structure to functionality. Aberration correction not only allows for enhanced structural resolution with incident probes into the sub-angstrom range, but can also provide greater probe currents to facilitate mapping of intrinsically weak spectroscopic signals at the nanoscale or even the atomic level. In this issue of MRS Bulletin, we illustrate the power of the new generation of electron microscopes with a combination of imaging and spectroscopy. We show the mapping of elemental distributions at atomic resolution and also the mapping of electronic and optical properties at unprecedented spatial resolution, with applications ranging from graphene to plasmonic nanostructures, and oxide interfaces to biology.

  15. Spectroscopic insight for tablet compression.

    PubMed

    Lakio, S; Ylinärä, H; Antikainen, O; Räikkönen, H; Yliruusi, J

    2015-02-01

    Tablet compression process has been studied over the years from various perspectives. However what exactly happens to material during compression is still unknown. In this study a novel compression die which enables real-time spectroscopic measurements during the compression of material is represented. Both near infrared and Raman spectroscope probes can be attached to the die. In this study the usage of the die is demonstrated by using Raman spectroscopy. Eicosane, d-glucose anhydrate, α-lactose monohydrate and xylitol were used in the study because their compression behavior and bonding properties during compression were assumed to be different. The intensity of the Raman signal changed during compression with all of the materials. However, the intensity changes were different within the materials. The biggest differences were within the xylitol spectra. It was noticed that some peaks disappeared with higher compression pressures indicating that the pressure affected variously on different bonds in xylitol structure. These reversible changes were supposed to relate the changes in conformation and crystal structure. As a conclusion, the die was found to be a significant addition for studying compression process in real-time. It can help to reveal Process induced transformations (PITs) occurring during powder compaction.

  16. The Hubble Spectroscopic Legacy Archive

    NASA Astrophysics Data System (ADS)

    Peeples, Molly S.; Tumlinson, Jason; Fox, Andrew; Aloisi, Alessandra; Ayres, Thomas R.; Danforth, Charles; Fleming, Scott W.; Jenkins, Edward B.; Jedrzejewski, Robert I.; Keeney, Brian A.; Oliveira, Cristina M.

    2016-01-01

    With no future space ultraviolet instruments currently planned, the data from the UV spectrographs aboard the Hubble Space Telescope have a legacy value beyond their initial science goals. The Hubble Spectroscopic Legacy Archive will provide to the community new science-grade combined spectra for all publicly available data obtained by the Cosmic Origins Spectrograph (COS) and the Space Telescope Imaging Spectrograph (STIS). These data will be packaged into "smart archives" according to target type and scientific themes to facilitate the construction of archival samples for common science uses. A new "quick look" capability will make the data easy for users to quickly access, assess the quality of, and download for archival science starting in Cycle 24, with the first generation of these products for the FUV modes of COS available online via MAST in early 2016.

  17. Spectroscopic problems in ITER diagnostics

    NASA Astrophysics Data System (ADS)

    Lisitsa, V. S.; Bureyeva, L. A.; Kukushkin, A. B.; Kadomtsev, M. B.; Krupin, V. A.; Levashova, M. G.; Medvedev, A. A.; Mukhin, E. E.; Shurygin, V. A.; Tugarinov, S. N.; Vukolov, K. Yu

    2012-12-01

    Problems of spectroscopic diagnostics of ITER plasma are under consideration. Three types of diagnostics are presented: 1) Balmer lines spectroscopy in the edge and divertor plasmas; 2) Thomson scattering, 3) charge exchange recombination spectroscopy. The Zeeman-Stark structure of line shapes is discussed. The overlapping of isotopes H-D-T spectral line shapes are presented for the SOL and divertor conditions. The polarization measurements of H-alpha spectral lines for H-D mixture on T-10 tokamak are shown in order to separate Zeeman splitting in more details. The problem of plasma background radiation emission for Thomson scattering in ITER is discussed in details. The line shape of P-7 hydrogen spectral line having a wave length close to laser one is presented together with continuum radiation. The charge exchange recombination spectroscopy (CXRS) is discussed in details. The data on Dα, HeII and CVI measurements in CXRS experiments on T-10 tokamak are presented.

  18. Multifunction Imaging and Spectroscopic Instrument

    NASA Technical Reports Server (NTRS)

    Mouroulis, Pantazis

    2004-01-01

    A proposed optoelectronic instrument would perform several different spectroscopic and imaging functions that, heretofore, have been performed by separate instruments. The functions would be reflectance, fluorescence, and Raman spectroscopies; variable-color confocal imaging at two different resolutions; and wide-field color imaging. The instrument was conceived for use in examination of minerals on remote planets. It could also be used on Earth to characterize material specimens. The conceptual design of the instrument emphasizes compactness and economy, to be achieved largely through sharing of components among subsystems that perform different imaging and spectrometric functions. The input optics for the various functions would be mounted in a single optical head. With the exception of a targeting lens, the input optics would all be aimed at the same spot on a specimen, thereby both (1) eliminating the need to reposition the specimen to perform different imaging and/or spectroscopic observations and (2) ensuring that data from such observations can be correlated with respect to known positions on the specimen. The figure schematically depicts the principal components and subsystems of the instrument. The targeting lens would collect light into a multimode optical fiber, which would guide the light through a fiber-selection switch to a reflection/ fluorescence spectrometer. The switch would have four positions, enabling selection of spectrometer input from the targeting lens, from either of one or two multimode optical fibers coming from a reflectance/fluorescence- microspectrometer optical head, or from a dark calibration position (no fiber). The switch would be the only moving part within the instrument.

  19. Spectroscopic Studies of Abell Clusters

    NASA Astrophysics Data System (ADS)

    Way, Michael Joseph

    The objectives of this work are to use spectroscopic techniques to accurately categorize galaxies as either HII region star forming galaxies or as Active Galactic Nuclei powered via a black hole, and to use radial velocities and projected positions of galaxies in clusters to obtain the total cluster mass and its distribution. The masses and distributions compare well to X-ray mass measurements. The commonly used Dressler, A., Thompson, I. & Shectman, S. 1985, ApJ, 288, 481 technique for discriminating between Active Galactic Nuclei and HII region galaxies uses the measurement of the equivalent width of the emission lines (OII) 3727 A, H/beta, and (OIII) 5007 A. High quality spectra from 42 galaxies were taken and it is shown that their method is not capable of distinguishing between Active Galactic Nuclei and HII region galaxies. The emission line flux from H/beta, (OIII) 5007 A, (OI) 6300 A, Hα, (NII) 6583 A, and (SII) 6716+6731 A in combination with the method of Veilleux, S. & Osterbrock, D. E. 1987, ApJS, 63, 295 must be used to accurately distinguish between Active Galactic Nuclei and HII region galaxies. Galaxy radial velocities from spectroscopic data and their projected 2-D positions in clusters are used to obtain robust estimates of the total mass and mass distribution in two clusters. The total mass is calculated using the Virial theorem after removing substructure. The mass distribution is estimated via several robust statistical tests for 1-D, 2-D and 3-D structure. It is shown that the derived mass estimates agree well with those found independently from hot X-ray gas emission in clusters.

  20. Spectroscopic Signatures Related to a Sunquake

    NASA Astrophysics Data System (ADS)

    Matthews, S. A.; Harra, L. K.; Zharkov, S.; Green, L. M.

    2015-10-01

    The presence of flare-related acoustic emission (sunquakes (SQs)) in some flares, and only in specific locations within the flaring environment, represents a severe challenge to our current understanding of flare energy transport processes. In an attempt to contribute to understanding the origins of SQs we present a comparison of new spectral observations from Hinode’s EUV imaging Spectrometer (EIS) and the Interface Region Imaging Spectrograph (IRIS) of the chromosphere, transition region, and corona above an SQ, and compare them to the spectra observed in a part of the flaring region with no acoustic signature. Evidence for the SQ is determined using both time-distance and acoustic holography methods, and we find that unlike many previous SQ detections, the signal is rather dispersed, but that the time-distance and 6 and 7 mHz sources converge at the same spatial location. We also see some evidence for different evolution at different frequencies, with an earlier peak at 7 mHz than at 6 mHz. Using EIS and IRIS spectroscopic measurements we find that in this location, at the time of the 7 mHz peak the spectral emission is significantly more intense, shows larger velocity shifts and substantially broader profiles than in the location with no SQ, and there is a good correlation between blueshifted, hot coronal, hard X-ray (HXR), and redshifted chromospheric emission, consistent with the idea of a strong downward motion driven by rapid heating by nonthermal electrons and the formation of chromospheric shocks. Exploiting the diagnostic potential of the Mg ii triplet lines, we also find evidence for a single large temperature increase deep in the atmosphere, which is consistent with this scenario. The time of the 6 mHz and time-distance peak signal coincides with a secondary peak in the energy release process, but in this case we find no evidence of HXR emission in the quake location, instead finding very broad spectral lines, strongly shifted to the red, indicating

  1. SPECTROSCOPIC SIGNATURES RELATED TO A SUNQUAKE

    SciTech Connect

    Matthews, S. A.; Harra, L. K.; Green, L. M.; Zharkov, S.

    2015-10-10

    The presence of flare-related acoustic emission (sunquakes (SQs)) in some flares, and only in specific locations within the flaring environment, represents a severe challenge to our current understanding of flare energy transport processes. In an attempt to contribute to understanding the origins of SQs we present a comparison of new spectral observations from Hinode’s EUV imaging Spectrometer (EIS) and the Interface Region Imaging Spectrograph (IRIS) of the chromosphere, transition region, and corona above an SQ, and compare them to the spectra observed in a part of the flaring region with no acoustic signature. Evidence for the SQ is determined using both time–distance and acoustic holography methods, and we find that unlike many previous SQ detections, the signal is rather dispersed, but that the time–distance and 6 and 7 mHz sources converge at the same spatial location. We also see some evidence for different evolution at different frequencies, with an earlier peak at 7 mHz than at 6 mHz. Using EIS and IRIS spectroscopic measurements we find that in this location, at the time of the 7 mHz peak the spectral emission is significantly more intense, shows larger velocity shifts and substantially broader profiles than in the location with no SQ, and there is a good correlation between blueshifted, hot coronal, hard X-ray (HXR), and redshifted chromospheric emission, consistent with the idea of a strong downward motion driven by rapid heating by nonthermal electrons and the formation of chromospheric shocks. Exploiting the diagnostic potential of the Mg ii triplet lines, we also find evidence for a single large temperature increase deep in the atmosphere, which is consistent with this scenario. The time of the 6 mHz and time–distance peak signal coincides with a secondary peak in the energy release process, but in this case we find no evidence of HXR emission in the quake location, instead finding very broad spectral lines, strongly shifted to the red

  2. Raman Spectroscopic Detection of Graphitic Carbon of Biogenic Parentage in an Ancient South African Chert

    NASA Technical Reports Server (NTRS)

    Wang, Alian; Haskin, Larry A.; Kuebler, Karla E.; Jolliff, Bradley L.; Walsh, Maud M.

    2001-01-01

    The detection of reduced carbon in martian rocks and soils is important in the search for evidence of life. A Raman spectroscopic study of South Africa chert reveals that 50 ppm carbon or less can be determined by this technique. Additional information is contained in the original extended abstract.

  3. CSP Spectroscopic Classification of LSQ16oi

    NASA Astrophysics Data System (ADS)

    Morrell, N.; Phillips, M.; Lira, P.; Ellman, N.; Baltay, C.; Rabinowitz, D.; Rostami, S.; Hsiao, E. Y.

    2016-02-01

    We report the spectroscopic classification of a La Silla-QUEST (LSQ) supernova (Baltay et al. 2013, PASP, 125, 683) taken using WFCCD on the 2.5-m du Pont Telescope as part of the Carnegie Supernova Project (CSP).

  4. CSP spectroscopic classification of two supernovae

    NASA Astrophysics Data System (ADS)

    Stritzinger, M.; Hsiao, E.; Taddia, F.; Morrell, N.

    2015-01-01

    On behalf of the Carnegie Supernova Project, we report spectroscopic classification of PSN J08293820-1717473 and ASASSN-14my (ATel#6860), based on visual-wavelength spectra obtained with the Nordic Optical Telescope (+Alfosc).

  5. Spectroscopic Classifications of Optical Transients with SOAR

    NASA Astrophysics Data System (ADS)

    Hounsell, R. A.; Miller, J. A.; Pan, Y.-C.; Foley, R. J.; Jha, S. W.; Rest, A.; Scolnic, D.; Smith, K. W.; Wright, D.; Smartt, S. J.; Huber, M.; Chambers, K. C.; Flewelling, H.; Willman, M.; Primak, N.; Schultz, A.; Gibson, B.; Magnier, E.; Waters, C.; Tonry, J.; Wainscoat, R. J.

    2016-06-01

    We report the following classifications of optical transients from spectroscopic observations with the Goodman spectrograph on the SOAR 4-m telescope. Targets were supplied by the Pan-STARRS Survey for Transients (PSST).

  6. Asiago spectroscopic classification of AT 2017fut

    NASA Astrophysics Data System (ADS)

    Benetti, S.; Tomasella, L.; Cappellaro, E.

    2017-08-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of AT 2017fut, discovered by F. Ciabattari, E. Mazzoni, M. Rossi (Italian Supernovae Search Project ISSP) in PGC 5530.

  7. Asiago spectroscopic classification of SN2017awk.

    NASA Astrophysics Data System (ADS)

    Tomasella, L.; Benetti, S.; Cappellaro, E.; Elias-Rosa, N.; Ochner; Pastorello, P.; Turatto, M.; Terreran, G

    2017-02-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic observation of ASASSN-17co The target was supplied by All Sky Automated Survey for SuperNovae (ASAS-SN).

  8. MDM OSMOS Spectroscopic classification of Supernovae

    NASA Astrophysics Data System (ADS)

    Bose, Subhash; Dong, Subo; Chen, Ping; Klusmeyer, J.; Prieto, Jose Luis; Shappee, B.; Shields, J.; Brown, J.; Stanek, K. Z.; Kochanek, C.

    2016-11-01

    We report optical spectroscopic classification of supernova candidates 2016hgd (ATel #9651), 2016hli (ATel #9685), CSS161013:015319+171853 and CSS161013:020130+141534 (http://nesssi.cacr.caltech.edu/catalina/AllSN.html).

  9. MAMA Spectroscopic Sensitivity and Focus Monitor

    NASA Astrophysics Data System (ADS)

    Lennon, Daniel

    2009-07-01

    Monitor sensitivity of each MAMA grating mode to detect any change due tocontamination or other causes. Also monitor the STIS focus in a spectroscopic and animaging mode.Whenever possible, obtain parallel airglow spectra with COS.

  10. Asiago spectroscopic classification of SN2017mf

    NASA Astrophysics Data System (ADS)

    Ochner, P.; Benetti, S.; Tomasella, L.; Cappellaro, E.; Elias-Rosa, N.; Pastorello, P.; Turatto, M.; Terreran, G

    2017-01-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic observation of SN2017mf. The observation was performed with the Asiago 1.22-m Galileo Telescope (+ Boller & Chivens spectrograph).

  11. Spectroscopic properties of alexandrite crystals

    NASA Astrophysics Data System (ADS)

    Powell, Richard C.; Xi, Lin; Gang, Xu; Quarles, Gregory J.; Walling, John C.

    1985-09-01

    Details of the optical-spectroscopic properties of alexandrite (BeAl2O4:Cr3+) crystals were studied by different laser-spectroscopy techniques. The temperature dependences of the fluorescence lifetimes and widths of the zero-phonon lines were found to be quite different for Cr3+ ions in the mirror and inversion crystal-field sites. The results indicate that direct phonon-absorption processes dominate both thermal line broadening and lifetime quenching for ions in the mirror sites while phonon-scattering processes dominate the line broadening of inversion-site ions and leave their lifetime independent of temperature. Tunable-dye-laser site-selection methods were used to obtain the excitation spectra of the Cr3+ ions in inversion sites at low temperature and to identify six types of exchange-coupled pairs of Cr3+ ions in the lattice. Time-resolved site-selection spectroscopy was used to monitor the energy transfer between Cr3+ ions in mirror and inversion sites at both low and high temperature. Finally, high-power, picosecond pulse excitation was used to produce two-photon absorption, and the resulting emission spectrum was found to exhibit a new fluorescence band in the 400-nm spectral region.

  12. SDSS spectroscopic survey of stars

    SciTech Connect

    Ivezic, Zeljko; Schlegel, D.; Uomoto, A.; Bond, N.; Beers, T.; Allende Prieto, C.; Wilhelm, R.; Lee, Y.Sun; Sivarani, T.; Juric, M.; Lupton, R.; /Washington U., Seattle, Astron. Dept. /LBL, Berkeley /Johns Hopkins U. /Princeton U. /Michigan State U. /Texas U. /Texas Tech. /UC, Santa Cruz /Fermilab /Naval Observ., Flagstaff /Drexel U.

    2007-01-01

    In addition to optical photometry of unprecedented quality, the Sloan Digital Sky Survey (SDSS) is also producing a massive spectroscopic database. They discuss determination of stellar parameters, such as effective temperature, gravity and metallicity from SDSS spectra, describe correlations between kinematics and metallicity, and study their variation as a function of the position in the Galaxy. They show that stellar parameter estimates by Beers et al. show a good correlation with the position of a star in the g-r vs. u-g color-color diagram, thereby demonstrating their robustness as well as a potential for photometric parameter estimation methods. Using Beers et al. parameters, they find that the metallicity distribution of the Milky Way stars at a few kpc from the galactic plane is bimodal with a local minimum at [Z/Z{sub {circle_dot}}] {approx} -1.3. The median metallicity for the low-metallicity [Z/Z{sub {circle_dot}}] < =1.3 subsample is nearly independent of Galactic cylindrical coordinates R and z, while it decreases with z for the high-metallicity [Z/Z{sub {circle_dot}}] > -1.3 sample. they also find that the low-metallicity sample has {approx} 2.5 times larger velocity dispersion and that it does not rotate (at the {approx} 10 km/s level), while the rotational velocity of the high-metallicity sample decreases smoothly with the height above the galactic plane.

  13. 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.

  14. The Hubble Spectroscopic Legacy Archive

    NASA Astrophysics Data System (ADS)

    Peeples, M.; Tumlinson, J.; Fox, A.; Aloisi, A.; Fleming, S.; Jedrzejewski, R.; Oliveira, C.; Ayres, T.; Danforth, C.; Keeney, B.; Jenkins, E.

    2017-04-01

    With no future space ultraviolet instruments currently planned, the data from the UV spectrographs aboard the Hubble Space Telescope have a legacy value beyond their initial science goals. The goal of the Hubble Spectroscopic Legacy Archive(HSLA) is to provide to the community new science-grade combined spectra for all publicly available data obtained by the Cosmic Origins Spectrograph (COS)and the Space Telescope Imaging Spectrograph (STIS). These data are packaged into "smart archives" according to target type and scientific themes to facilitate the construction of archival samples for common science uses. A new "quick look" capability makes the data easy for users to quickly access, assess the quality of,and download for archival science. The first generation of these products for the far-ultraviolet (FUV) modes of COS was made available online via the Mikulski Archive for Space Telescopes (MAST) in early 2016 and updated in early 2017; future releases will include COS/NUV and STIS/UV data.

  15. Asiago spectroscopic classification of transients

    NASA Astrophysics Data System (ADS)

    Tomasella, L.; Benetti, S.; Cappellaro, E.

    2017-08-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of SN 2017giq, discovered by Zhijian Xu et al. in SDSS J235754.69+283007.1, and the observations of AT 2017ghp and AT 2017gio discovered by Torny et al (ATLAS) The observation was performed with the Asiago 1.82 m Copernico Telescope equipped with AFOSC (range 340-820 nm; resolution 1.4 nm). Survey Name | IAU Name | Discovery date (UT) | Discovery mag | Observation (UT) | Type | z | Notes| PTSS-17vkg | SN 2017giq | 2017-08-27 15:15:18 | 18.8 |2017-08-29 22:09:09 | SN Ic | 0.029813| (1) | ATLAS17juy | AT 2017ghp | 2017-08-23 14:00:57 | 17.53 |2017-08-29 23:49:52 | ? | ? | (2) | (1) The spectrum is consistent with that of Type Ic SN events around maximum light, at a redshift 0.0298, according to the redshift of the host galaxy SDSS J235754.69+283007.1 (Sloan Digital Sky Survey Data Release 13 as obtained Jan. 31, 2017 from http://www.sdss.org/dr13/data_access/bulk/); (2) Featureless, blue continuum.

  16. Handbook of Basic Atomic Spectroscopic Data

    National Institute of Standards and Technology Data Gateway

    SRD 108 Handbook of Basic Atomic Spectroscopic Data (Web, free access)   This handbook provides a selection of the most important and frequently used atomic spectroscopic data. The compilation includes data for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99). The wavelengths, intensities, and spectrum assignments are given for each element, and the data for the approximately 12,000 lines of all elements are also collected into a single table.

  17. Fatty infiltration of the liver: demonstration by proton spectroscopic imaging: preliminary observations

    SciTech Connect

    Lee, J.K.T.; Dixon, W.T.; Ling, D.; Levitt, R.G.; Murphy, W.A. Jr.

    1984-10-01

    Two normal volunteers and three patients with CT evidence of fatty infiltration of the liver were studied to determine whether magnetic resonance imaging using a pulse sequence designed to differentiate fat and water could be used to detect fatty infiltration of the liver in human being. The magnetic resonance technique used a modified spin echo technique (simple proton spectroscopic imaging). Quantitative data showed that fatty liver can be separated from normal liver using the spin echo technique, and that the opposed image of the proton spectroscopic technique is more sensitive to small changes in hepatic fatty content than in-phase images with any echo time.

  18. Spectroscopic indicators of life on other planets

    NASA Astrophysics Data System (ADS)

    Kasting, James F.

    2008-10-01

    Astronomers have now identified over 300 extrasolar planets orbiting nearby stars. Most of these planets have been found by using ground-based instruments to measure Doppler shifts in the spectrum of the parent star. For stars similar to our Sun, this method is unable to find planets as small as Earth. Within the next two (three?) decades, however, NASA hopes to launch space-based telescopes that will be able to search directly for extrasolar planets. NASA's planned Terrestrial Planet Finder (TPF) missions, will look for Earth-like planets around nearby stars and, if they exist, provide spectroscopic information on their atmospheres. TPF-C will be a coronagraph that operates in the visible/near-IR. A variant of this idea, called TPF-O, would replace the internal coronagraph with a free-flying occulting disk. TPF-I is envisioned as a free-flying interferometer operating in the thermal-IR. On a planet like modern Earth, TPF-C or TPF--O should be able to see absorption bands of O2, H2O, and possibly O3. TPF-I would be able to see CO2, H2O, and O3. Both O2 and O3 are considered to be good indicators of life for planets orbiting within the liquid water habitable zone of their parent star. Even better evidence for life would be the simultaneous observation of O2 (or O3) and a reduced gas such as CH4 or N2O. That may not be possible with a first-generation TPF instrument but should ultimately be possible in the more distant future.

  19. Spectroscopic investigation of protein corona

    NASA Astrophysics Data System (ADS)

    Choudhary, Poonam

    Nanotechnology has revolutionalized the landscape of modern science and technology, including materials, electronics, therapeutics, bioimaging, sensing, and the environment. Research in the past decade has examined the fate of nanomaterials in vitro and in vivo, as well as the interactions between nanoparticles and biological and ecosystems using primarily toxicological and ecotoxicological approaches. However, due to the versatility in the physical and physicochemical properties of nanoparticles, and due to the vast complexity of their hosting systems, the solubility, transformation, and biocompatibility of nanomaterials are still poorly understood. Nanotechnology has been undergoing tremendous development in recent decades, driven by realized perceived applications of nanomaterials in electronics, therapeutics, imaging, sensing, environmental remediation, and consumer products. Nanoparticles on entering the blood stream undergo an identity change, they become coated with proteins. There are different kind of proteins present in blood. Proteins compete for getting coated over the surface of nanoparticle and this whole entity of proteins coated over nanoparticle surface is called Protein Corona. Proteins tightly bound to the surface of nanoparticle form hard corona and the ones loosely bound on the outer surface form soft corona. This dissertation is aimed at spectroscopic investigation of Protein Corona. Chapter I of this dissertation offers a comprehensive review of the literature based on nanomaterials with the focus on carbon based nanomaterilas and introduction to Protein Corona. Chapter II is based different methods used for Graphene Synthesis,different types of defects and doping. In Chapter III influence of defects on Graphene Protein Corona was investigated. Chapter IV is based on the study of Apoptosis induced cell death by Gold and silver nanoparticles. In vitro study of effect of Protein Corona on toxicity of cells was done.

  20. Spectroscopic Observations of Merging Galaxies

    NASA Astrophysics Data System (ADS)

    Donzelli, C. J.; Pastoriza, M. G.

    2000-07-01

    In this paper we describe the spectroscopic and infrared properties of a sample of 25 merging galaxy pairs, selected from the catalog of Arp & Madore, and we compare them with those observed in a similar sample of interacting galaxies (Donzelli & Pastoriza). It is noted that mergers as well as interacting systems comprise a wide range of spectral types, going from those corresponding to well-evolved stellar populations (older than 200 Myr) to those that show clear signatures of H II regions with stellar populations younger than 8 Myr. However, merger galaxies show on average more excited spectra than interacting pairs, which could be attributed to lower gas metallicity. From the emission lines we also found that merging systems show on average higher (about a factor of 2) star formation rates than interacting galaxies. Classical diagnostic diagrams show that only three of 50 of the galaxies (6%) present some form of nuclear activity: two Seyfert galaxies and one LINER. However, through a detailed analysis of the pure emission-line spectra, we conclude that this fraction may raise up to 23% of the mergers if we consider that some galaxies host a low-luminosity active nucleus surrounded by strong star-forming regions. This latter assumption is also supported by the infrared colors of the galaxies. Regarding to the total infrared luminosities, the merging galaxies show on average an IR luminosity, log(Lir)=10.7, lower than that of interacting systems, log(Lir)=10.9. We find that only three mergers of the sample (12%) can be classified as luminous infrared galaxies, while this fraction increases to 24% in the interacting sample. Based on observations made at CASLEO. Complejo Astronómico El Leoncito is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juan.

  1. Spectroscopic mode identification of γ Doradus stars: frequencies, modes, rotation and wave leakage

    NASA Astrophysics Data System (ADS)

    Pollard, Karen R.; Brunsden, E.; Davie, M.; Greenwood, A.; Cottrell, P. L.

    The gravity modes present in γ Doradus stars probe the deep stellar interiors and are thus of particular interest in asteroseismology. The MUSICIAN programme at the University of Canterbury has been successfully identifying frequencies and pulsation modes in many γ Doradus stars using hundreds of precise, high resolution spectroscopic observations obtained with the 1.0 m telescope and HERCULES spectrograph at the Mt John Observatory in New Zealand. In this paper we present a summary of our spectroscopic frequency and mode identifications. Of particular interest from our spectroscopic analyses are: the prevalence of (l, m) = 1, 1 modes in many γ Dor stars; the importance of stellar rotation in the interpretation of the frequency and mode identification; and finally, possible evidence of wave leakage in one of these stars.

  2. Radial velocity curve of the spectroscopic binary HD 25639 (ADS 2984A)

    NASA Astrophysics Data System (ADS)

    Gorda, S. Yu.

    2016-10-01

    We present the results of the reduction of our observations for the spectroscopic binary ADS 2984A (B0 II-B0 III), which along with its visual component ADS 2984B (SZ Cam) are the brightest members of the open star cluster NGC 1502. The spectroscopic data were obtained with a fiber-fed echelle spectrograph ( R = 15 000) at the 1.2-m telescope of the Astronomical Observatory of the Ural Federal University. The period of ADS 2984A ( P orb = 57.24 ± 0.05 days) has been found for the first time. This spectroscopic binary is shown to belong to the SB1 type. We have determined the parameters of the radial velocity curve for the visible spectroscopic component, V 0 = -5.5 ± 1.2 km s-1 and K = 41.5 ± 1.7 km s-1. The lower mass limit for the invisible spectroscopic component has been estimated to be 5M_ ⊙ . Evidence for the presence of a stellar wind outflowing from the surface of this blue giant is presented.

  3. SICK: THE SPECTROSCOPIC INFERENCE CRANK

    SciTech Connect

    Casey, Andrew R.

    2016-03-15

    There exists an inordinate amount of spectral data in both public and private astronomical archives that remain severely under-utilized. The lack of reliable open-source tools for analyzing large volumes of spectra contributes to this situation, which is poised to worsen as large surveys successively release orders of magnitude more spectra. In this article I introduce sick, the spectroscopic inference crank, a flexible and fast Bayesian tool for inferring astrophysical parameters from spectra. sick is agnostic to the wavelength coverage, resolving power, or general data format, allowing any user to easily construct a generative model for their data, regardless of its source. sick can be used to provide a nearest-neighbor estimate of model parameters, a numerically optimized point estimate, or full Markov Chain Monte Carlo sampling of the posterior probability distributions. This generality empowers any astronomer to capitalize on the plethora of published synthetic and observed spectra, and make precise inferences for a host of astrophysical (and nuisance) quantities. Model intensities can be reliably approximated from existing grids of synthetic or observed spectra using linear multi-dimensional interpolation, or a Cannon-based model. Additional phenomena that transform the data (e.g., redshift, rotational broadening, continuum, spectral resolution) are incorporated as free parameters and can be marginalized away. Outlier pixels (e.g., cosmic rays or poorly modeled regimes) can be treated with a Gaussian mixture model, and a noise model is included to account for systematically underestimated variance. Combining these phenomena into a scalar-justified, quantitative model permits precise inferences with credible uncertainties on noisy data. I describe the common model features, the implementation details, and the default behavior, which is balanced to be suitable for most astronomical applications. Using a forward model on low-resolution, high signal

  4. sick: The Spectroscopic Inference Crank

    NASA Astrophysics Data System (ADS)

    Casey, Andrew R.

    2016-03-01

    There exists an inordinate amount of spectral data in both public and private astronomical archives that remain severely under-utilized. The lack of reliable open-source tools for analyzing large volumes of spectra contributes to this situation, which is poised to worsen as large surveys successively release orders of magnitude more spectra. In this article I introduce sick, the spectroscopic inference crank, a flexible and fast Bayesian tool for inferring astrophysical parameters from spectra. sick is agnostic to the wavelength coverage, resolving power, or general data format, allowing any user to easily construct a generative model for their data, regardless of its source. sick can be used to provide a nearest-neighbor estimate of model parameters, a numerically optimized point estimate, or full Markov Chain Monte Carlo sampling of the posterior probability distributions. This generality empowers any astronomer to capitalize on the plethora of published synthetic and observed spectra, and make precise inferences for a host of astrophysical (and nuisance) quantities. Model intensities can be reliably approximated from existing grids of synthetic or observed spectra using linear multi-dimensional interpolation, or a Cannon-based model. Additional phenomena that transform the data (e.g., redshift, rotational broadening, continuum, spectral resolution) are incorporated as free parameters and can be marginalized away. Outlier pixels (e.g., cosmic rays or poorly modeled regimes) can be treated with a Gaussian mixture model, and a noise model is included to account for systematically underestimated variance. Combining these phenomena into a scalar-justified, quantitative model permits precise inferences with credible uncertainties on noisy data. I describe the common model features, the implementation details, and the default behavior, which is balanced to be suitable for most astronomical applications. Using a forward model on low-resolution, high signal

  5. 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/

  6. Infrared spectroscopic imaging of renal tumor tissue

    NASA Astrophysics Data System (ADS)

    Šablinskas, Valdas; Urbonienė, Vidita; Ceponkus, Justinas; Laurinavicius, Arvydas; Dasevicius, Darius; Jankevičius, Feliksas; Hendrixson, Vaiva; Koch, Edmund; Steiner, Gerald

    2011-09-01

    Fourier transform infrared (FTIR) spectroscopic imaging has been used to probe the biochemical composition of human renal tumor tissue and adjacent normal tissue. Freshly resected renal tumor tissue from surgery was prepared as a thin cryosection and examined by FTIR spectroscopic imaging. Tissue types could be discriminated by utilizing a combination of fuzzy k-means cluster analysis and a supervised classification algorithm based on a linear discriminant analysis. The spectral classification is compared and contrasted with the histological stained image. It is further shown that renal tumor cells have spread in adjacent normal tissue. This study demonstrates that FTIR spectroscopic imaging can potentially serve as a fast and objective approach for discrimination of renal tumor tissue from normal tissue and even in the detection of tumor infiltration in adjacent tissue.

  7. Spectroscopic fingerprint of phase-incoherent superconductivity in the cuprate pseudogap state [corrected].

    PubMed

    Lee, Jhinhwan; Fujita, K; Schmidt, A R; Kim, Chung Koo; Eisaki, H; Uchida, S; Davis, J C

    2009-08-28

    A possible explanation for the existence of the cuprate "pseudogap" state is that it is a d-wave superconductor without quantum phase rigidity. Transport and thermodynamic studies provide compelling evidence that supports this proposal, but few spectroscopic explorations of it have been made. One spectroscopic signature of d-wave superconductivity is the particle-hole symmetric "octet" of dispersive Bogoliubov quasiparticle interference modulations. Here we report on this octet's evolution from low temperatures to well into the underdoped pseudogap regime. No pronounced changes occur in the octet phenomenology at the superconductor's critical temperature Tc, and it survives up to at least temperature T approximately 1.5 Tc. In this pseudogap regime, we observe the detailed phenomenology that was theoretically predicted for quasiparticle interference in a phase-incoherent d-wave superconductor. Thus, our results not only provide spectroscopic evidence to confirm and extend the transport and thermodynamics studies, but they also open the way for spectroscopic explorations of phase fluctuation rates, their effects on the Fermi arc, and the fundamental source of the phase fluctuations that suppress superconductivity in underdoped cuprates.

  8. The spectroscopic Hertzsprung-Russell diagram of Galactic massive stars

    NASA Astrophysics Data System (ADS)

    Castro, N.; Fossati, L.; Langer, N.; Simón-Díaz, S.; Schneider, F. R. N.; Izzard, R. G.

    2014-10-01

    The distribution of stars in the Hertzsprung-Russell diagram narrates their evolutionary history and directly assesses their properties. Placing stars in this diagram however requires the knowledge of their distances and interstellar extinctions, which are often poorly known for Galactic stars. The spectroscopic Hertzsprung-Russell diagram (sHRD) tells similar evolutionary tales, but is independent of distance and extinction measurements. Based on spectroscopically derived effective temperatures and gravities of almost 600 stars, we derive for the first time the observational distribution of Galactic massive stars in the sHRD. While biases and statistical limitations in the data prevent detailed quantitative conclusions at this time, we see several clear qualitative trends. By comparing the observational sHRD with different state-of-the-art stellar evolutionary predictions, we conclude that convective core overshooting may be mass-dependent and, at high mass (≳15 M⊙), stronger than previously thought. Furthermore, we find evidence for an empirical upper limit in the sHRD for stars with Teff between 10 000 and 32 000 K and, a strikingly large number of objects below this line. This over-density may be due to inflation expanding envelopes in massive main-sequence stars near the Eddington limit. Appendix A is available in electronic form at http://www.aanda.org

  9. Far Ultraviolet Spectroscopic Explorer Measurements of Interstellar Fluorine

    NASA Astrophysics Data System (ADS)

    Federman, S. R.; Sheffer, Yaron; Lambert, David L.; Smith, V. V.

    2005-02-01

    The source of fluorine is not well understood, although core-collapse supernovae, Wolf-Rayet stars, and asymptotic giant branch stars have been suggested. A search for evidence of the ν-process during Type II supernovae is presented. Absorption from interstellar F I is seen in spectra of HD 208440 and HD 209339A acquired with the Far Ultraviolet Spectroscopic Explorer. In order to extract the column density for F I from the line at 954 Å, absorption from H2 has to be modeled and then removed. Our analysis indicates that for H2 column densities less than about 3×1020 cm-2, the amount of F I can be determined from λ954. For these two sight lines, there is no clear indication for enhanced F abundances resulting from the ν-process in a region shaped by past supernovae. Based on observations made with the NASA/CNES/CSA Far Ultraviolet Spectroscopic Explorer (FUSE), which is operated for NASA by the Johns Hopkins University under NASA contract NAS 5-32985.

  10. Spectroscopic properties of fluorescein and rhodamine dyes attached to DNA.

    PubMed

    Delgadillo, Roberto F; Parkhurst, Lawrence J

    2010-01-01

    We report the spectroscopic properties of fluorescein, x-rhodamine, tetramethyl-rhodamine, attached to single strand, duplex DNA, and to the digestion products by DNAse I. The properties reported include: molar absorptivity, quantum yield, absorbance and fluorescence spectra, fluorescence lifetime, intrinsic lifetime (tau0), static quenching (S) and the Förster critical distances (R0) between fluorescein and x-rhodamine or tetramethyl-rhodamine (acceptors). These spectroscopic properties depend strongly on the local dye environment. Fluorescein was studied: (1) attached to biotin (BF), (2) BF bound to avidin; and attached to two positions in DNA. X-rhodamine and tetramethyl-rhodamine were studied as free dyes and attached at the 5'-end of DNA. We propose a general method to determine the molar absorptivity and tau0 of a dye attached to DNA based on the reaction of a biotinylated and dye-labeled oligomer with standardized avidin. The molar absorptivity of a second dye attached to a DNA duplex can be obtained by comparing spectra of doubly and singly labeled sequences. S, arising from dye-DNA interactions can then be determined. R0 for free and attached dyes showed differences from 1.1 to 4.2 A. We present evidence for the direct interaction of dyes attached to the termini of various single-stranded DNA sequences.

  11. Spectroscopic measurements of solar wind generation

    NASA Technical Reports Server (NTRS)

    Kohl, J. L.; Withbroe, G. L.; Zapata, C. A.; Noci, G.

    1983-01-01

    Spectroscopically observable quantities are described which are sensitive to the primary plasma parameters of the solar wind's source region. The method is discussed in which those observable quantities are used as constraints in the construction of empirical models of various coronal structures. Simulated observations are used to examine the fractional contributions to observed spectral intensities from coronal structures of interest which co-exist with other coronal structures along simulated lines-of-sight. The sensitivity of spectroscopic observables to the physical parameters within each of those structures is discussed.

  12. Development of a THz spectroscopic imaging system.

    PubMed

    Usami, M; Iwamoto, T; Fukasawa, R; Tani, M; Watanabe, M; Sakai, K

    2002-11-07

    We have developed a real-time THz imaging system based on the two-dimensional (2D) electro-optic (EO) sampling technique. Employing the 2D EO-sampling technique, we can obtain THz images using a CCD camera at a video rate of up to 30 frames per second. A spatial resolution of 1.4 mm was achieved. This resolution was reasonably close to the theoretical limit determined by diffraction. We observed not only static objects but also moving ones. To acquire spectroscopic information, time-domain images were collected. By processing these images on a computer, we can obtain spectroscopic images. Spectroscopy for silicon wafers was demonstrated.

  13. Localized and Spectroscopic Orbitals: Squirrel Ears on Water.

    ERIC Educational Resources Information Center

    Martin, R. Bruce

    1988-01-01

    Reexamines the electronic structure of water considering divergent views. Discusses several aspects of molecular orbital theory using spectroscopic molecular orbitals and localized molecular orbitals. Gives examples for determining lowest energy spectroscopic orbitals. (ML)

  14. Localized and Spectroscopic Orbitals: Squirrel Ears on Water.

    ERIC Educational Resources Information Center

    Martin, R. Bruce

    1988-01-01

    Reexamines the electronic structure of water considering divergent views. Discusses several aspects of molecular orbital theory using spectroscopic molecular orbitals and localized molecular orbitals. Gives examples for determining lowest energy spectroscopic orbitals. (ML)

  15. Asiago spectroscopic classification of AT 2016cvm

    NASA Astrophysics Data System (ADS)

    Tomasella, L.; Pastorello, A.; Benetti, S.; Cappellaro, E.; Elias-Rosa, N.; Ochner, P.; Tartaglia, L.; Terreran, G.; Turatto, M.

    2016-06-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of AT 2016cvm (also known as PTSS-16hxs), discovered 20160613.771 by the PMO-Tsinghua Supernova Survey (PTSS) The observation was performed with the Asiago 1.82 m Copernico Telescope (+AFOSC; range 340-820 nm; resolution 1.4 nm).

  16. Asiago spectroscopic classification of 2 SNe candidates

    NASA Astrophysics Data System (ADS)

    Ochner, P.; Pastorello, A.; Benetti, S.; Cappellaro, E.; Elias-Rosa, N.; Tomasella, L.; Turatto, M.; Terreran, G.

    2017-01-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of SN 2017lf and SN 2017ms. The targets were supplied by the Tsinghua-NAOC Transient Survey (TNTS) and the PMO-Tsinghua Supernova Survey (PTSS).

  17. Nanoantenna-Enhanced Infrared Spectroscopic Chemical Imaging.

    PubMed

    Kühner, Lucca; Hentschel, Mario; Zschieschang, Ute; Klauk, Hagen; Vogt, Jochen; Huck, Christian; Giessen, Harald; Neubrech, Frank

    2017-05-26

    Spectroscopic infrared chemical imaging is ideally suited for label-free and spatially resolved characterization of molecular species, but often suffers from low infrared absorption cross sections. Here, we overcome this limitation by utilizing confined electromagnetic near-fields of resonantly excited plasmonic nanoantennas, which enhance the molecular absorption by orders of magnitude. In the experiments, we evaporate microstructured chemical patterns of C60 and pentacene with nanometer thickness on top of homogeneous arrays of tailored nanoantennas. Broadband mid-infrared spectra containing plasmonic and vibrational information were acquired with diffraction-limited resolution using a two-dimensional focal plane array detector. Evaluating the enhanced infrared absorption at the respective frequencies, spatially resolved chemical images were obtained. In these chemical images, the microstructured chemical patterns are only visible if nanoantennas are used. This confirms the superior performance of our approach over conventional spectroscopic infrared imaging. In addition to the improved sensitivity, our technique provides chemical selectivity, which would not be available with plasmonic imaging that is based on refractive index sensing. To extend the accessible spectral bandwidth of nanoantenna-enhanced spectroscopic imaging, we employed nanostructures with dual-band resonances, providing broadband plasmonic enhancement and sensitivity. Our results demonstrate the potential of nanoantenna-enhanced spectroscopic infrared chemical imaging for spatially resolved characterization of organic layers with thicknesses of several nanometers. This is of potential interest for medical applications which are currently hampered by state-of-art infrared techniques, e.g., for distinguishing cancerous from healthy tissues.

  18. Asiago spectroscopic classification of two SNe

    NASA Astrophysics Data System (ADS)

    Benetti, S.; Cappellaro, E.; Elias-Rosa, N.; Ochner, P.; Pastorello, A.; Terreran, G.; Tomasella, L.; OAPd, M. Turatto (INAF

    2016-09-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of two transients. The targets are supplied by the All Sky Automated Survey for SuperNOvae (ASAS-SN) and the TNS (https://wis-tns.weizmann.ac.il).

  19. 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.

  20. Asiago spectroscopic classification of ASASSN-15db

    NASA Astrophysics Data System (ADS)

    Ochner, P.; Pastorello, A.; Benetti, S.; Cappellaro, E.; Elias-Rosa, N.; Tartaglia, L.; Terreran, G.; Tomasella, L.; Turatto, M.

    2015-02-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic observation of ASASSN-15db in NGC 5996. The observation was performed with the Asiago 1.82m Copernico Telescope (+AFOSC; range 340-820 nm; resolution 1.4 nm), equipped with the CCD Andor IKON L936.

  1. Spectroscopic classification of three supernovae candidates

    NASA Astrophysics Data System (ADS)

    Bose, Subhash; Dong, Subo; Sun, Fengwu; Prieto, Jose L.; Stanek, K. Z.

    2017-08-01

    We report optical spectroscopic observation of supernova candidates ASASSN-17kr (2017gas), ASASSN-17kz (2017gea) and Gaia17bzv (2017fzy) done on UT 2017-08-18, with DBSP mounted on the Hale 5m telescope at Palomar Observatory.

  2. Spectroscopic mode identification of γ Doradus stars

    NASA Astrophysics Data System (ADS)

    Brunsden, E.; Pollard, K. R.; Cottrell, P. L.; Wright, D. J.; Cat, P. De

    2017-09-01

    The g-mode pulsations in γ Doradus stars are identified using time-series colour photometry and high-resolution spectroscopy. For 22 class members the pulsational frequencies and modes are compared. Ground-based spectroscopic and photometric results show good agreement. The prevalence of (1, |1|) modes is noted and examined.

  3. Asiago spectroscopic classification of SN 2017fof

    NASA Astrophysics Data System (ADS)

    Tomasella, L.; Benetti, S.; Cappellaro, E.

    2017-07-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of AT 2017fof, discovered by S. Leonini, M. Conti, L.M. Tinjaca Ramirez and P. Rosi (Italian Supernovae Search Project, ISSP) in UGC 10602.

  4. Asiago spectroscopic classification of SN 2017ati.

    NASA Astrophysics Data System (ADS)

    Benetti, S.; Tomasella, L.; Cappellaro, E.; Elias-Rosa, N.; Ochner, P.; Pastorello, A.; Turatto, M.; Terreran, G.

    2017-02-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic observation of Gaia17aiq. The target was supplied by Gaia Photometric Science Alerts programme . The observation was performed with the Asiago 1.82m Copernico Telescope (+AFOSC; range 340-820 nm; resolution 1.4 nm). Survey name | IAU name | Host galaxy | Disc.

  5. Pulsating variable stars and large spectroscopic surveys

    NASA Astrophysics Data System (ADS)

    De Cat, Peter

    2017-09-01

    In the past decade, the research of pulsating variable stars has taken a giant leap forward thanks to the photometric measurements provided by space missions like Most, CoRoT, Kepler/K2, and Brite. These missions have provided quasi uninterrupted photometric time-series with an ultra-high quality and a total length that is not achievable from Earth. However, many of the success stories could not have been told without ground-based spectroscopic follow-up observations. Indeed, spectroscopy has some important assets as it can provide (more) accurate information about stellar parameters (like the effective temperature, surface gravity, metallicity, and abundances that are mandatory parameters for an in-depth asteroseismic study), the radial velocity (that is important for the detection of binaries and for the confirmation of cluster membership, if applicable), and the projected rotational velocity (that allows the study of the effects of rotation on pulsations). Fortunately, several large spectroscopic surveys are (becoming) available that can be used for these purposes. For some of these surveys, sub-projects have been initiated with the specific goal to complement space-based photometry. In this review, several spectroscopic surveys are introduced and compared with each other. We show that a large amount of spectroscopic data is (becoming) available for a large variety of objects.

  6. Spectroscopic mode identification in gamma Doradus stars

    NASA Astrophysics Data System (ADS)

    Rylvia Pollard, Karen

    2015-08-01

    The MUSICIAN programme at the University of Canterbury has been successfully identifying frequencies and pulsation modes in many gamma Doradus stars using hundreds of precise, high resolution spectroscopic observations. This paper describes some of these frequency and mode identifications and the emerging patterns of the programme.

  7. Raman spectroscopic study of a genetically altered kidney cell

    NASA Astrophysics Data System (ADS)

    Joshi, Joel; Garcia, Francisco; Centeno, Silvia P.; Joshi, N. V.

    2008-02-01

    A Raman spectroscopic investigation of a genetically altered Human Embryonic Kidney Cell (HEK293) along with a pathologically normal cell has been carried out by a conventional method. The genetic alteration was carried out with a standard protocol by using a Green Fluorescence Protein (GFP). Raman spectra show that there are dramatic differences between the spectrum obtained from a genetically altered cell and that obtained from a pathologically normal cell. The former shows three broad bands; meanwhile the latter shows several sharp peaks corresponding to the ring vibrational modes of Phen, GFP and DNA. The present analysis provides an indication that the force field near Phen located at 64, 65 and 66 was altered during the genetic transformation. The Raman spectrum could be a direct experimental evidence for substantial modifications triggered due to the expression of specific genes.

  8. Spectroscopic characterization of a contemporary Indian miniature painting.

    PubMed

    Cardeira, Ana Mafalda; Longelin, Stéphane; Le Gac, Agnès; Nogueira, Isabel; Carvalho, Maria Luísa; Manso, Marta

    2013-12-01

    A case study on a contemporary Indian miniature was carried out through the application of different spectroscopic techniques. Painting support, pigments, and dyes were largely characterized by means of energy dispersive x-ray fluorescence and Raman microspectroscopy directly on the artwork. Regarding golden motifs and silvered areas, for which these techniques have not provided enough information, scanning electron microscopy coupled with energy dispersive x-ray spectroscopy was used as a complementary technique. The painting support was identified as the Bombyx mori silk. Among the colorant matters, several pigments were identified such as chrome yellow, lithopone, hematite, lamp black, mica-titania pearlescent pigment, and tin-based metallic silver, and dyes such as phthalocyanine blue and the recent synthetic pigment red PR9 naphthol AS. All this materials will provide evidence in the support of the contemporary production of the artwork for future studies.

  9. Raman spectroscopic study of "The Malatesta": a Renaissance painting?

    PubMed

    Edwards, Howell G M; Vandenabeele, Peter; Benoy, Timothy J

    2015-02-25

    Raman spectroscopic analysis of the pigments on an Italian painting described as a "Full Length Portrait of a Gentleman", known also as the "Malatesta", and attributed to the Renaissance period has established that these are consistent with the historical research provenance undertaken earlier. Evidence is found for the early 19th Century addition of chrome yellow to highlighted yellow ochre areas in comparison with a similar painting executed in 1801 by Sir Thomas Lawrence of John Kemble in the role of Hamlet, Prince of Denmark. The Raman data are novel in that no analytical studies have previously been made on this painting and reinforces the procedure whereby scientific analyses are accompanied by parallel historical research.

  10. Raman spectroscopic analysis of a 'noli me tangere' painting.

    PubMed

    Hibberts, Stephen; Edwards, Howell G M; Abdel-Ghani, Mona; Vandenabeele, Peter

    2016-12-13

    The discovery of an oil painting in seriously damaged condition with an important historical and a heterodox detail with possible origins in the late fifteenth century has afforded the opportunity for Raman microscopic analysis prior to its restoration being undertaken. The painting depicts a risen Christ following His crucifixion in a 'noli me tangere' pose with three women in an Italian terrace garden with a stone balustrade overlooking a rural landscape and an undoubted view of late-medieval Florence. The picture has suffered much abuse and is in very poor condition, which is possibly attributable to its controversial portrayal of a polydactylic Christ with six toes on His right foot. By the late sixteenth century, after the Council of Trent, this portrayal would almost certainly have been frowned upon by the Church authorities or more controversially as a depiction of the holy. Raman spectroscopic analysis of the pigments places the painting as being consistent chronologically with the Renaissance period following the identification of cinnabar, haematite, red lead, lead white, goethite, verdigris, caput mortuum and azurite with no evidence of more modern synthetic pigments or of modern restoration having been carried out. An interesting pigment mixture found here is that of the organic dye carmine and cinnabar to produce a particular bright red pigment coloration. Stratigraphic examination of the paint fragments has demonstrated the presence of an orange resin layer immediately on top of the canvas substrate, effectively rendering the pigment as a sandwich between this substratal resin and the overlying varnish. The Raman spectroscopic evidence clearly indicates that an attribution of the artwork to the Renaissance is consistent with the scientific analysis of the pigment composition.This article is part of the themed issue 'Raman spectroscopy in art and archaeology'. © 2016 The Author(s).

  11. Raman spectroscopic analysis of a `noli me tangere' painting

    NASA Astrophysics Data System (ADS)

    Hibberts, Stephen; Edwards, Howell G. M.; Abdel-Ghani, Mona; Vandenabeele, Peter

    2016-12-01

    The discovery of an oil painting in seriously damaged condition with an important historical and a heterodox detail with possible origins in the late fifteenth century has afforded the opportunity for Raman microscopic analysis prior to its restoration being undertaken. The painting depicts a risen Christ following His crucifixion in a `noli me tangere' pose with three women in an Italian terrace garden with a stone balustrade overlooking a rural landscape and an undoubted view of late-medieval Florence. The picture has suffered much abuse and is in very poor condition, which is possibly attributable to its controversial portrayal of a polydactylic Christ with six toes on His right foot. By the late sixteenth century, after the Council of Trent, this portrayal would almost certainly have been frowned upon by the Church authorities or more controversially as a depiction of the holy. Raman spectroscopic analysis of the pigments places the painting as being consistent chronologically with the Renaissance period following the identification of cinnabar, haematite, red lead, lead white, goethite, verdigris, caput mortuum and azurite with no evidence of more modern synthetic pigments or of modern restoration having been carried out. An interesting pigment mixture found here is that of the organic dye carmine and cinnabar to produce a particular bright red pigment coloration. Stratigraphic examination of the paint fragments has demonstrated the presence of an orange resin layer immediately on top of the canvas substrate, effectively rendering the pigment as a sandwich between this substratal resin and the overlying varnish. The Raman spectroscopic evidence clearly indicates that an attribution of the artwork to the Renaissance is consistent with the scientific analysis of the pigment composition. This article is part of the themed issue "Raman spectroscopy in art and archaeology".

  12. Raman spectroscopic analysis of a belltower commemorative wall decoration

    NASA Astrophysics Data System (ADS)

    Fernandes, R. F.; de Oliveira, L. F. C.; Edwards, H. G. M.; Brooke, C. J.; Pepper, M.

    2017-02-01

    The Raman spectroscopic analysis of a rare wall decoration in a church belltower, depicting the initials of couples married there in circular roundels over some 230 years, since 1777, has been undertaken prior to their impending restoration. The spectral data indicate that the red pigment is exclusively haematite which has been applied to plaster which exhibits the signatures variously of calcite, gypsum, anhydrite, calcium phosphate and dolomitic limestone; evidence of amorphous carbon is attributed to the deposition of soot from candle illumination, which has been recorded in historical documentation. The presence of biosignatures attributed to carotenoids in several samples is evidence of biological colonisation and potential deterioration which requires special treatment in the restoration strategies. The blackened areas near the upper edges of the wall decoration indicate carbon deposition and organic contamination. The latest addition to the decoration accomplished in 2008 shows that haematite has been used over a calcite ground. In earlier dated specimens, the presence of limewash is evident, which has only been partially converted into calcite by aerial attack from carbon dioxide in moist conditions.

  13. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor)

    2010-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted simultaneously with native fluorescence spectroscopy to provide high levels of sensitivity and specificity in the same instrument.

  14. Are your spectroscopic data being used?

    NASA Astrophysics Data System (ADS)

    Gordon, Iouli E.; Potterbusch, Megan R.; Bouquin, Daina; Erdmann, Christopher C.; Wilzewski, Jonas S.; Rothman, Laurence S.

    2016-09-01

    The issue of availability of data and their presentation in spectroscopic publications is discussed. Different current practices are critically reviewed from the point of view of potential users, government policies, and merit of success of the authors. Indeed, properly providing the data benefits not only users but also the authors of the spectroscopic research. We will show that this increases citations to the spectroscopy papers and visibility of the research groups. Examples based on the statistical analyses of the articles published in the Journal of Molecular Spectroscopy will be shown. We will discuss different methods including supplementary materials to the Journals, public-curated databases and also new tools that can be utilized by spectroscopists.

  15. Integrated photonics for infrared spectroscopic sensing

    NASA Astrophysics Data System (ADS)

    Lin, Hongtao; Kita, Derek; Han, Zhaohong; Su, Peter; Agarwal, Anu; Yadav, Anupama; Richardson, Kathleen; Gu, Tian; Hu, Juejun

    2017-05-01

    Infrared (IR) spectroscopy is widely recognized as a gold standard technique for chemical analysis. Traditional IR spectroscopy relies on fragile bench-top instruments located in dedicated laboratory settings, and is thus not suitable for emerging field-deployed applications such as in-line industrial process control, environmental monitoring, and point-ofcare diagnosis. Recent strides in photonic integration technologies provide a promising route towards enabling miniaturized, rugged platforms for IR spectroscopic analysis. Chalcogenide glasses, the amorphous compounds containing S, Se or Te, have stand out as a promising material for infrared photonic integration given their broadband infrared transparency and compatibility with silicon photonic integration. In this paper, we discuss our recent work exploring integrated chalcogenide glass based photonic devices for IR spectroscopic chemical analysis, including on-chip cavityenhanced chemical sensing and monolithic integration of mid-IR waveguides with photodetectors.

  16. 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.; hide

    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.

  17. Spectroscopic investigation of highly transient pinch plasmas

    SciTech Connect

    Bergmann, K.; Engel, A.; Lebert, R.; Rosmej, O.N.; Rosmej, F.B.; Gavrilescu, C.; Neff, W.

    1997-11-01

    The temporal evolution of neon pinch plasmas, generated in a 2 kJ plasma focus device, has been investigated by x-ray spectroscopic methods for two sets of device parameters. These two sets lead to characteristic differences of the K-shell emission. Stationary models are shown to fail to explain the experimental observations even qualitatively. Transient spectra analysis shows that the characteristic differences observed can be referred to different transient modes of plasma dynamics. The spectra analysis includes beside resonance lines also dielectronic satellites and recombination continua. The results concerning the development of the plasma parameters achieved by the spectra modeling are supported by independent measurements of the time resolved K-shell emission and by optical streak images of the pinch plasma dynamics, which confirms the reliability of the transient spectroscopic analysis presented. {copyright} {ital 1997} {ital The American Physical Society}

  18. Spectroscopic Chemical Analysis Methods and Apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor); Bhartia, Rohit (Inventor); Lane, Arthur L. (Inventor)

    2017-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted along with photoluminescence spectroscopy (i.e. fluorescence and/or phosphorescence spectroscopy) to provide high levels of sensitivity and specificity in the same instrument.

  19. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor)

    2009-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted simultaneously with native fluorescence spectroscopy to provide high levels of sensitivity and specificity in the same instrument.

  20. Spectroscopic Imaging of Strongly Correlated Electronic States

    NASA Astrophysics Data System (ADS)

    Yazdani, Ali; da Silva Neto, Eduardo H.; Aynajian, Pegor

    2016-03-01

    The study of correlated electronic systems from high-Tc cuprates to heavy-fermion systems continues to motivate the development of experimental tools to probe electronic phenomena in new ways and with increasing precision. In the past two decades, spectroscopic imaging with scanning tunneling microscopy has emerged as a powerful experimental technique. The combination of high energy and spatial resolutions provided by this technique reveals unprecedented detail of the electronic properties of strongly correlated metals and superconductors. This review examines specific experiments, theoretical concepts, and measurement methods that have established the application of these techniques to correlated materials. A wide range of applications, such as the study of collective responses to single atomic impurities, the characterization of quasiparticle-like excitations through their interference, and the identification of competing electronic phases using spectroscopic imaging, are discussed.

  1. Far Ultraviolet Spectroscopic Explorer Observations of Capella

    NASA Astrophysics Data System (ADS)

    Young, P. R.; Dupree, A. K.; Wood, B. E.; Redfield, S.; Linsky, J. L.; Ake, T. B.; Moos, H. W.

    2001-07-01

    Far Ultraviolet Spectroscopic Explorer observations of the binary system Capella reveal a rich emission-line spectrum containing neutral and ionic species, among them H I, O I, C III, O VI, S VI, Ne V, and Ne VI. In addition, Fe XVIII λ974.85, formed at temperatures of ~6×106 K, is detected. Whereas the strong transition region lines principally come from the G1 giant, consistent with results from previous ultraviolet observations, Fe XVIII is formed largely in the G8 giant atmosphere. Line ratios from C III suggest densities of (2-8)×1010 cm-3, although anomalous line profiles of the 1176 Å transition may signal optical depth effects. Based on observations made with the NASA-CNES-CSA Far Ultraviolet Spectroscopic Explorer, which is operated for NASA by Johns Hopkins University under NASA contract NAS5-32985.

  2. Spectroscopic Survey of Circumstellar Disks in Orion

    NASA Astrophysics Data System (ADS)

    Contreras, Maria; Hernandez, Jesus; Olguin, Lorenzo; Briceno, Cesar

    2013-07-01

    As a second stage of a project focused on characterizing candidate stars bearing a circumstellar disk in Orion, we present a spectroscopic follow-up of a set of about 170 bright stars. The present set of stars was selected by their optical (UBVRI) and infrared behavior in different color-color and color-magnitude diagrams. Observations were carried out at the Observatorio Astronomico Nacional located at the Sierra San Pedro Martir in B.C., Mexico and at the Observatorio Guillermo Haro in Cananea, Sonora, Mexico. Low-resolution spectra were obtained for all candidates in the sample. Using the SPTCLASS code, we have obtained spectral types and equivalent widths of the Li I 6707 and Halpha lines for each one of the stars. This project is a cornerstone of a large scale survey aimed to obtain stellar parameters in a homogeneous way using spectroscopic data. This work was partially supported by UNAM-PAPIIT grant IN-109311.

  3. Spectroscopic Sensitivity Workout: First-order modes

    NASA Astrophysics Data System (ADS)

    Brown, Thomas

    2003-07-01

    We will observe the primary flux standards G191B2B, GD71 and GD153, obtaining first-order spectra in all L-modes {G191B2B only in the CCD modes due to its high brightness in the UV}. By comparing observed and model spectra, we will update calibration reference files describing spectroscopic sensitivity {and CTE loss} as a function of time. On visit of GD71 will be spent on verifying the recently derived CTE formula for STIS Spectroscopic modes with the CCD, by stepping the target along the slit {7 positions} with two {short} exposure times. This will verify the results using the two-amplifier readout method, and provide high-S/N data at low intensity levels and low background level.

  4. Data Acquisition System for Instructional Spectroscopes

    NASA Astrophysics Data System (ADS)

    Almeida, C. B. S. B.; Hetem, A.

    2014-10-01

    This article aims to present the software for data acquisition developed in scientific initiation program - IC, for use in the design of a spectrometer built by students. The program was built in C++, a language in wide use today. The origin of spectra used is a simplified model of rustic spectroscope. This equipment basically consists of a box that does not allow light to enter, except through a slit made in the side of it, a diffraction media and a camera for data acquisition. After the image acquisition, one executes the data processing, followed by the usual steps of reduction and analysis of this type of tool. We have implemented a method for calibrating the spectroscope, through which one can compare the incidence of the photons with characteristic of each monochromatic wave. The final result is a one-dimensional spectrum that can be subsequently analyzed.

  5. Infrared Spectroscopic Imaging for Prostate Pathology

    DTIC Science & Technology

    2008-03-01

    X (2002) Genetics-based machine learning using fine-grained parallelism for data mining. Doctoral dissertation, Enginyeria i Arquitectura La Salle... Arquitectura La Salle. Ramon Llull University, Barcelona, Catalonia, European Union, February, 2002. [22] X. Llorà and J. Garrell. Knowledge...spectroscopic imaging using an infrared focal-plane array detector. Anal Chem 1995, 67, (19), 3377-81. 9.Bhargava, R.; Wang, S. Q .; Koenig, J. L., FTIR

  6. Spectroscopic diagnostics of tritium recycling in TFTR

    NASA Astrophysics Data System (ADS)

    Skinner, C. H.; Stotler, D. P.; Adler, H.; Ramsey, A. T.

    1995-01-01

    Spectroscopic measurements of tritium Balmer-alpha (Tα) emission from a fusion plasma are presented. A Fabry-Perot interferometer is used to measure the Hα, Dα, Tα spectrum in the current D-T experimental campaign on TFTR and the contributions of H, D, and T are separated by spectral analysis. The Tα line was measurable at concentrations Tα /(Hα+Dα+Tα) down to 2%.

  7. The mass ratio in spectroscopic binaries

    NASA Astrophysics Data System (ADS)

    Ducati, J. R.; Penteado, E. M.; Turcati, R.

    2003-08-01

    The process of formation of binary and multiple stars is not yet fully understood. Possibilities range from simultaneous processes of condensation from the primeval nebula, to isolated star formation and eventual capture to form a double system. Models exist that predict success probabilities for each theoretical process, and comparison with observational data is crucial. Spectroscopic binaries are specially suited to be used as observational data, since several biases that can arise from general catalogues of binary stars can be avoided, including dominance of systems with large separations between components. A very important parameter in these studies is the mass ratio, the quocient of the masses of primary and secundary members. The histogram of mass ratios provides crucial information to models of binary formation, linked to condensation processes and evolutionaty rates.In this case, spectroscopic binaries can be chosen as the observational sample, provided that the spectrum of the primary is from a non-evolved, main-sequence star,whose mass can be derived reliably from its spectral type. Defining an adequate limiting magnitude (6.5), one avoids bias from eclipsing systems with high inclinations, since nearly all systems up to 6.5 mag were detected. In this paper, a critical review is presented of the existing methods for deriving the distribution of the mass ratios from spectroscopic binary orbital data. After showing the incorrectness of some results published in the litterature, the available data (Batten's 8th Catalogue, 1989) is discussed. Simulations for several distributions of mass ratios (constant, quadratic, etc) are performed. It is shown that the existing data permits only to assert that the spectroscopic binaries with small mass ratios (q < 0.4) are more frequent that those with large mass ratios (q = 0.9 to 1.0).

  8. Spectroscopic classification of Gaia16alf

    NASA Astrophysics Data System (ADS)

    Onori, F.; Fraser, M.; Jonker, P.; Wyrzykowski, L.; Blagorodnova, N.; Mattila, S.

    2016-04-01

    We report the spectroscopic classification of Gaia16alf, from medium resolution (R~1000; 330-990nm) spectra taken with the William Herschel Telescope + ISIS + R300B/R158R on the night of 2016 April 19. The spectrum is consistent with that of a Type Ia SN a few days before maximum light at a redshift of z=0.094.

  9. Studying Young Stars with Large Spectroscopic Surveys

    NASA Astrophysics Data System (ADS)

    Martell, Sarah L.

    2016-01-01

    Galactic archaeology is the study of the history of star formation and chemical evolution in the Milky Way, based on present-day stellar populations. Studies of young stars are a key anchor point for Galactic archaeology, since quantities like the initial mass function and the star formation rate can be studied directly in young clusters and star forming regions. Conversely, massive spectroscopic Galactic archaeology surveys can be used as a data source for young star studies.

  10. Spectroscopic Gradients in Early-type Galaxies

    NASA Astrophysics Data System (ADS)

    Buzzoni, A.; Battistini, C.; Carrasco, L.; Recillas, E.

    2009-11-01

    We review some relevant properties of the observed changes of Hβ, Mg_2, and FeI Lick indices across the surface of 25 bright elliptical galaxies. The impact of these spectroscopic gradients is briefly discussed, in the framework of the leading physical mechanisms that led to galaxy formation. In particular, three relevant evolutionary scenarios are sketched, each one able, in principle, to consistently match galaxy spectral properties and effectively constrain the composing stellar populations in these systems.

  11. Spectroscopic madness - A golden age for amateurs

    NASA Astrophysics Data System (ADS)

    Eversberg, Thomas

    2011-01-01

    Today, professional instrumentation is dominated by heavily oversubscribed telescopes which focus mainly on a limited number of ``fashionable'' research topics. As a result, time acquisition for massive star research including extended observation campaigns, becomes more difficult. On the other hand, massive star investigations by amateur astronomers performing spectroscopic measurements are on a level which can fulfil professional needs. I describe the instrumentation available to the amateurs, their observational skills and the potential contribution they can make to the professional community.

  12. Spectroscopic-guided brain tumor resection

    NASA Astrophysics Data System (ADS)

    Lin, Wei-Chiang; Toms, Steven A.; Jansen, E. Duco; Mahadevan-Jansen, Anita

    2000-05-01

    A pilot in vivo study was conducted to investigate the feasibility of using optical spectroscopy for brain tumor margin detection. Fluorescence and diffuse reflectance spectra were acquired using a portable clinical spectroscopic system from normal brain tissues, tumors, and tumor margins in 21 brain tumor patients undergoing craniotomy. Results form this study show the potential of optical spectroscopy in detecting infiltrating tumor margins of primary brain tumors.

  13. Spectroscopic Sensitivity Workout: First-order modes

    NASA Astrophysics Data System (ADS)

    Brown, Thomas

    2001-07-01

    This program is the basic sensitivity measurement for all supported MAMA and CCD first-order spectroscopic modes. It is run once in Cycle 10. Sensitivity measurements are done for all supported tilts of the gratings, at a S/N suitable to any particular setting, in order to get all measurements done in a reasonable number of orbits but still get a very accurate sensitivity measurement. Data for the newly available "pseudo-apertures" near CCD row 900 are also taken.

  14. 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.

  15. Spectroscopic studies of individual plasmon resonant nanoparticles

    NASA Astrophysics Data System (ADS)

    Mock, Jack J.; Smith, David R.; Barbic, Mladen; Oldenburg, Steven J.; Schultz, David A.; Schultz, Sheldon

    2003-11-01

    We present a detailed description of the apparatus and techniques that we have utilized in our experimental study of individual plas on resonant nanoparticles,along with a brief description of some major results. The apparatus consists of a spectroscopic system combined with a modified darkfield microscope, which enables the user to sequentially select individual resonant nanostructures in the microscopic field of view for spectroscopic study. Plasmon resonant nanostructures scatter light elastically,and typically have very large scattering cross-sections at their resonant optical wavelengths. In general, spectra can be obtained with acquisition times between .1 to 30 seconds,and color images can be captured using consumer digital color cameras. Spheres,tetrahedrons,and pentagonal platelets were fabricated using colloidal chemistry techniques. To produce highly anisotropic structures such as nanorods and "barbells", templates were used. Many of these nanostructures have been individually spectroscopically characterized,and their spectra correlated with their shape and size as determined by transmission electron icroscope (TEM). The unique shape,size, composition,and dielectric surroundings of the individual plasmon resonant nanostructures determine their plasmon resonant behavior. We will show how the composition of the substrate on which the particles are immobilized and the dielectric of the surrounding medium have a significant effect on the plasmon resonance of the individual particles.

  16. Spectroscopic Follow Up of Kepler Planet Candidates

    NASA Astrophysics Data System (ADS)

    Latham, David W.; Cochran, W. D.; Marcy, G. W.; Buchhave, L.; Endl, M.; Isaacson, H.; Gautier, T. N.; Borucki, W. J.; Koch, D.; Kepler Team

    2010-01-01

    Spectroscopic follow-up observations play a crucial role in the confirmation and characterization of transiting planet candidates identified by Kepler. The most challenging part of this work is the determination of radial velocities with a precision approaching 1 m/s in order to derive masses from spectroscopic orbits. The most precious resource for this work is HIRES on Keck I, to be joined by HARPS-North on the William Herschel Telescope when that new spectrometer comes on line in two years. Because a large fraction of the planet candidates are in fact stellar systems involving eclipsing stars and not planets, our strategy is to start with reconnaissance spectroscopy using smaller telescopes, to sort out and reject as many of the false positives as possible before going to Keck. During the first Kepler observing season in 2009, more than 100 nights of telescope time were allocated for this work, using high-resolution spectrometers on the Lick 3.0-m Shane Telescope, the McDonald 2.7-m Reflector, the 2.5-m Nordic Optical Telescope, and the 1.5-m Tillinghast Reflector at the Whipple observatory. In this paper we will summarize the scope and organization of the spectroscopic follow-up observations, showing examples of the types of false positives found and ending with a presentation of the characteristics of a confirmed planet.

  17. Spectroscopic studies of the transplutonium elements

    SciTech Connect

    Carnall, W.T.; Conway, J.G.

    1983-01-01

    The challenging opportunity to develop insights into both atomic structure and the effects of bonding in compounds makes the study of actinide spectroscopy a particularly fruitful and exciting area of scientific endeavor. It is also the interpretation of f-element spectra that has stimulated the development of the most sophisticated theoretical modeling attempted for any elements in the periodic table. The unique nature of the spectra and the wealth of fine detail revealed make possible sensitive tests of both physical models and the results of Hartree-Fock type ab initio calculations. This paper focuses on the unique character of heavy actinide spectroscopy. It discusses how it differs from that of the lighter member of the series and what are the special properties that are manifested. Following the introduction, the paper covers the following: (1) the role of systematic studies and the relationships of heavy-actinide spectroscopy to ongoing spectroscopic investigations of the lighter members of the series; (2) atomic (free-ion) spectra which covers the present status of spectroscopic studies with transplutonium elements, and future needs and directions in atomic spectroscopy; (3) the spectra of actinide compounds which covers the present status and future directions of spectroscopic studies with compounds of the transplutonium elements; and other spectroscopies. 1 figure, 2 tables.

  18. The Dark Energy Spectroscopic Instrument (DESI)

    SciTech Connect

    Flaugher, Brenna

    1998-03-01

    The Dark Energy Spectroscopic Instrument (DESI) is a Stage IV ground-based dark energy experiment that will study baryon acoustic oscillations (BAO) and the growth of structure through redshift-space distortions with a wide-area galaxy and quasar spectroscopic redshift survey. The DESI instrument consists of a new wide- eld (3.2 deg. linear eld of view) corrector plus a multi-object spectrometer with up to 5000 robotically positioned optical bers and will be installed at prime focus on the Mayall 4m telescope at Kitt Peak, Arizona. The bers feed 10 three-arm spectrographs producing spectra that cover a wavelength range from 360-980 nm and have resolution of 2000-5500 depending on the wavelength. The DESI instrument is designed for a 14,000 sq. deg. multi-year survey of targets that trace the evolution of dark energy out to redshift 3.5 using the redshifts of luminous red galaxies (LRGs), emission line galaxies (ELGs) and quasars. DESI is the successor to the successful Stage-III BOSS spectroscopic redshift survey and complements imaging surveys such as the Stage-III Dark Energy Survey (DES, currently operating) and the Stage-IV Large Synoptic Survey Telescope (LSST, planned start early in the next decade.

  19. Infrared spectroscopic imaging of kidney tumor tissue

    NASA Astrophysics Data System (ADS)

    Sablinskas, V.; Steiner, G.; Koch, E.; Ceponkus, J.; Pucetaite, M.; Strazdaite, S.; Urboniene, V.; Jankevicius, F.

    2011-02-01

    Infrared spectroscopic imaging of cancerous kidney tissue was performed by means of FTIR microscopy. The spectra of thin tissue cryosections were collected with 64x64 MCT FPA detector and imaging area was increased up to 5.4×5.4 mm by mapping by means of PC controlled x,y stage. Chemical images of the samples were constructed using statistical treatment of the raw spectra. Several unsupervised and supervised statistical methods were used. The imaging results are compared with results of the standard histopathological analysis. It was concluded that application of method of cluster analysis ensures the best contrast of the images. It was found that border between cancerous and normal tissues visible in the infrared spectroscopic image corresponds with the border visible in histopathological image. Closer examination of the infrared spectroscopic image reveals that small domains of cancerous cells are found beyond the border in areas distant from the border up to 3 mm. Such domains are not visible in the histopathological images. The smallest domains found in the infrared images are approx. 60 μm.

  20. 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.

  1. 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.

  2. The STIS CCD Spectroscopic Line Spread Functions

    NASA Technical Reports Server (NTRS)

    Gull, T.; Lindler, D.; Tennant, D.; Bowers, C.; Grady, C.; Hill, R. S.; Malumuth, E.

    2002-01-01

    We characterize the spectroscopic line spread functions of the spectroscopic CCD modes for high contrast objects. Our long range goal is to develop tools that accurately extract spectroscopic information of faint, point or extended sources in the vicinity of bright, point sources at separations approaching the realizable angular limits of HST with STIS. Diffracted and scattered light due to the HST optics, and scattered light effects within the STIS are addressed. Filter fringing, CCD fringing, window reflections, and scattering within the detector and other effects are noted. We have obtained spectra of several reference stars, used for flux calibration or for coronagraphic standards, that have spectral distributions ranging from very red to very blue. Spectra of each star were recorded with the star in the aperture and with the star blocked by either the F1 or F2 fiducial. Plots of the detected starlight along the spatial axis of the aperture are provided for four stars. With the star in the aperture, the line spread function is quite noticeable. Placing the star behind one of the fiducials cuts the scattered light and the diffracted light, is detectable even out to 1OOOOA. When the star is placed behind either fiducial, the scattered and diffracted light components, at three arcseconds displacement from the star, are below lop6 the peak of the star at wavelengths below 6000A; at the same angular distance, scattered light does contaminate the background longward of 6000A up to a level of 10(exp -5).

  3. 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

  4. Electrochemical and spectroscopic characterization of surface sol-gel processes.

    PubMed

    Chen, Xiaohong; Wilson, George S

    2004-09-28

    (3-Mercaptopropyl)trimethoxysilane (MTS) forms a unique film on a platinum substrate by self-assembly and sol-gel cross-linking. The gelating and drying states of the self-assembled MTS sol-gel films were probed by use of electrochemical and spectroscopic methods. The thiol moiety was the only active group within the sol-gel network. Gold nanoparticles were employed to detect the availability of the thiol group and their interaction further indicated the physicochemical states of the sol-gel inner structure. It was found that the thiol groups in the open porous MTS aerogel matrix were accessible to the gold nanoparticles while thiol groups in the compact MTS xerogel network were not accessible to the gold nanoparticles. The characteristics of the sol-gel matrix change with time because of its own irreversible gelating and drying process. The present work provides direct evidence of gold nanoparticle binding with thiol groups within the sol-gel structures and explains the different permeability of "aerogel" and "xerogel" films of MTS on the basis of electrochemical and spectroscopic results. Two endogenous species, hydrogen peroxide and ascorbic acid, were used to test the permeability of the self-assembled sol-gel film in different states. The MTS xerogel film on the platinum electrode was extremely selective against ascorbic acid while maintaining high sensitivity to hydrogen peroxide in contrast to the relatively high permeability of ascorbic acid in the MTS aerogel film. This study showed the potential of the MTS sol-gel film as a nanoporous material in biosensor development.

  5. Nonplanar property study of antifungal agent tolnaftate-spectroscopic approach

    NASA Astrophysics Data System (ADS)

    Arul Dhas, D.; Hubert Joe, I.; Roy, S. D. D.; Balachandran, S.

    2011-09-01

    Vibrational analysis of the thionocarbamate fungicide tolnaftate which is antidermatophytic, antitrichophytic and antimycotic agent, primarily inhibits the ergosterol biosynthesis in the fungus, was carried out using NIR FT-Raman and FTIR spectroscopic techniques. The equilibrium geometry, various bonding features, harmonic vibrational wavenumbers and torsional potential energy surface (PES) scan studies have been computed using density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA.4 program. Vibrational spectra, natural bonding orbital (NBO) analysis and optimized molecular structure show the clear evidence for electronic interaction of thionocarbamate group with aromatic ring. Predicted electronic absorption spectrum from TD-DFT calculation has been compared with the UV-vis spectrum. The Mulliken population analysis on atomic charges and the HOMO-LUMO energy were also calculated. Vibrational analysis reveals that the simultaneous IR and Raman activation of the C-C stretching mode in the phenyl and naphthalene ring provide evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity as a fungicide.

  6. THE APOKASC CATALOG: AN ASTEROSEISMIC AND SPECTROSCOPIC JOINT SURVEY OF TARGETS IN THE KEPLER FIELDS

    SciTech Connect

    Pinsonneault, Marc H.; Epstein, Courtney; Johnson, Jennifer A.; Elsworth, Yvonne; Chaplin, William J.; Hekker, Saskia; Silva Aguirre, Victor; Stello, Dennis; Mészáros, Sz.; García, Rafael A.; Beck, Paul; Mathur, Savita; García Pérez, Ana; Girardi, Léo; Basu, Sarbani; Shetrone, Matthew; Allende Prieto, Carlos; Beers, Timothy C.; and others

    2015-01-01

    We present the first APOKASC catalog of spectroscopic and asteroseismic properties of 1916 red giants observed in the Kepler fields. The spectroscopic parameters provided from the Apache Point Observatory Galactic Evolution Experiment project are complemented with asteroseismic surface gravities, masses, radii, and mean densities determined by members of the Kepler Asteroseismology Science Consortium. We assess both random and systematic sources of error and include a discussion of sample selection for giants in the Kepler fields. Total uncertainties in the main catalog properties are of the order of 80 K in T {sub eff}, 0.06 dex in [M/H], 0.014 dex in log g, and 12% and 5% in mass and radius, respectively; these reflect a combination of systematic and random errors. Asteroseismic surface gravities are substantially more precise and accurate than spectroscopic ones, and we find good agreement between their mean values and the calibrated spectroscopic surface gravities. There are, however, systematic underlying trends with T {sub eff} and log g. Our effective temperature scale is between 0 and 200 K cooler than that expected from the infrared flux method, depending on the adopted extinction map, which provides evidence for a lower value on average than that inferred for the Kepler Input Catalog (KIC). We find a reasonable correspondence between the photometric KIC and spectroscopic APOKASC metallicity scales, with increased dispersion in KIC metallicities as the absolute metal abundance decreases, and offsets in T {sub eff} and log g consistent with those derived in the literature. We present mean fitting relations between APOKASC and KIC observables and discuss future prospects, strengths, and limitations of the catalog data.

  7. Spectroscopic imaging based approach for condom identification in condom contaminated fingermarks.

    PubMed

    Bradshaw, Robert; Wolstenholme, Rosalind; Ferguson, Leesa Susanne; Sammon, Chris; Mader, Kerstin; Claude, Emmanuelle; Blackledge, Robert D; Clench, Malcolm R; Francese, Simona

    2013-05-07

    Sexual offenders are increasingly reported to use condoms while committing the crime, mainly to prevent the transfer of DNA evidence. Although condoms are often removed from the crime scene, vaginal swabs can be taken from the victim to prove the presence of condom lubricants and therefore evidence of corpus delicti. However, late reporting to the police and the tendency of the victim to wash immediately after the crime, may compromise the detection of condom lubricants. Recently we showed that Matrix-Assisted Laser Desorption/Ionisation MS Imaging (MALDI MSI) of condom contaminated fingermarks enables images of the fingermark ridge pattern to be obtained simultaneously with the detection of the condom lubricant for two condom brands, thus becoming a potential alternative way to link the assailant to the crime. Building on the value of this information, it would be advantageous to identify the condom brand used during the sexual assault. Here we show the development of a multidisciplinary spectroscopic approach, including MALDI MSI, MS/MS, Raman microscopy and ATR-FTIR spectroscopy, applied to a range of condom brands/types. The techniques have complementary features and provide complementary information to retrieve a "condom brand spectroscopic fingerprint". Unique spectroscopic profiles would greatly aid in the screening and identification of the condom, thus adding intelligence to the case under investigation.

  8. Hybrid pigments resulting from several guest dyes onto γ-alumina host: A spectroscopic analysis

    NASA Astrophysics Data System (ADS)

    Pérez, Erik; Ibarra, Ilich A.; Guzmán, Ariel; Lima, Enrique

    2017-02-01

    The synthesis of hybrid pigments was made from combination of γ-Al2O3 and some organic chromophores such as carminic acid, alizarin, purpurin, curcumin, fluorescein and betacyanins. The γ-Al2O3 was obtained through sol-gel synthesis with 2-propanol and aluminium tri-sec-butoxide (ATB). This article presents some spectroscopic evidences related to the formation of aluminium complexes between coordinative unsaturated sites (CUS) of aluminium and some organic groups (carboxylic acid, quaternary ammonium and β-keto enol) present in the chromophores structure. The physicochemical properties upcoming from a spectroscopic analysis point out that these materials can be applied in the design of new materials with potential uses in artworks and in the field of cultural heritage.

  9. Interaction of digestive enzymes with tunable light emitting quantum dots: a thorough Spectroscopic investigation.

    PubMed

    Ellappan, Vaishnavi; Kesavan, Manibalan; Ramalingam, Parameshwari; Kulandaivel, Jeganathan; Rajalingam, Renganathan

    2015-11-01

    In this article, we have examined the direct spectroscopic and microscopic evidence of efficient quantum dots-α-chymotrypsin (ChT) interaction. The intrinsic fluorescence of digestive enzyme is reduced in the presence of quantum dots through ground-state complex formation. Based on the fluorescence data, quenching rate constant, binding constant, and number of binding sites are calculated under optimized experimental conditions. Interestingly, fluorescence quenching method clearly illustrated the size dependent interaction of MPA-CdTe quantum dots. Conformational change of ChT was traced using synchronous fluorescence measurements, circular dichroism and FTIR spectroscopic methods. Furthermore, the AFM results revealed that the individual enzyme molecule dimensions were changed after interacting with quantum dot. Consequently, this result could be helpful for constructing safe and effective utilisation of QDs in biological applications. Copyright © 2015 John Wiley & Sons, Ltd.

  10. Hybrid pigments resulting from several guest dyes onto γ-alumina host: A spectroscopic analysis.

    PubMed

    Pérez, Erik; Ibarra, Ilich A; Guzmán, Ariel; Lima, Enrique

    2017-02-05

    The synthesis of hybrid pigments was made from combination of γ-Al2O3 and some organic chromophores such as carminic acid, alizarin, purpurin, curcumin, fluorescein and betacyanins. The γ-Al2O3 was obtained through sol-gel synthesis with 2-propanol and aluminium tri-sec-butoxide (ATB). This article presents some spectroscopic evidences related to the formation of aluminium complexes between coordinative unsaturated sites (CUS) of aluminium and some organic groups (carboxylic acid, quaternary ammonium and β-keto enol) present in the chromophores structure. The physicochemical properties upcoming from a spectroscopic analysis point out that these materials can be applied in the design of new materials with potential uses in artworks and in the field of cultural heritage.

  11. 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.

  12. PRIMitive Asteroids Spectroscopic Survey - PRIMASS: First Results

    NASA Astrophysics Data System (ADS)

    de Leon, Julia; Pinilla-Alonso, Noemi; Campins, Humberto; Lorenzi, Vania; Licandro, Javier; Morate, David; Tanga, Paolo; Cellino, Alberto; Delbo, Marco

    2015-11-01

    NASA OSIRIS-REx and JAXA Hayabusa 2 sample-return missions have targeted two near-Earth asteroids: (101955) Bennu and (162173) 1999 JU3, respectively. These are primitive asteroids that are believed to originate in the inner belt, where five distinct sources have been identified: four primitive collisional families (Polana, Erigone, Sulamitis, and Clarissa), and a population of low-albedo and low-inclination background asteroids. Identifying and characterizing the populations from which these two NEAs might originate will enchance the science return of the two missions.With this main objective in mind, we initiated in 2010 a spectroscopic survey in the visible and the near-infrared to characterize the primitive collisional families in the inner belt and the low-albedo background population. This is the PRIMitive Asteroids Spectroscopic Survey - PRIMASS. So far we have obtained more than 200 spectra using telescopes located at different observatories. PRIMASS uses a variety of ground based facilities. Most of the spectra have been obtained using the 10.4m Gran Telescopio Canarias (GTC), and the 3.6m Telescopio Nazionale Galileo (TNG), both located at the El Roque de los Muchachos Observatory (La Palma, Spain), and the 3.0m NASA Infrared Telescope Facility on Mauna Kea (Hawai, USA).We present the first results from our on-going survey (de Leon et al. 2015; Pinilla-Alonso et al. 2015; Morate et al. 2015), focused on the Polana and the Erigone primitive families, with visible and near-infrared spectra of more than 200 objects, most of them with no previous spectroscopic data. Our survey is already the largest database of primitive asteroids spectra, and we keep obtaining data on the Sulamitis and the Clarissa families, as well as on the background low-albedo population.

  13. THIRTY NEW LOW-MASS SPECTROSCOPIC BINARIES

    SciTech Connect

    Shkolnik, Evgenya L.; Hebb, Leslie; Cameron, Andrew C.; Liu, Michael C.; Neill Reid, I. E-mail: Andrew.Cameron@st-and.ac.u E-mail: mliu@ifa.hawaii.ed

    2010-06-20

    As part of our search for young M dwarfs within 25 pc, we acquired high-resolution spectra of 185 low-mass stars compiled by the NStars project that have strong X-ray emission. By cross-correlating these spectra with radial velocity standard stars, we are sensitive to finding multi-lined spectroscopic binaries. We find a low-mass spectroscopic binary fraction of 16% consisting of 27 SB2s, 2 SB3s, and 1 SB4, increasing the number of known low-mass spectroscopic binaries (SBs) by 50% and proving that strong X-ray emission is an extremely efficient way to find M-dwarf SBs. WASP photometry of 23 of these systems revealed two low-mass eclipsing binaries (EBs), bringing the count of known M-dwarf EBs to 15. BD-22 5866, the ESB4, was fully described in 2008 by Shkolnik et al. and CCDM J04404+3127 B consists of two mid-M stars orbiting each other every 2.048 days. WASP also provided rotation periods for 12 systems, and in the cases where the synchronization time scales are short, we used P{sub rot} to determine the true orbital parameters. For those with no P{sub rot}, we used differential radial velocities to set upper limits on orbital periods and semimajor axes. More than half of our sample has near-equal-mass components (q > 0.8). This is expected since our sample is biased toward tight orbits where saturated X-ray emission is due to tidal spin-up rather than stellar youth. Increasing the samples of M-dwarf SBs and EBs is extremely valuable in setting constraints on current theories of stellar multiplicity and evolution scenarios for low-mass multiple systems.

  14. Exploring the spectroscopic properties of relic radiogalaxies

    NASA Astrophysics Data System (ADS)

    Capetti, A.; Robinson, A.; Baldi, R. D.; Buttiglione, S.; Axon, D. J.; Celotti, A.; Chiaberge, M.

    2013-03-01

    From an optical spectroscopic survey of 3CR radiogalaxies (RGs) with z < 0.3, we discovered three objects characterized by an extremely low level of gas excitation and a large deficit of line emission with respect to RGs of similar radio luminosity. We interpreted these objects as relic active galactic nuclei (AGN), i.e., sources observed after a large drop in their nuclear activity. We here present new spectroscopic observations for these three galaxies and for a group of "candidate" relics. None of the candidates can be convincingly confirmed. From the new data for the three relics, we estimate the density of the line-emitting gas. This enables us to explore the temporal evolution of the line ratios after the AGN "death". The characteristic timescale is the light-crossing time of the emission-line region, a few ~103 years, too short to correspond to a substantial population of relic RGs. Additional mechanisms of gas ionization, such as "relic shocks" from their past high power phase or stellar sources, should also be considered to account for the spectroscopic properties of the relic RGs. Relic RGs appear to be a mixed bag of sources in different phases of evolution, including AGN recently (~104 years ago) quenched, galaxies that have been inactive for at least ~106 years, and objects caught during the transition from a powerful RG to a low power FR I source. Based on observations made with the Italian Telescopio Nazionale Galileo operated on the island of La Palma by the Centro Galileo Galilei of INAF (Istituto Nazionale di Astrofisica) at the Spanish Observatorio del Roque del los Muchachos of the Instituto de Astrofisica de Canarias.

  15. Are your Spectroscopic Data Being Used?

    NASA Astrophysics Data System (ADS)

    Gordon, Iouli E.; Rothman, Laurence S.; Wilzewski, Jonas

    2014-06-01

    Spectroscopy is an established and indispensable tool in science, industry, agriculture, medicine, surveillance, etc.. The potential user of spectral data, which is not available in HITRAN or other databases, searches the spectroscopy publications. After finding the desired publication, the user very often encounters the following problems: 1) They cannot find the data described in the paper. There can be many reasons for this: nothing is provided in the paper itself or supplementary material; the authors are not responding to any requests; the web links provided in the paper have long been broken; etc. 2) The data is presented in a reduced form, for instance through the fitted spectroscopic constants. While this is a long-standing practice among spectroscopists, there are numerous serious problems with this practice, such as users getting different energy and intensity values because of different representations of the solution to the Hamiltonian, or even just despairing of trying to generate usable line lists from the published constants. Properly providing the data benefits not only users but also the authors of the spectroscopic research. We will show that this increases citations to the spectroscopy papers and visibility of the research groups. We will also address the quite common issue when researchers obtain the data, but do not feel that they have time, interest or resources to write an article describing it. There are modern tools that would allow one to make these data available to potential users and still get credit for it. However, this is a worst case scenario recommendation, i.e., publishing the data in a peer-reviewed journal is still the preferred way. L. S. Rothman, I. E. Gordon, et al. "The HITRAN 2012 molecular spectroscopic database," JQSRT 113, 4-50 (2013).

  16. Extracting spectroscopic factors from direct reactions

    NASA Astrophysics Data System (ADS)

    Jones, Kate

    2009-10-01

    Direct reactions have been used to probe the structure of the nucleus for decades. After some decline in the 80's and 90's these methods have more recently had a surge in popularity, and new techniques have been added to the experimentalists toolbox. One goal of direct reaction experiments is to extract spectroscopic factors (SFs), related to the shell occupancy. SFs extracted from neutron knockout reactions show reductions, compared to the theoretical value, that are related to the neutron separation energy [1], whereas SFs from the well-established (e,e'p) reaction on stable nuclei are consistently 50% - 60% lower than those expected from the independent-particle shell model [2] over a wide range of masses. pardAs the extraction of spectroscopic factors from direct reaction measurements requires the comparison of data with calculated differential cross sections, the results are by nature model dependent. The influence of different scattering (commonly optical), and bound state potentials, should not be over-looked. Recent attempts to reanalyze single-neutron transfer data using a consistent approach have shown agreement with large basis shell model calculations [3], clearly conflicting with both the (e,e'p) and the knockout data. It has been suggested that the Asymptotic Normalization Coefficient (ANC) is a more valid quantity to extract when the reaction is peripheral [4]. spectroscopic factors are, how they are extracted and what they really mean will be discussed in this talk.[4pt] [1] Alexandra Gade, and Thomas Glasmacher, Prog Part. Nucl. Phys. 60 (2008) 161-224.[0pt] [2] G.J. Kramer, H.P. Blok, and L. Lapik'as, Nucl. Phys. A679 (2001) 267-286.[0pt] [3] Jenny Lee, M.B. Tsang, and W.G. Lynch, Phys. Rev C 75, (2007), 064320.[0pt] [4] D.Y. Pan, F.M. Nunes, and A.M. Mukhamedzhanov, Phys. Rev. C 75, (2007) 024601.

  17. Observatory software for the Maunakea Spectroscopic Explorer

    NASA Astrophysics Data System (ADS)

    Vermeulen, Tom; Isani, Sidik; Withington, Kanoa; Ho, Kevin; Szeto, Kei; Murowinski, Rick

    2016-07-01

    The Canada-France-Hawaii Telescope is currently in the conceptual design phase to redevelop its facility into the new Maunakea Spectroscopic Explorer (MSE). MSE is designed to be the largest non-ELT optical/NIR astronomical telescope, and will be a fully dedicated facility for multi-object spectroscopy over a broad range of spectral resolutions. This paper outlines the software and control architecture envisioned for the new facility. The architecture will be designed around much of the existing software infrastructure currently used at CFHT as well as the latest proven opensource software. CFHT plans to minimize risk and development time by leveraging existing technology.

  18. Spectroscopic methods in gas hydrate research.

    PubMed

    Rauh, Florian; Mizaikoff, Boris

    2012-01-01

    Gas hydrates are crystalline structures comprising a guest molecule surrounded by a water cage, and are particularly relevant due to their natural occurrence in the deep sea and in permafrost areas. Low molecular weight molecules such as methane and carbon dioxide can be sequestered into that cage at suitable temperatures and pressures, facilitating the transition to the solid phase. While the composition and structure of gas hydrates appear to be well understood, their formation and dissociation mechanisms, along with the dynamics and kinetics associated with those processes, remain ambiguous. In order to take advantage of gas hydrates as an energy resource (e.g., methane hydrate), as a sequestration matrix in (for example) CO(2) storage, or for chemical energy conservation/storage, a more detailed molecular level understanding of their formation and dissociation processes, as well as the chemical, physical, and biological parameters that affect these processes, is required. Spectroscopic techniques appear to be most suitable for analyzing the structures of gas hydrates (sometimes in situ), thus providing access to such information across the electromagnetic spectrum. A variety of spectroscopic methods are currently used in gas hydrate research to determine the composition, structure, cage occupancy, guest molecule position, and binding/formation/dissociation mechanisms of the hydrate. To date, the most commonly applied techniques are Raman spectroscopy and solid-state nuclear magnetic resonance (NMR) spectroscopy. Diffraction methods such as neutron and X-ray diffraction are used to determine gas hydrate structures, and to study lattice expansions. Furthermore, UV-vis spectroscopic techniques and scanning electron microscopy (SEM) have assisted in structural studies of gas hydrates. Most recently, waveguide-coupled mid-infrared spectroscopy in the 3-20 μm spectral range has demonstrated its value for in situ studies on the formation and dissociation of gas

  19. Vibrational spectroscopic study of fluticasone propionate

    NASA Astrophysics Data System (ADS)

    Ali, H. R. H.; Edwards, H. G. M.; Kendrick, J.; Scowen, I. J.

    2009-03-01

    Fluticasone propionate is a synthetic glucocorticoid with potent anti-inflammatory activity that has been used effectively in the treatment of chronic asthma. The present work reports a vibrational spectroscopic study of fluticasone propionate and gives proposed molecular assignments on the basis of ab initio calculations using BLYP density functional theory with a 6-31G* basis set and vibrational frequencies predicted within the quasi-harmonic approximation. Several spectral features and band intensities are explained. This study generated a library of information that can be employed to aid the process monitoring of fluticasone propionate.

  20. Spectroscopic observation of 5 SN candidates

    NASA Astrophysics Data System (ADS)

    Elias-Rosa, N.; Pursimo, T.; Korhonen, H.; Pastorello, A.; Derlopa, the NEON school PhD students S.; Marian, V.; Scognamiglio, D.; Szigeti, L.; Cabezas, M.; Fernandes, C. S.; McWhirter, P. R.; Zervas, K.

    2017-09-01

    We report the spectroscopic classification of SNe 2017gla, 2017glz, 2017gop, and 2017gqq, and the verification of SN2017gmr. The targets were supplied by the following surveys: ATLAS survey, see Tonry et al. (2011, PASP, 123, 58) and Tonry et al. (ATel #8680); Pan-STARRS Survey for Transients (Chambers et al. 2016, arXiv:1612.05560, and http://pswww.ifa.hawaii.edu ), the PMO-Tsinghua Supernova Survey (PTSS, http://www.cneost.org/ptss/ ); and the D The observations were performed with the 2.56 m Nordic Optical Telescope equipped with ALFOSC (range 350-950 nm; resolution 1.4 nm FWHM).

  1. The Spectroscopic study of 33Ar

    NASA Astrophysics Data System (ADS)

    Adimi, N.; Dominguez-Reyes, R.; Alcorta, M.; Bey, A.; Blank, B.; Borge, M. J. G.; de Oliveira Santos, F.; Dossat, C.; Fynbo, H. O. U.; Giovinazzo, J.; Knudsen, H. H.; Madurga, M.; Matea, I.; Perea, A.; Sümmerer, K.; Tengblad, O.; Thomas, J. C.

    2011-10-01

    The proton-rich nucleus 33Ar has been produced at the low-energy facility SPIRAL at GANIL. Spectroscopic studies of gamma and p emission of this nucleus were performed with the "Silicon Cube" detection system. The analysis of proton and gamma singles and coincidence spectra allowed us to establish a complete decay scheme of this nucleus. The comparison of the Gamow-Teller strength distribution deduced from our experiment and the theoretical one obtained with the Shell Model permitted the determination of a quenching factor for the Gamow-Teller strength.

  2. UV Spectroscopic Indices of Galactic Globular Clusters

    NASA Astrophysics Data System (ADS)

    Morales-Hernández, J.; Chávez, M.; Bertone, E.; Buzzoni, A.; Bressan, A.

    2009-03-01

    We present the calculation of a set of 12 mid-ultraviolet (1900-3200 Å) spectroscopic indices for a sample of 15 galactic globular clusters (GGC) observed with the International Ultraviolet Explorer (IUE). We explore the dependence of the indices on age and metal abundance. We found that five indices (BL 2538, Fe II 2609, Mg II 2800, Mg I 2852 and Mg Wide) display a remarkably good correlation with [Fe/H]. With respect to age, only one index (BL 2740) shows a good correlation. Results from theoretical simple stellar populations well reproduce the global trends of indices vs. [Fe/H].

  3. Asiago spectroscopic observation of four transients

    NASA Astrophysics Data System (ADS)

    Ochner, P.; Benetti, S.; Cappellaro, E.; Elias-Rosa, N.; Pastorello, A.; Tartaglia, L.; Terreran, G.; Tomasella, L.; Turatto, M.

    2015-08-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of PSN J23164332+3359476 in UGC 12474, discovered by C. Emmanouilidi; PS15bom in SDSS J232637.06-001723.0, discovered by the PS1 Science Consortium (Atel #7864); PSN J02484234+1418454 in UGC 2282, discovered by S. Leonini, M. Conti, P. Rosi, L.M. Tinjaca Ramirez and G. Guerrini of the Italian Supernovae Search Project (ISSP); and ASASSN-15mr, discovered by the All Sky Automated Survey for SuperNovae (ASAS-SN; ATel #7811).

  4. The Spectroscopic study of {sup 33}Ar

    SciTech Connect

    Adimi, N.; Dominguez-Reyes, R.; Alcorta, M.; Borge, M. J. G.; Perea, A.; Tengblad, O.; Bey, A.; Blank, B.; Dossat, C.; Giovinazzo, J.; Matea, I.; Fynbo, H. O. U.; Knudsen, H. H.; Suemmerer, K.

    2011-10-28

    The proton-rich nucleus {sup 33}Ar has been produced at the low-energy facility SPIRAL at GANIL. Spectroscopic studies of gamma and p emission of this nucleus were performed with the 'Silicon Cube' detection system. The analysis of proton and gamma singles and coincidence spectra allowed us to establish a complete decay scheme of this nucleus. The comparison of the Gamow-Teller strength distribution deduced from our experiment and the theoretical one obtained with the Shell Model permitted the determination of a quenching factor for the Gamow-Teller strength.

  5. Panspermia: Evidence from Astronomy to Meteorites

    NASA Astrophysics Data System (ADS)

    Wickramasinghe, N. C.; Wallis, J.; Wallis, D. H.

    2013-05-01

    The theory of cometary panspermia is reviewed in relation to evidence from astronomy, biology and recent studies of meteorites. The spectroscopic signatures in interstellar material within our galaxy and in external galaxies that have been known for many years most plausibly represent evidence for the detritus of life existing on a cosmic scale. Such spectral features discovered in galaxies of high redshift points to life arising at a very early stage in the history of the Universe. Evidence of fossils of microscopic life forms in meteorites that have been discussed over several decades, and augmented recently with new data, reaffirms the case for cometary panspermia.

  6. Panspermia: Evidence from Astronomy to Meteorites

    NASA Astrophysics Data System (ADS)

    Wickramasinghe, N. C.; Wallis, J.; Wallis, D. H.

    The theory of cometary panspermia is reviewed in relation to evidence from astronomy, biology, and recent studies of meteorites. The spectroscopic signatures in interstellar material within our galaxy and in external galaxies that have been known for many years most plausibly represent evidence for the detritus of life existing on a cosmic scale. Such spectral features discovered in galaxies of high redshift points to life arising at a very early stage in the history of the Universe. Evidence of fossils of microscopic life forms in meteorites that have been discussed over several decades, and augmented recently with new data, reaffirms the case for cometary panspermia.

  7. Volcanic glass signatures in spectroscopic survey of newly proposed lunar pyroclastic deposits

    USGS Publications Warehouse

    Besse, S.; Sunshine, J.M.; Gaddis, L.R.

    2014-01-01

    Moon Mineralogy Mapper spectroscopic observations are used to assess the mineralogy of five sites that have recently been proposed to include lunar dark mantle deposits (DMDs). Volcanic glasses have, for the first time, clearly been identified at the location of three of the proposed pyroclastic deposits. This is the first time that volcanic glasses have been identified at such a small scale on the lunar surface from remote sensing observations. Deposits at Birt E, Schluter, and Walther A appear to be glassy DMDs. Deposits at Birt E and Schluter show (1) morphological evidence suggesting a likely vent and (2) mineralogical evidence indicative of the presence of volcanic glasses. The Walther A deposits, although they show no morphological evidence of vents, have the spectroscopic characteristics diagnostic of volcanic glasses. The deposits of the Freundlich-Sharonov basin are separated in two areas: (1) the Buys-Ballot deposits lack mineralogical and morphological evidence and thus are found to be associated with mare volcanism not with DMDs and (2) the Anderson crater deposits, which do not exhibit glassy DMD signatures, but they appear to be associated with possible vent structures and so may be classifiable as DMDs. Finally, dark deposits near the crater Kopff are found to be associated with likely mare volcanism and not associated with DMDs. The spectral identification of volcanic glass seen in many of the potential DMDs is a strong indicator of their pyroclastic origin.

  8. Spectroscopic enhancement in nanoparticles embedded glasses

    SciTech Connect

    Sahar, M. R. Ghoshal, S. K.

    2014-09-25

    This presentation provides an overview of the recent progress in the enhancement of the spectroscopic characteristics of the glass embedded with nanoparticles (NPs). Some of our research activities with few significantly new results are highlighted and facilely analyzed. The science and technology dealing with the manipulation of the physical properties of rare earth doped inorganic glasses by embedding metallic NPs or nanoclusters produce the so-called 'nanoglass'. Meanwhile, the spectroscopic enhancement relates the intensity of the luminescence measured at certain transition. The enhancement which expectedly due to the 'plasmonics wave' (referring to the coherent coupling of photons to free electron oscillations called plasmon) occurs at the interface between a conductor and a dielectric. Plasmonics being an emerging concept in advanced optical material of nanophotonics has given this material the ability to exploit the optical response at nanoscale and opened up a new avenue in metal-based glass optics. There is a vast array of plasmonic NPs concepts yet to be explored, with applications spanning solar cells, (bio) sensing, communications, lasers, solid-state lighting, waveguides, imaging, optical data transfer, display and even bio-medicine. Localized surface plasmon resonance (LSPR) can enhance the optical response of nanoglass by orders of magnitude as observed. The luminescence enhancement and surface enhanced Raman scattering (SERS) are new paradigm of research. The enhancement of luminescence due to the influence of metallic NPs is the recurring theme of this paper.

  9. Science capabilities of the Maunakea Spectroscopic Explorer

    NASA Astrophysics Data System (ADS)

    Devost, Daniel; McConnachie, Alan; Flagey, Nicolas; Cote, Patrick; Balogh, Michael; Driver, Simon P.; Venn, Kim

    2017-01-01

    The Maunakea Spectroscopic Explorer (MSE) project will transform the CFHT 3.6m optical telescope into a 10m class dedicated multiobject spectroscopic facility, with an ability to simultaneously measure thousands of objects with a spectral resolution range spanning 2,000 to 20,000. The project is currently in design phase, with full science operations nominally starting in 2025. MSE will enable transformational science in areas as diverse as exoplanetary host characterization; stellar monitoring campaigns; tomographic mapping of the interstellar and intergalactic media; the in-situ chemical tagging of the distant Galaxy; connecting galaxies to the large scale structure of the Universe; measuring the mass functions of cold dark matter sub-halos in galaxy and cluster-scale hosts; reverberation mapping of supermassive black holes in quasars. MSE is an essential follow-up facility to current and next generations of multi-wavelength imaging surveys, including LSST, Gaia, Euclid, eROSITA, SKA, and WFIRST, and is an ideal feeder facility for E-ELT, TMT and GMT. I will give an update on the status of the project and review some of the most exciting scientific capabilities of the observatory.

  10. High-Definition Infrared Spectroscopic Imaging

    PubMed Central

    Reddy, Rohith K.; Walsh, Michael J.; Schulmerich, Matthew V.; Carney, P. Scott; Bhargava, Rohit

    2013-01-01

    The quality of images from an infrared (IR) microscope has traditionally been limited by considerations of throughput and signal-to-noise ratio (SNR). An understanding of the achievable quality as a function of instrument parameters, from first principals is needed for improved instrument design. Here, we first present a model for light propagation through an IR spectroscopic imaging system based on scalar wave theory. The model analytically describes the propagation of light along the entire beam path from the source to the detector. The effect of various optical elements and the sample in the microscope is understood in terms of the accessible spatial frequencies by using a Fourier optics approach and simulations are conducted to gain insights into spectroscopic image formation. The optimal pixel size at the sample plane is calculated and shown much smaller than that in current mid-IR microscopy systems. A commercial imaging system is modified, and experimental data are presented to demonstrate the validity of the developed model. Building on this validated theoretical foundation, an optimal sampling configuration is set up. Acquired data were of high spatial quality but, as expected, of poorer SNR. Signal processing approaches were implemented to improve the spectral SNR. The resulting data demonstrated the ability to perform high-definition IR imaging in the laboratory by using minimally-modified commercial instruments. PMID:23317676

  11. Spectroscopic Analysis of Planetary Host Stars

    NASA Astrophysics Data System (ADS)

    Rittipruk, P.; Yushchenko, A.; Kang, Y. W.

    2014-08-01

    We observed the high resolution spectra of extra-solar planet host stars. The spectroscopic data of host stars were observed using the CHIRON echelle spectrometer and R-C Spectrograph for magnetic activity on the SMART-1.5 meter telescope at CTIO, Chile. The analysis of spectroscopic data was performed using URAN and SYNTHE programs. These spectra allow us to determine the effective temperatures, surface gravities, microturbulent velocities and, finally, the chemical composition of the hosts was obtained by spectrum synthesis. One of the targets, namely HD 47536, the host of two planets, appeared to be a halo star with overabundances of neutron capture elements. The effective temperature and the surface gravity of this star are 4400 K and log=1.5 respectively, the iron is underabundant by 0.6 dex. The heavy elements (up to thorium, Z=90) show the overabundances with respect to iron. The signs of accretion of interstellar gas are found in the atmosphere of this star.

  12. EPSILON AURIGAE: AN IMPROVED SPECTROSCOPIC ORBITAL SOLUTION

    SciTech Connect

    Stefanik, Robert P.; Torres, Guillermo; Lovegrove, Justin; Latham, David W.; Zajac, Joseph; Pera, Vivian E.; Mazeh, Tsevi

    2010-03-15

    A rare eclipse of the mysterious object {epsilon} Aurigae will occur in 2009-2011. We report an updated single-lined spectroscopic solution for the orbit of the primary star based on 20 years of monitoring at the CfA, combined with historical velocity observations dating back to 1897. There are 518 new CfA observations obtained between 1989 and 2009. Two solutions are presented. One uses the velocities outside the eclipse phases together with mid-times of previous eclipses, from photometry dating back to 1842, which provide the strongest constraint on the ephemeris. This yields a period of 9896.0 {+-} 1.6 days (27.0938 {+-} 0.0044 years) with a velocity semi-amplitude of 13.84 {+-} 0.23 km s{sup -1} and an eccentricity of 0.227 {+-} 0.011. The middle of the current ongoing eclipse predicted by this combined fit is JD 2,455,413.8 {+-} 4.8, corresponding to 2010 August 5. If we use only the radial velocities, we find that the predicted middle of the current eclipse is nine months earlier. This would imply that the gravitating companion is not the same as the eclipsing object. Alternatively, the purely spectroscopic solution may be biased by perturbations in the velocities due to the short-period oscillations of the supergiant.

  13. The Maunakea Spectroscopic Explorer: Science and Status

    NASA Astrophysics Data System (ADS)

    Hopkins, A.; McConnachie, A.; MSE Team

    2016-10-01

    MSE is a project to replace the current 3.6 m CFHT with a 10 m class, segmented, wide-field telescope that will feed a dedicated suite of multi-object spectrographs, operating at resolutions from R˜2000 to R>20000, and obtaining >3000 spectra per pointing (>> 5 million spectra/yr). It will use much of the existing infrastructure of the current CFHT, including the pier, and will closely approximate the envelope of the existing facility. MSE will be the only fully dedicated, 10 m class, wide-field spectroscopic telescope at first light in ˜ 2025. It will fill arguably the single biggest "missing link" in the international network of astronomical facilities. At optical wavelengths, LSST, WFIRST, Euclid, and Gaia will identify many millions of astrophysically interesting targets that otherwise lack the dedicated, large aperture, spectroscopic followup facilities required to probe their chemodynamical properties. Elsewhere, SKA, eRosita and others will provide a revolution in our understanding of the multiwavelength Universe. Among this capability, MSE will be an essential tool by providing the optical data that will otherwise be chronically absent.

  14. Infrared Spectroscopic Imaging: The Next Generation

    PubMed Central

    Bhargava, Rohit

    2013-01-01

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

  15. Spectroscopic chemical analysis methods and apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F. (Inventor); Reid, Ray D. (Inventor); Bhartia, Rohit (Inventor)

    2013-01-01

    Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. Chemical analysis instruments employed in some embodiments include capillary and gel plane electrophoresis, capillary electrochromatography, high performance liquid chromatography, flow cytometry, flow cells for liquids and aerosols, and surface detection instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted along with photoluminescence spectroscopy (i.e. fluorescence and/or phosphorescence spectroscopy) to provide high levels of sensitivity and specificity in the same instrument.

  16. Spectroscopic enhancement in nanoparticles embedded glasses

    NASA Astrophysics Data System (ADS)

    Sahar, M. R.; Ghoshal, S. K.

    2014-09-01

    This presentation provides an overview of the recent progress in the enhancement of the spectroscopic characteristics of the glass embedded with nanoparticles (NPs). Some of our research activities with few significantly new results are highlighted and facilely analyzed. The science and technology dealing with the manipulation of the physical properties of rare earth doped inorganic glasses by embedding metallic NPs or nanoclusters produce the so-called 'nanoglass'. Meanwhile, the spectroscopic enhancement relates the intensity of the luminescence measured at certain transition. The enhancement which expectedly due to the 'plasmonics wave' (referring to the coherent coupling of photons to free electron oscillations called plasmon) occurs at the interface between a conductor and a dielectric. Plasmonics being an emerging concept in advanced optical material of nanophotonics has given this material the ability to exploit the optical response at nanoscale and opened up a new avenue in metal-based glass optics. There is a vast array of plasmonic NPs concepts yet to be explored, with applications spanning solar cells, (bio) sensing, communications, lasers, solid-state lighting, waveguides, imaging, optical data transfer, display and even bio-medicine. Localized surface plasmon resonance (LSPR) can enhance the optical response of nanoglass by orders of magnitude as observed. The luminescence enhancement and surface enhanced Raman scattering (SERS) are new paradigm of research. The enhancement of luminescence due to the influence of metallic NPs is the recurring theme of this paper.

  17. Spectroscopic Instrumentation in Undergraduate Astronomy Laboratories

    NASA Astrophysics Data System (ADS)

    Ludovici, Dominic; Mutel, Robert Lucien; Lang, Cornelia C.

    2017-01-01

    We have designed and built two spectrographs for use in undergraduate astronomy laboratories at the University of Iowa. The first, a low cost (appx. $500) low resolution (R ~ 150 - 300) grating-prism (grism) spectrometer consists of five optical elements and is easily modified to other telescope optics. The grism spectrometer is designed to be used in a modified filter wheel. This type of spectrometer allows students to undertake projects requiring sensitive spectral measurements, such as determining the redshifts of quasars. The second instrument is a high resolution (R ~ 8000), moderate cost (appx. $5000) fiber fed echelle spectrometer. The echelle spectrometer will allow students to conduct Doppler measurements such as those used to study spectroscopic binaries. Both systems are designed to be used with robotic telescope systems. The availability of 3D printing enables both of these spectrographs to be constructed in hands-on instrumentation courses where students build and commission their own instruments. Additionally, these instruments enable introductory majors and non-majors laboratory students to gain experience conducting their own spectroscopic observations.

  18. Spectroscopic Modeling of Single Element Plasma

    SciTech Connect

    Ghomeishi, Mostafa; Yap, S. L.; Wong, C. S.; Saboohi, S.; Chan, L. S.

    2011-03-30

    A strategy for spectroscopic analysis of single element plasmas is through modeling. An experimental investigation or generation of a specified emission spectrum can be attempted based on the modeling results which are currently under investigating by many researchers in the world. In the emission spectroscopy, the K-shell emission is more interesting than emissions from other shells due to their unique EUV and SXR frequencies that can be applied in various scientific and industrial applications. Population information of our model is based on a steady state kinetic code which is calculated for a given electron temperature and an estimated electron density. Thus for each single element plasma it needs large amounts of experimental or theoretical database. Depending on the parameter of the plasma, theories based on local thermodynamic equilibrium (LTE) and non-LTE are considered. In the non-LTE case, the Corona model is used and the total absolute number densities are calculated based on the ion densities that are related to the electron density corresponds to the mean charge of the ions. The spectra generated by the model can then be compared with spectroscopic data obtained experimentally.

  19. High-definition infrared spectroscopic imaging.

    PubMed

    Reddy, Rohith K; Walsh, Michael J; Schulmerich, Matthew V; Carney, P Scott; Bhargava, Rohit

    2013-01-01

    The quality of images from an infrared (IR) microscope has traditionally been limited by considerations of throughput and signal-to-noise ratio (SNR). An understanding of the achievable quality as a function of instrument parameters, from first principals is needed for improved instrument design. Here, we first present a model for light propagation through an IR spectroscopic imaging system based on scalar wave theory. The model analytically describes the propagation of light along the entire beam path from the source to the detector. The effect of various optical elements and the sample in the microscope is understood in terms of the accessible spatial frequencies by using a Fourier optics approach and simulations are conducted to gain insights into spectroscopic image formation. The optimal pixel size at the sample plane is calculated and shown much smaller than that in current mid-IR microscopy systems. A commercial imaging system is modified, and experimental data are presented to demonstrate the validity of the developed model. Building on this validated theoretical foundation, an optimal sampling configuration is set up. Acquired data were of high spatial quality but, as expected, of poorer SNR. Signal processing approaches were implemented to improve the spectral SNR. The resulting data demonstrated the ability to perform high-definition IR imaging in the laboratory by using minimally-modified commercial instruments.

  20. Spectroscopic investigations of carious tooth decay.

    PubMed

    Thareja, R K; Sharma, A K; Shukla, Shobha

    2008-11-01

    We report on the elemental composition of healthy and infected part of human tooth using laser induced breakdown spectroscopy (LIBS). We have used prominent constituent transitions in laser-excited tooth to diagnose the state of the tooth. A nanosecond laser pulse (355nm, 5ns) was used as an ablating pulse and the sodium (3s2S-3p2P) at 588.99 and (3s2S-3p2P) at 589.99nm, strontium (5s21S-1s5P) at 460.55nm, and calcium (3d3D-4f 3F0) at 452.55nm transitions for spectroscopic analysis. The spectroscopic observations in conjunction with discriminate analysis showed that calcium attached to the hydroxyapatite structure of the tooth was affected severely at the infected part of the tooth. The position-time plots generated from two-dimensional (2D) images conclusively showed a decrease in calcium concentration in the infected region of the irradiated tooth. Using the technique, we could distinguish between the healthy and carious parts of the tooth with significant accuracy.

  1. Spectroscopic Characterization of Isomerization Transition States

    NASA Astrophysics Data System (ADS)

    Baraban, Joshua H.; Changala, Bryan; Mellau, Georg Ch.; Stanton, John F.; Merer, Anthony; Field, Robert W.

    2016-06-01

    Transition state theory is central to our understanding of chemical reaction dynamics. We demonstrate here a method for extracting transition state energies and properties from a characteristic pattern found in frequency domain spectra of isomerizing systems. This pattern, a dip in the spacings of certain barrier-proximal vibrational levels, can be understood using the concept of effective frequency, ωeff. The method is applied to the cis-trans conformational change in the S_1 state of C2H2 and the bond-breaking HCN-HNC isomerization. In both cases, the barrier heights derived from spectroscopic data agree extremely well with previous ab initio calculations. We also show that it is possible to distinguish between vibrational modes that are actively involved in the isomerization process and those that are passive bystanders. (This work has been published in J. H. Baraban, P. B. Changala, G. Ch. Mellau, J. F. Stanton, A. J. Merer, and R. W. Field. Spectroscopic characterization of isomerization transition states. Science, 350(6266):1338--1342, 2015.)

  2. Preparation of cesium targets for gamma-spectroscopic studies

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, S.; Basu, S. K.; Chanda, S.; Deb, P.; Eqbal, Md; Kundu, S.; Joseph, D.

    2000-11-01

    A procedure to prepare monoisotopic cesium compound targets for gamma-spectroscopic experiments is described. Using this procedure, uniform targets up to thicknesses of 0.6-1.2 mg/cm 2 were prepared and used for in-beam spectroscopic studies. The purity of the target was tested by energy dispersive X-ray fluorescence (EDXRF) measurements.

  3. Fundamental spectroscopic studies of carbenes and hydrocarbon radicals

    SciTech Connect

    Gottlieb, C.A.; Thaddeus, P.

    1993-12-01

    Highly reactive carbenes and carbon-chain radicals are studied at millimeter wavelengths by observing their rotational spectra. The purpose is to provide definitive spectroscopic identification, accurate spectroscopic constants in the lowest vibrational states, and reliable structures of the key intermediates in reactions leading to aromatic hydrocarbons and soot particles in combustion.

  4. 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…

  5. Obtaining the Electron Angular Momentum Coupling Spectroscopic Terms, jj

    ERIC Educational Resources Information Center

    Orofino, Hugo; Faria, Roberto B.

    2010-01-01

    A systematic procedure is developed to obtain the electron angular momentum coupling (jj) spectroscopic terms, which is based on building microstates in which each individual electron is placed in a different m[subscript j] "orbital". This approach is similar to that used to obtain the spectroscopic terms under the Russell-Saunders (LS) coupling…

  6. 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…

  7. 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…

  8. Review of spectroscopic parameters for upper atmospheric measurements

    NASA Technical Reports Server (NTRS)

    Smith, M. A. H. (Editor)

    1985-01-01

    The workshop included communication of spectroscopic data requirements for the planned upper atmosphere research satellite (UARS) mission, review of the status of currently available spectroscopic parameters, and recommendation of additional studies. The objectives were accomplished and resulted in a series of general and specific recommendations for laboratory spectroscopy research to meet the needs of UARS and other atmospheric remote sensing programs.

  9. Obtaining the Electron Angular Momentum Coupling Spectroscopic Terms, jj

    ERIC Educational Resources Information Center

    Orofino, Hugo; Faria, Roberto B.

    2010-01-01

    A systematic procedure is developed to obtain the electron angular momentum coupling (jj) spectroscopic terms, which is based on building microstates in which each individual electron is placed in a different m[subscript j] "orbital". This approach is similar to that used to obtain the spectroscopic terms under the Russell-Saunders (LS) coupling…

  10. 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…

  11. Spectroscopic constants and potential energy curves of AsF

    NASA Astrophysics Data System (ADS)

    Latifzadeh, Lida; Balasubramanian, K.

    1996-02-01

    Spectroscopic constants and potential energy curves of 21 electronic states of AsF are computed using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) and multireference singles and doubles configuration interaction (MRSDCI) methods. The computed spectroscopic constants agree with the experimental values for the observed states.

  12. Synthesis, spectroscopic characterization, and determination of the solution association energy of the dimer [Co{N(SiMe3)2}2]2: magnetic studies of low-coordinate Co(II) silylamides [Co{N(SiMe3)2}2L] (L = PMe3, pyridine, and THF) and related species that reveal evidence of very large zero-field splittings.

    PubMed

    Bryan, Aimee M; Long, Gary J; Grandjean, Fernande; Power, Philip P

    2013-10-21

    The synthesis, magnetic, and spectroscopic characteristics of the synthetically useful dimeric cobalt(II) silylamide complex [Co{N(SiMe3)2}2]2 (1) and several of its Lewis base complexes have been investigated. Variable-temperature nuclear magnetic resonance (NMR) spectroscopy of 1 showed that it exists in a monomer-dimer equilibrium in benzene solution and has an association energy (ΔGreacn) of -0.30(20) kcal mol(-1) at 300 K. Magnetic data for the polycrystalline, red-brown [Co{N(SiMe3)2}2]2 (1) showed that it displays strong antiferromagnetic exchange coupling, expressed as -2JexS1S2, between the two S = (3)/2 cobalt(II) centers with a Jex value of -215(5) cm(-1), which is consistent with its bridged dimeric structure in the solid state. The electronic spectrum of 1 in solution is reported for the first time, and it is shown that earlier reports of the melting point, synthesis, electronic spectrum, and magnetic studies of the monomer "Co{N(SiMe3)2}2" are consistent with those of the bright green-colored tetrahydrofuran (THF) complex [Co{N(SiMe3)2}2(THF)] (4). Treatment of 1 with various Lewis bases yielded monomeric three-coordinated species-[Co{N(SiMe3)2}2(PMe3)] (2), and [Co{N(SiMe3)2}2(THF)] (4), as well as the previously reported [Co{N(SiMe3)2}2(py)] (3)-and the four-coordinated species [Co{N(SiMe3)2}2(py)2] (5) in good yields. The paramagnetic complexes 2-4 were characterized by electronic and (1)H NMR spectroscopy, and by X-ray crystallography in the case of 2 and 4. Magnetic studies of 2-5 and of the known three-coordinated cobalt(II) species [Na(12-crown-4)2][Co{N(SiMe3)2}3] (6) showed that they have considerably larger χMT products and, hence, magnetic moments, than the spin-only values of 1.875 emu K mol(-1) and 3.87 μB, which is indicative of a significant zero-field splitting and g-tensor anisotropy resulting from the pseudo-trigonal crystal field. A fit of χMT for 2-6 yields a large g-tensor anisotropy, large negative D-values (between -62 cm(-1

  13. Spectroscopic Needs for Imaging Dark Energy Experiments

    DOE PAGES

    Newman, Jeffrey A.; Slosar, Anze; Abate, Alexandra; ...

    2015-03-15

    Ongoing and near-future imaging-based dark energy experiments are critically dependent upon photometric redshifts (a.k.a. photo-z’s): i.e., estimates of the redshifts of objects based only on flux information obtained through broad filters. Higher-quality, lower-scatter photo-z’s will result in smaller random errors on cosmological parameters; while systematic errors in photometric redshift estimates, if not constrained, may dominate all other uncertainties from these experiments. The desired optimization and calibration is dependent upon spectroscopic measurements for secure redshift information; this is the key application of galaxy spectroscopy for imaging-based dark energy experiments. Hence, to achieve their full potential, imaging-based experiments will require large setsmore » of objects with spectroscopically-determined redshifts, for two purposes: Training: Objects with known redshift are needed to map out the relationship between object color and z (or, equivalently, to determine empirically-calibrated templates describing the rest-frame spectra of the full range of galaxies, which may be used to predict the color-z relation). The ultimate goal of training is to minimize each moment of the distribution of differences between photometric redshift estimates and the true redshifts of objects, making the relationship between them as tight as possible. The larger and more complete our “training set” of spectroscopic redshifts is, the smaller the RMS photo-z errors should be, increasing the constraining power of imaging experiments; Requirements: Spectroscopic redshift measurements for ~30,000 objects over >~15 widely-separated regions, each at least ~20 arcmin in diameter, and reaching the faintest objects used in a given experiment, will likely be necessary if photometric redshifts are to be trained and calibrated with conventional techniques. Larger, more complete samples (i.e., with longer exposure times) can improve photo-z algorithms and reduce

  14. Spectroscopic Needs for Imaging Dark Energy Experiments

    SciTech Connect

    Newman, Jeffrey A.; Slosar, Anze; Abate, Alexandra; Abdalla, Filipe B.; Allam, Sahar; Allen, Steven W.; Ansari, Reza; Bailey, Stephen; Barkhouse, Wayne A.; Beers, Timothy C.; Blanton, Michael R.; Brodwin, Mark; Brownstein, Joel R.; Brunner, Robert J.; Carrasco-Kind, Matias; Cervantes-Cota, Jorge; Chisari, Nora Elisa; Colless, Matthew; Comparat, Johan; Coupon, Jean; Cheu, Elliott; Cunha, Carlos E.; de la Macorra, Alex; Dell’Antonio, Ian P.; Frye, Brenda L.; Gawiser, Eric J.; Gehrels, Neil; Grady, Kevin; Hagen, Alex; Hall, Patrick B.; Hearin, Andrew P.; Hildebrandt, Hendrik; Hirata, Christopher M.; Ho, Shirley; Honscheid, Klaus; Huterer, Dragan; Ivezic, Zeljko; Kneib, Jean -Paul; Kruk, Jeffrey W.; Lahav, Ofer; Mandelbaum, Rachel; Marshall, Jennifer L.; Matthews, Daniel J.; Menard, Brice; Miquel, Ramon; Moniez, Marc; Moos, H. W.; Moustakas, John; Papovich, Casey; Peacock, John A.; Park, Changbom; Rhodes, Jason; Sadeh, Iftach; Schmidt, Samuel J.; Stern, Daniel K.; Tyson, J. Anthony; von der Linden, Anja; Wechsler, Risa H.; Wood-Vasey, W. M.; Zentner, A.

    2015-03-15

    Ongoing and near-future imaging-based dark energy experiments are critically dependent upon photometric redshifts (a.k.a. photo-z’s): i.e., estimates of the redshifts of objects based only on flux information obtained through broad filters. Higher-quality, lower-scatter photo-z’s will result in smaller random errors on cosmological parameters; while systematic errors in photometric redshift estimates, if not constrained, may dominate all other uncertainties from these experiments. The desired optimization and calibration is dependent upon spectroscopic measurements for secure redshift information; this is the key application of galaxy spectroscopy for imaging-based dark energy experiments. Hence, to achieve their full potential, imaging-based experiments will require large sets of objects with spectroscopically-determined redshifts, for two purposes: Training: Objects with known redshift are needed to map out the relationship between object color and z (or, equivalently, to determine empirically-calibrated templates describing the rest-frame spectra of the full range of galaxies, which may be used to predict the color-z relation). The ultimate goal of training is to minimize each moment of the distribution of differences between photometric redshift estimates and the true redshifts of objects, making the relationship between them as tight as possible. The larger and more complete our “training set” of spectroscopic redshifts is, the smaller the RMS photo-z errors should be, increasing the constraining power of imaging experiments; Requirements: Spectroscopic redshift measurements for ~30,000 objects over >~15 widely-separated regions, each at least ~20 arcmin in diameter, and reaching the faintest objects used in a given experiment, will likely be necessary if photometric redshifts are to be trained and calibrated with conventional techniques. Larger, more complete samples (i.e., with longer exposure times) can improve photo-z algorithms and reduce scatter

  15. Super-resolution spectroscopic microscopy via photon localization.

    PubMed

    Dong, Biqin; Almassalha, Luay; Urban, Ben E; Nguyen, The-Quyen; Khuon, Satya; Chew, Teng-Leong; Backman, Vadim; Sun, Cheng; Zhang, Hao F

    2016-07-25

    Traditional photon localization microscopy analyses only the spatial distributions of photons emitted by individual molecules to reconstruct super-resolution optical images. Unfortunately, however, the highly valuable spectroscopic information from these photons have been overlooked. Here we report a spectroscopic photon localization microscopy that is capable of capturing the inherent spectroscopic signatures of photons from individual stochastic radiation events. Spectroscopic photon localization microscopy achieved higher spatial resolution than traditional photon localization microscopy through spectral discrimination to identify the photons emitted from individual molecules. As a result, we resolved two fluorescent molecules, which were 15 nm apart, with the corresponding spatial resolution of 10 nm-a four-fold improvement over photon localization microscopy. Using spectroscopic photon localization microscopy, we further demonstrated simultaneous multi-colour super-resolution imaging of microtubules and mitochondria in COS-7 cells and showed that background autofluorescence can be identified through its distinct emission spectra.

  16. Super-resolution spectroscopic microscopy via photon localization

    NASA Astrophysics Data System (ADS)

    Dong, Biqin; Almassalha, Luay; Urban, Ben E.; Nguyen, The-Quyen; Khuon, Satya; Chew, Teng-Leong; Backman, Vadim; Sun, Cheng; Zhang, Hao F.

    2016-07-01

    Traditional photon localization microscopy analyses only the spatial distributions of photons emitted by individual molecules to reconstruct super-resolution optical images. Unfortunately, however, the highly valuable spectroscopic information from these photons have been overlooked. Here we report a spectroscopic photon localization microscopy that is capable of capturing the inherent spectroscopic signatures of photons from individual stochastic radiation events. Spectroscopic photon localization microscopy achieved higher spatial resolution than traditional photon localization microscopy through spectral discrimination to identify the photons emitted from individual molecules. As a result, we resolved two fluorescent molecules, which were 15 nm apart, with the corresponding spatial resolution of 10 nm--a four-fold improvement over photon localization microscopy. Using spectroscopic photon localization microscopy, we further demonstrated simultaneous multi-colour super-resolution imaging of microtubules and mitochondria in COS-7 cells and showed that background autofluorescence can be identified through its distinct emission spectra.

  17. Super-resolution spectroscopic microscopy via photon localization

    PubMed Central

    Dong, Biqin; Almassalha, Luay; Urban, Ben E.; Nguyen, The-Quyen; Khuon, Satya; Chew, Teng-Leong; Backman, Vadim; Sun, Cheng; Zhang, Hao F.

    2016-01-01

    Traditional photon localization microscopy analyses only the spatial distributions of photons emitted by individual molecules to reconstruct super-resolution optical images. Unfortunately, however, the highly valuable spectroscopic information from these photons have been overlooked. Here we report a spectroscopic photon localization microscopy that is capable of capturing the inherent spectroscopic signatures of photons from individual stochastic radiation events. Spectroscopic photon localization microscopy achieved higher spatial resolution than traditional photon localization microscopy through spectral discrimination to identify the photons emitted from individual molecules. As a result, we resolved two fluorescent molecules, which were 15 nm apart, with the corresponding spatial resolution of 10 nm—a four-fold improvement over photon localization microscopy. Using spectroscopic photon localization microscopy, we further demonstrated simultaneous multi-colour super-resolution imaging of microtubules and mitochondria in COS-7 cells and showed that background autofluorescence can be identified through its distinct emission spectra. PMID:27452975

  18. Melt Structure and Properties: a Spectroscopic Perspective

    NASA Astrophysics Data System (ADS)

    Stebbins, J.

    2006-12-01

    Entropy, volume, and their P/T derivatives are at the heart of models of the thermodynamics of silicate melts and magmas. Quantitative characterization of glass structure is leading to important new insights into the links from "Microscopic to Macroscopic" that can at least guide interpretations of data and in some cases even have predictive power. A few recent examples will be discussed here. The often-large configurational components to heat capacities, thermal expansivities, and compressibilities of melts strongly indicate that structural changes with temperature and pressure are of key importance. At least some aspects of thermal increases in configurational (as opposed to vibrational) disorder are amenable to spectroscopic detection, either with in situ methods or on glasses with varying quench rates and thus varying fictive temperatures. In some systems, such changes are now clear, and can be shown to make significant contributions to properties. These include network cation coordination in systems such as borate liquids (BO4 to BO3 at higher T), and Al-Si disordering in aluminosilicates. In general, however, progress in this rich problem has only begun. It has long been suspected from thermodynamic analyses (and theoretical simulations) that configurational changes in melts play a key role in volume compression at high pressure, over and above that which can be expressed in "normal" equations of state or from those expected from bond compression and bending. Scattering and spectroscopic studies have revealed some of the important aspects of pressure-induced structural changes, but again we are just at the beginning of full understanding. For example, binary silicate glasses quenched from high-P melts clearly record some systematic increases in Si coordination, while aluminosilicates record systematic pressure and compositional (modifier cation field strength) effects on Al coordination in recovered samples with large, quenched-in density increases

  19. Spectroscopic ellipsometry studies of HF treated Si (100) surfaces

    NASA Astrophysics Data System (ADS)

    Yao, Huade; Woollam, John A.; Alterovitz, Samuel A.

    1993-08-01

    Both ex situ and in situ spectroscopic ellipsometry (SE) measurements were employed to investigate the effects of HF cleaning on Si surfaces. The hydrogen-terminated (H-terminated) Si surface was modeled as an equivalent dielectric layer, and monitored in real time by SE measurements. The SE analyses indicate that after a 20-s 9:1 HF dip without rinse, the Si(100) surface was passivated by the hydrogen termination and remained chemically stable. Roughness of the HF-etched bare Si(100) surface was observed, in an ultrahigh vacuum (UHV) chamber, and analyzed by the in situ SE. Evidence for desorption of the H-terminated Si surface-layer, after being heated to approximately 550 C in the UHV chamber, is presented and discussed. This is the first use of an ex situ and in situ real-time, nondestructive technique capable of showing state of passivation, the rate of reoxidation, and the surface roughness of the H-terminated Si surfaces.

  20. Spectroscopic ellipsometry studies of HF treated Si (100) surfaces

    NASA Astrophysics Data System (ADS)

    Yao, Huade; Woollam, John A.; Alterovitz, Samuel A.

    1993-06-01

    Both ex situ and in situ spectroscopic ellipsometry (SE) measurements were employed to investigate the effect of HF cleaning on Si surfaces. The hydrogen-terminated (H-terminated) Si surface was modeled as an equivalent dielectric layer, and monitored in real time by SE measurements. The SE analyses indicate that, after a 20-sec 9:1 HF dip without rinse, the Si (100) surface was passivated by the hydrogen termination and remained chemically stable. Roughness of the HF-etched bare Si (100) surface was observed, in an ultrahigh vacuum chamber (UHV), and analyzed by the in situ SE. Evidence for desorption of the H-terminated Si surface layer, after being heated to about 550 C in the UHV chamber, is presented and discussed. This is the first use of an ex situ and in situ real-time, nondestructive technique capable of showing state of passivation, the rate of reoxidation, and the surface roughness of the H-terminated Si surfaces.

  1. Spectroscopic and photometric monitoring of southern post-AGB stars

    NASA Astrophysics Data System (ADS)

    Pooley, D. J.; Cottrell, P. L.; Pollard, K. R.; Albrow, M. D.

    2004-05-01

    We present the results of contemporaneous photometric and spectroscopic monitoring of 20 post-AGB stars from Mt John University Observatory. Photometric measures were carried our suing Johnson BV and Cousins RI filters, and the radial velocity measurements were acquired using spectra from an echelle spectrograph. Our program spanned five years and the stars covered a range of spectral types from B to K in order to investigate the behavior of post-AGB stars as they evolve away from the AGB. A number of stars proved to be variable inways incompatible with post-AGB models and are reclassified. Periodicities are presented for a number of stars. Photometrically, HD 70379 was found to be pulsating in two modes with periods of 85 and 97 d. The radial velocities also varied, with the peak amplitude occurring when the photometry was also changing most. AI CMi presented three different types of spectra associated with photometric brightness, with varying strengths of narrow emission lines and molecular bandheads. The Hα profiles in almost all of the stars show evidence of emission which varies on time scales of days to months. The Na D line profiles are generally complex showing between 4 and 7 components due to both circumstellar and interstellar material.

  2. Spectroscopic ellipsometry studies of HF treated Si (100) surfaces

    NASA Technical Reports Server (NTRS)

    Yao, Huade; Woollam, John A.; Alterovitz, Samuel A.

    1993-01-01

    Both ex situ and in situ spectroscopic ellipsometry (SE) measurements were employed to investigate the effects of HF cleaning on Si surfaces. The hydrogen-terminated (H-terminated) Si surface was modeled as an equivalent dielectric layer, and monitored in real time by SE measurements. The SE analyses indicate that after a 20-s 9:1 HF dip without rinse, the Si(100) surface was passivated by the hydrogen termination and remained chemically stable. Roughness of the HF-etched bare Si(100) surface was observed, in an ultrahigh vacuum (UHV) chamber, and analyzed by the in situ SE. Evidence for desorption of the H-terminated Si surface-layer, after being heated to approximately 550 C in the UHV chamber, is presented and discussed. This is the first use of an ex situ and in situ real-time, nondestructive technique capable of showing state of passivation, the rate of reoxidation, and the surface roughness of the H-terminated Si surfaces.

  3. Spectroscopic diagnostics of organic chemistry in the protostellar environment

    NASA Technical Reports Server (NTRS)

    Charnley, S. B.; Ehrenfreund, P.; Kuan, Y. J.

    2001-01-01

    A combination of astronomical observations, laboratory studies, and theoretical modelling is necessary to determine the organic chemistry of dense molecular clouds. We present spectroscopic evidence for the composition and evolution of organic molecules in protostellar environments. The principal reaction pathways to complex molecule formation by catalysis on dust grains and by reactions in the interstellar gas are described. Protostellar cores, where warming of dust has induced evaporation of icy grain mantles, are excellent sites in which to study the interaction between gas phase and grain-surface chemistries. We investigate the link between organics that are observed as direct products of grain surface reactions and those which are formed by secondary gas phase reactions of evaporated surface products. Theory predicts observable correlations between specific interstellar molecules, and also which new organics are viable for detection. We discuss recent infrared observations obtained with the Infrared Space Observatory, laboratory studies of organic molecules, theories of molecule formation, and summarise recent radioastronomical searches for various complex molecules such as ethers, azaheterocyclic compounds, and amino acids.

  4. Structural and Spectroscopic Insights into BolA-Glutaredoxin Complexes

    PubMed Central

    Roret, Thomas; Tsan, Pascale; Couturier, Jérémy; Zhang, Bo; Johnson, Michael K.; Rouhier, Nicolas; Didierjean, Claude

    2014-01-01

    BolA proteins are defined as stress-responsive transcriptional regulators, but they also participate in iron metabolism. Although they can form [2Fe-2S]-containing complexes with monothiol glutaredoxins (Grx), structural details are lacking. Three Arabidopsis thaliana BolA structures were solved. They differ primarily by the size of a loop referred to as the variable [H/C] loop, which contains an important cysteine (BolA_C group) or histidine (BolA_H group) residue. From three-dimensional modeling and spectroscopic analyses of A. thaliana GrxS14-BolA1 holo-heterodimer (BolA_H), we provide evidence for the coordination of a Rieske-type [2Fe-2S] cluster. For BolA_C members, the cysteine could replace the histidine as a ligand. NMR interaction experiments using apoproteins indicate that a completely different heterodimer was formed involving the nucleic acid binding site of BolA and the C-terminal tail of Grx. The possible biological importance of these complexes is discussed considering the physiological functions previously assigned to BolA and to Grx-BolA or Grx-Grx complexes. PMID:25012657

  5. Structural and spectroscopic insights into BolA-glutaredoxin complexes.

    PubMed

    Roret, Thomas; Tsan, Pascale; Couturier, Jérémy; Zhang, Bo; Johnson, Michael K; Rouhier, Nicolas; Didierjean, Claude

    2014-08-29

    BolA proteins are defined as stress-responsive transcriptional regulators, but they also participate in iron metabolism. Although they can form [2Fe-2S]-containing complexes with monothiol glutaredoxins (Grx), structural details are lacking. Three Arabidopsis thaliana BolA structures were solved. They differ primarily by the size of a loop referred to as the variable [H/C] loop, which contains an important cysteine (BolA_C group) or histidine (BolA_H group) residue. From three-dimensional modeling and spectroscopic analyses of A. thaliana GrxS14-BolA1 holo-heterodimer (BolA_H), we provide evidence for the coordination of a Rieske-type [2Fe-2S] cluster. For BolA_C members, the cysteine could replace the histidine as a ligand. NMR interaction experiments using apoproteins indicate that a completely different heterodimer was formed involving the nucleic acid binding site of BolA and the C-terminal tail of Grx. The possible biological importance of these complexes is discussed considering the physiological functions previously assigned to BolA and to Grx-BolA or Grx-Grx complexes. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  6. Imaging spectroscopic ellipsometry of MoS2

    NASA Astrophysics Data System (ADS)

    Funke, S.; Miller, B.; Parzinger, E.; Thiesen, P.; Holleitner, A. W.; Wurstbauer, U.

    2016-09-01

    Micromechanically exfoliated mono- and multilayers of molybdenum disulfide (MoS2) are investigated by spectroscopic imaging ellipsometry. In combination with knife edge illumination, MoS2 flakes can be detected and classified on arbitrary flat and also transparent substrates with a lateral resolution down to 1-2 µm. The complex dielectric functions from mono- and trilayer MoS2 are presented. They are extracted from a multilayer model to fit the measured ellipsometric angles employing an anisotropic and an isotropic fit approach. We find that the energies of the critical points of the optical constants can be treated to be independent of the utilized model, whereas the magnitude of the optical constants varies with the used model. The anisotropic model suggests a maximum absorbance for a MoS2 sheet supported by sapphire of about 14% for monolayer and of 10% for trilayer MoS2. Furthermore, the lateral homogeneity of the complex dielectric function for monolayer MoS2 is investigated with a spatial resolution of 2 µm. Only minor fluctuations are observed. No evidence for strain, for a significant amount of disorder or lattice defects can be found in the wrinkle-free regions of the MoS2 monolayer from complementary µ-Raman spectroscopy measurements. We assume that the minor lateral variation in the optical constants are caused by lateral modification in the van der Waals interaction presumably caused by the preparation using micromechanical exfoliation and viscoelastic stamping.

  7. Spectroscopic diagnostics of organic chemistry in the protostellar environment

    NASA Technical Reports Server (NTRS)

    Charnley, S. B.; Ehrenfreund, P.; Kuan, Y. J.

    2001-01-01

    A combination of astronomical observations, laboratory studies, and theoretical modelling is necessary to determine the organic chemistry of dense molecular clouds. We present spectroscopic evidence for the composition and evolution of organic molecules in protostellar environments. The principal reaction pathways to complex molecule formation by catalysis on dust grains and by reactions in the interstellar gas are described. Protostellar cores, where warming of dust has induced evaporation of icy grain mantles, are excellent sites in which to study the interaction between gas phase and grain-surface chemistries. We investigate the link between organics that are observed as direct products of grain surface reactions and those which are formed by secondary gas phase reactions of evaporated surface products. Theory predicts observable correlations between specific interstellar molecules, and also which new organics are viable for detection. We discuss recent infrared observations obtained with the Infrared Space Observatory, laboratory studies of organic molecules, theories of molecule formation, and summarise recent radioastronomical searches for various complex molecules such as ethers, azaheterocyclic compounds, and amino acids.

  8. Spectroscopic Search for Water Ice on Jovian Trojan Asteroids

    NASA Astrophysics Data System (ADS)

    Yang, Bin; Jewitt, David

    2007-07-01

    The Jovian Trojans likely formed beyond the snow line and so may contain considerable amounts of water ice. We seek near-infrared spectroscopic evidence for the 1.5 and 2.0 μm water ice bands in the Trojans. Our sample is focused on objects identified in previous measurements as being of special interest. The unusual Trojan (4709) Ennomos has a geometric albedo significantly above the mean Trojan albedo, perhaps because a recent impact has coated part of the surface with freshly excavated ice. Trojans (911) Agamemnon, (617) Patroclus, (1143) Odysseus, and (2797) Teucer were also observed. These objects have been independently reported to show possible weak absorptions at 1.7 and 2.3 μm, respectively. If real, the latter features may be due to organic materials present on the surfaces. However, all five targets appear spectrally featureless, even in our highest signal-to-noise ratio data. Simple models consisting of mixtures of water ice and a spectrally featureless material were used to quantify the limits to surface ice.

  9. Spectroscopic Search for Water Ice on Jovian Trojan Asteroids

    NASA Astrophysics Data System (ADS)

    Yang, Bin; Jewitt, D.

    2006-09-01

    We are conducting a systematic study of the Jovian Trojans using the Subaru 8-m, UKIRT 4-m and IRTF 3-m telescopes atop Mauna Kea, Hawaii. Theoretical models show that the Jovian Trojans formed beyond the snow-line and they may contain considerable amounts of water ice. We seek spectroscopic evidence for this pristine ice. Object (4709) Ennomos has a geometric albedo of 0.13+/-0.02, which is significantly above the mean Trojan albedo of 0.041+/- 0.002 (Fernandez et al., 2003). An intriguing possibility is that the albedo of Ennomos is high because a recent impact has coated part of the surface with freshly excavated ice. We obtained near-IR (0.8-2.5 micron) spectra of (4709) Ennomos in search of the 1.5 and 2.0 micron bands of water ice. Four other Trojans, (911) Agamemnon, (617) Patroclus, (1143) Odysseus and (2797) Teucer, were also observed. These objects have been reported to show possible weak absorptions at 1.7 and 2.3 micron respectively (Emery and Brown, 2003). All five targets appear spectrally featureless, even in our highest signal-to-noise ratio data. We present the data and a simple model consisting of mixtures of water ice and a spectrally featureless material, to quantify the limits to surface ice.

  10. THE FIRST SPECTROSCOPICALLY RESOLVED SUB-PARSEC ORBIT OF A SUPERMASSIVE BINARY BLACK HOLE

    SciTech Connect

    Bon, E.; Jovanovic, P.; Bon, N.; Popovic, L. C.; Marziani, P.; Shapovalova, A. I.; Borka Jovanovic, V.; Borka, D.; Sulentic, J.

    2012-11-10

    One of the most intriguing scenarios proposed to explain how active galactic nuclei are triggered involves the existence of a supermassive binary black hole (BH) system in their cores. Here, we present an observational evidence for the first spectroscopically resolved sub-parsec orbit of a such system in the core of Seyfert galaxy NGC 4151. Using a method similar to those typically used for spectroscopic binary stars, we obtained radial velocity curves of the supermassive binary system, from which we calculated orbital elements and made estimates about the masses of the components. Our analysis shows that periodic variations in the light and radial velocity curves can be accounted for by an eccentric, sub-parsec Keplerian orbit with a 15.9 year period. The flux maximum in the light curve corresponds to the approaching phase of the secondary component toward the observer. According to the obtained results, we speculate that the periodic variations in the observed H{alpha} line shape and flux are due to shock waves generated by the supersonic motion of the components through the surrounding medium. Given the large observational effort needed to reveal this spectroscopically resolved binary orbital motion, we suggest that many such systems may exist in similar objects even if they are hard to find. Detecting more of them will provide us with insight into the BH mass growth process.

  11. Spectroscopic imaging diagnostics for burning plasma experiments

    SciTech Connect

    Stutman, D.; Finkenthal, M.; Suliman, G.; Tritz, K.; Delgado-Aparicio, L.; Kaita, R.; Johnson, D.; Soukhanovskii, V.; May, M.J.

    2005-02-01

    Spectroscopic imaging of plasma emission profiles from a few electron volts to tens of kilo-electron volts enables basic diagnostics in present day tokamaks. For the more difficult burning plasma conditions, light extraction and detection techniques, as well as instrument designs need to be investigated. As an alternative to light extraction with reflective optics, we discuss normal incidence, transmissive-diffractive optics (e.g., transmission gratings), which might withstand plasma exposure with less degradation of optical properties. Metallic multilayer reflectors are also of interest for light extraction. Although a shift of the diffraction peak might occur, instrument designs that accommodate such shifts are possible. As imaging detectors we consider 'optical' arrays based on conversion of the short-wavelength light into visible light followed by transport of the visible signal with hollow lightguides. The proposed approaches to light extraction and detection could enable radiation resistant diagnostics.

  12. Planetary atmospheres: Microwave spectroscopic and space physics

    NASA Technical Reports Server (NTRS)

    Clancy, R. Todd

    1990-01-01

    Ground-based spectroscopic observations of isotopes of CO in the atmosphere of Mars, Venus, and Titan were collected over the 1982-1990 period. These observations were analyzed to obtain information on the photochemistry, dynamics, and thermal profiles of these planetary atmospheres. In the cases of the mesosphere (80-100 km altitude) of Venus and the lower atmosphere (0-70 km altitude) of Mars, the primary conclusion of this research is that significant interannual variation in the global, thermal, and compositional structures of these atmospheres occur over 10 year periods. The Titan studies have focussed on pinning down the true atmosphere CO abundance. A more detailed summary of the results for each of these planetary atmospheres is provided.

  13. SPECTROSCOPIC CONFIRMATION OF THE PISCES OVERDENSITY

    SciTech Connect

    Kollmeier, Juna A.; Shectman, Stephen; Thompson, Ian B.; Preston, George W.; Simon, Joshua D.; Crane, Jeffrey D.; Gould, Andrew; Ivezic, Zeljko; Sesar, Branimir

    2009-11-10

    We present spectroscopic confirmation of the 'Pisces Overdensity', also known as 'Structure J', a photometric overdensity of RR Lyrae stars discovered by the Sloan Digital Sky Survey at an estimated photometric distance of approx85 kpc. We measure radial velocities for eight RR Lyrae stars within Pisces. We find that five of the eight stars have heliocentric radial velocities within a narrow range of -87 km s{sup -1} < v{sub r} < -67 km s{sup -1}, suggesting that the photometric overdensity is mainly due to a physically associated system, probably a dwarf galaxy or a disrupted galaxy. Two of the remaining three stars differ from one another by only 9 km s{sup -1}, but it would be premature to identify them as a second system.

  14. Cosmic Ray Removal in Fiber Spectroscopic Image

    NASA Astrophysics Data System (ADS)

    Bai, Zhongrui; Zhang, Haotong; Yuan, Hailong; Carlin, Jeffrey L.; Li, Guangwei; Lei, Yajuan; Dong, Yiqiao; Yang, Huiqin; Zhao, Yongheng; Cao, Zihuang

    2017-02-01

    Single-exposure spectra in large spectral surveys are valuable for time domain studies such as stellar variability, but there is no available method to eliminate cosmic rays for single-exposure, multi-fiber spectral images. In this paper, we describe a new method to detect and remove cosmic rays in multi-fiber spectroscopic single exposures. Through the use of two-dimensional profile fitting and a noise model that considers the position-dependent errors, we successfully detect as many as 80% of the cosmic rays and correct the cosmic ray polluted pixels to an average accuracy of 97.8%. Multiple tests and comparisons with both simulated data and real LAMOST data show that the method works properly in detection rate, false detection rate, and validity of cosmic ray correction.

  15. Spectroscopic analysis of LYSO:Ce crystals

    NASA Astrophysics Data System (ADS)

    Martins, A. F.; Carreira, J. F. C.; Rodrigues, J.; Sedrine, N. Ben; Castro, I. F. C.; Correia, P. M. M.; Veloso, J. F. C. A.; Rino, L.; Monteiro, T.

    2017-02-01

    Rare earth orthosilicates are among the most widely used scintillator materials in the last decades. Particularly, lutetium-yttrium oxyorthosilicate (LYSO) is known to exhibit great potentialities in the field of radiation detectors for medical imaging. Consequently, an in-depth knowledge of the material properties is of utmost interest for the mentioned applications. In this work the spectroscopic properties of commercial cerium doped lutetium-yttrium oxyorthosilicate crystals (LYSO:Ce) were investigated by Raman spectroscopy, steady state photoluminescence, photoluminescence excitation and time resolved photoluminescence. Site selective excitation was used under steady state (325 nm) and pulsed (266 nm) conditions to separately investigate the temperature dependence of the 5d → 4f Ce1 and Ce2 luminescence, allowing to establish the thermal quenching dependence of the Ce2 optical center. In the case of the Ce1 optical center, a luminescence quantum efficiency of 78% was obtained from 14 K to room temperature with 266 nm photon excitation.

  16. Parallel detecting, spectroscopic ellipsometers/polarimeters

    DOEpatents

    Furtak, Thomas E.

    2002-01-01

    The parallel detecting spectroscopic ellipsometer/polarimeter sensor has no moving parts and operates in real-time for in-situ monitoring of the thin film surface properties of a sample within a processing chamber. It includes a multi-spectral source of radiation for producing a collimated beam of radiation directed towards the surface of the sample through a polarizer. The thus polarized collimated beam of radiation impacts and is reflected from the surface of the sample, thereby changing its polarization state due to the intrinsic material properties of the sample. The light reflected from the sample is separated into four separate polarized filtered beams, each having individual spectral intensities. Data about said four individual spectral intensities is collected within the processing chamber, and is transmitted into one or more spectrometers. The data of all four individual spectral intensities is then analyzed using transformation algorithms, in real-time.

  17. Nondestructive spectroscopic characterization of building materials

    NASA Astrophysics Data System (ADS)

    Kassu, Aschalew; Walker, Lauren; Sanders, Rachel; Farley, Carlton; Mills, Jonathan; Sharma, Anup

    2017-04-01

    The purpose of this research project is to demonstrate the application of Raman spectroscopy technique for characterization and identification of the distinct Raman signatures of construction materials. The results reported include the spectroscopic characterization of building materials using compact Raman system with 785 nm wavelength laser. The construction materials studied include polyblend sanded grout, fire barrier sealant, acrylic latex caulk plus and white silicone. It is found that, both fire barrier sealant and acrylic latex caulk plus has a prominent Raman band at 1082 cm-1, and three minor Raman signatures located at 275, 706 and 1436 cm-1. On the other hand, sand grout has three major Raman bands at 1265, 1368 and 1455 cm-1, and four minor peaks at 1573, 1683, 1762, and 1868 cm-1. White silicone, which is a widely used sealant material in construction industry, has two major Raman bands at 482 and 703 cm-1, and minor Raman characteristic bands at 783 and 1409 cm-1.

  18. Spectroscopic detection of nitrogen concentrations in sagebrush

    SciTech Connect

    J. J. MITCHELL; N. F. GLENN; T.T. SANKEY; D. R. DERRYBERRY; R. C. HRUSKA; M. O. Anderson

    2012-07-01

    The ability to estimate foliar nitrogen (N) in semi-arid landscapes can yield information on nutritional status and improve our limited understanding of controls on canopy photosynthesis. We examined two spectroscopic methods for estimating sagebrush dried leaf and live shrub N content: first derivative reflectance (FDR) and continuum removal. Both methods used partial least squares (PLS) regression to select wavebands most significantly correlated with N concentrations in the samples. Sagebrush dried leaf spectra produced PLS models (R2 = 0.76–0.86) that could predict N concentrations within the dataset more accurately than PLS models generated from live shrub spectra (R2 = 0.41–0.63). Inclusion of wavelengths associated with leaf water in the FDR transformations appeared to improve regression results. Findings are encouraging and warrant further exploration into sagebrush reflectance spectra to characterize N concentrations.

  19. Spectroscopic imaging diagnostics for burning plasma experiments

    NASA Astrophysics Data System (ADS)

    Stutman, D.; Finkenthal, M.; Suliman, G.; Tritz, K.; Delgado-Aparicio, L.; Kaita, R.; Johnson, D.; Soukhanovskii, V.; May, M. J.

    2005-02-01

    Spectroscopic imaging of plasma emission profiles from a few electron volts to tens of kilo-electron volts enables basic diagnostics in present day tokamaks. For the more difficult burning plasma conditions, light extraction and detection techniques, as well as instrument designs need to be investigated. As an alternative to light extraction with reflective optics, we discuss normal incidence, transmissive-diffractive optics (e.g., transmission gratings), which might withstand plasma exposure with less degradation of optical properties. Metallic multilayer reflectors are also of interest for light extraction. Although a shift of the diffraction peak might occur, instrument designs that accommodate such shifts are possible. As imaging detectors we consider "optical" arrays based on conversion of the short-wavelength light into visible light followed by transport of the visible signal with hollow lightguides. The proposed approaches to light extraction and detection could enable radiation resistant diagnostics.

  20. Neutron-spectroscopic strength in Ru isotopes

    SciTech Connect

    Duarte, J.L.M.; Borello-Lewin, T.; Horodynski-Matsushigue, L.B. )

    1994-08-01

    A systematic, high resolution (6--8 keV) study of ([ital d],[ital t]) reactions on [sup 100,102,104]Ru is reported. Spectroscopic factors were extracted by comparison of experimental angular distributions with distorted wave Born approximation predictions. All of the information for [sup 99]Ru and, for excitation energies above 0.9 MeV, for [sup 103]Ru is new. Most of the strength expected for the 50--82 neutron shell was found. The strength distributions are discussed, also in comparison with the corresponding stripping reactions. Special attention is focused on extremely low and relatively intense [ital l]=3 excitations and on the [ital l]=4 transfer pattern observed.

  1. A spectroscopic flare of YZ Canis Minoris

    NASA Technical Reports Server (NTRS)

    Mochnacki, S. W.; Schommer, R. A.

    1979-01-01

    Observations of a spectroscopic flare in YZ Canis Minoris are reported. Emission lines of Mg I, Fe I, and Fe II were found in the spectral region 5090-5350 A. The intensity of the emission lines declined only slightly over a span of 2 hours. No significant radial-velocity difference was found between the emission and absorption lines. The turbulent velocity dispersion was less than 20 km/s. Upper limits of 7500 and 15,000 gauss can be placed on the longitudinal and transverse magnetic fields. The equal intensities of the Mg I b lines imply that the emitting region was optically thick. The intensity ratios did not change with time.

  2. Spectroscopic diagnostics of high temperature plasmas

    SciTech Connect

    Moos, W.

    1990-01-01

    A three-year research program for the development of novel XUV spectroscopic diagnostics for magnetically confined fusion plasmas is proposed. The new diagnostic system will use layered synthetic microstructures (LSM) coated, flat and curved surfaces as dispersive elements in spectrometers and narrow band XUV filter arrays. In the framework of the proposed program we will develop impurity monitors for poloidal and toroidal resolved measurements on PBX-M and Alcator C-Mod, imaging XUV spectrometers for electron density and temperature fluctuation measurements in the hot plasma core in TEXT or other similar tokamaks and plasma imaging devices in soft x-ray light for impurity behavior studies during RF heating on Phaedrus T and carbon pellet ablation in Alcator C-Mod. Recent results related to use of multilayer in XUV plasma spectroscopy are presented. We also discuss the latest results reviewed to q{sub o} and local poloidal field measurements using Zeeman polarimetry.

  3. Vibrational spectroscopic and DFT study of trimethoprim

    NASA Astrophysics Data System (ADS)

    Ungurean, Alia; Leopold, Nicolae; David, Leontin; Chiş, Vasile

    2013-02-01

    Structural investigations by different vibrational spectroscopic methods: FTIR, FT-Raman and surface-enhanced Raman scattering (SERS) spectroscopy, as well as density functional theory (DFT) calculations were performed on trimethoprim (5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine). A reliable assignment of vibrational IR, Raman and SERS bands was possible by a proper choice of model used in quantum chemical calculations. Based on SERS spectrum analysis it is shown that the molecule is adsorbed on the silver surface through the pyrimidine ring, in a perpendicular orientation. Two theoretical models were used in order to simulate the silver surface and the interaction with trimethoprim molecule, the accuracy of the models being evaluated by comparing the predicted bands position of the two complexes with the SERS result.

  4. Raman spectroscopic biochemical mapping of tissues

    NASA Astrophysics Data System (ADS)

    Stone, Nicholas; Hart Prieto, Maria C.; Kendall, Catherine A.; Shetty, Geeta; Barr, Hugh

    2006-02-01

    Advances in technologies have brought us closer to routine spectroscopic diagnosis of early malignant disease. However, there is still a poor understanding of the carcinogenesis process. For example it is not known whether many cancers follow a logical sequence from dysplasia, to carcinoma in situ, to invasion. Biochemical tissue changes, triggered by genetic mutations, precede morphological and structural changes. These can be probed using Raman or FTIR microspectroscopy and the spectra analysed for biochemical constituents. Local microscopic distribution of various constituents can then be visualised. Raman mapping has been performed on a number of tissues including oesophagus, breast, bladder and prostate. The biochemical constituents have been calculated at each point using basis spectra and least squares analysis. The residual of the least squares fit indicates any unfit spectral components. The biochemical distribution will be compared with the defined histopathological boundaries. The distribution of nucleic acids, glycogen, actin, collagen I, III, IV, lipids and others appear to follow expected patterns.

  5. Multivariate Statistical Mapping of Spectroscopic Imaging Data

    PubMed Central

    Young, K.; Govind, V.; Sharma, K.; Studholme, C.; Maudsley, A.A; Schuff, N.

    2010-01-01

    For magnetic resonance spectroscopic imaging (MRSI) studies of the brain it is important to measure the distribution of metabolites in a regionally unbiased way - that is without restrictions to apriori defined regions of interest (ROI). Since MRSI provides measures of multiple metabolites simultaneously at each voxel, there is furthermore great interest in utilizing the multidimensional nature of MRSI for gains in statistical power. Voxelwise multivariate statistical mapping is expected to address both of these issues but it has not been previously employed for SI studies of brain. The aims of this study were to: 1) develop and validate multivariate voxel based statistical mapping for MRSI and 2) demonstrate that multivariate tests can be more powerful than univariate tests in identifying patterns of altered brain metabolism. Specifically, we compared multivariate to univariate tests in identifying known regional patterns in simulated data and regional patterns of metabolite alterations due to amyotrophic lateral sclerosis, a devastating brain disease of the motor neurons. PMID:19953514

  6. The AP spectroscopic binary HD 59435 revisited

    NASA Astrophysics Data System (ADS)

    Wade, G. A.; Mathys, G.; North, P.

    1999-07-01

    HD 59435 is a double-lined spectroscopic binary, one component of which is a magnetic Ap star and the other a G8 or K0 giant (Wade et al. 1996). Both components are very slowly rotating, and the Ap star exhibits spectral lines resolved into their magneti cally-split components. Herein we report additional measurements of the mean magnetic field modulus of the Ap star, measurements of the radial velocities of both components, and Geneva photometry of the system, and discuss their impact upon conclusions drawn previously. Based on observations collected at the European Southern Observatory (La Silla, Chile; ESO Programme Nos. 56.E-0688, 58.E-0159, 60.E-0565). Table 3 is available only in electronic form at the CDS via anonymous ftp 130.79.128.5

  7. Scanning Tunneling Spectroscope Use in Electrocatalysis Testing

    PubMed Central

    Knutsen, Turid

    2010-01-01

    The relationship between the electrocatalytic properties of an electrode and its ability to transfer electrons between the electrode and a metallic tip in a scanning tunneling microscope (STM) is investigated. The alkaline oxygen evolution reaction (OER) was used as a test reaction with four different metallic glasses, Ni78Si8B14, Ni70Mo20Si5B5, Ni58Co20Si10B12, and Ni25Co50Si15B10, as electrodes. The electrocatalytic properties of the electrodes were determined. The electrode surfaces were then investigated with an STM. A clear relationship between the catalytic activity of an electrode toward the OER and its tunneling characteristics was found. The use of a scanning tunneling spectroscope (STS) in electrocatalytic testing may increase the efficiency of the optimization of electrochemical processes.

  8. 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.

  9. Synthetic Ultraviolet Spectroscopic Indices in Stars

    NASA Astrophysics Data System (ADS)

    Chávez, M.; Rodríguez-Merino, L. H.; Bertone, E.; Buzzoni, A.; Bressan, A.

    2007-12-01

    We present a progress report on the calculation of ultraviolet spectroscopic indices by using the UVBLUE library of synthetic spectra. The ensemble of indices are aimed at complementing empirical databases for the study of stellar populations. The definitions for the set of indices are mainly those empirically built upon data collected with the International Ultraviolet Explorer (IUE). Because the far-ultraviolet (far-UV) and mid-ultraviolet (mid-UV) are sensitive to quite dissimilar stellar populations, they are presented separately. We provide a few examples on the effects of the leading atmospheric parameters on index values. This analysis is, to our knowledge, the first based upon high resolution synthetic spectra and we envisage important applications on the study of stellar aggregates at UV wavelengths.

  10. Spectroscopic and solubility characteristics of oxidized soots

    SciTech Connect

    Chughtai, A.R.; Jassim, J.A.; Peterson, J.H.; Stedman, D.H.; Smith, D.M. )

    1991-01-01

    Spectroscopic and solubility studies of reaction products of soot (black carbon) with O{sub 3}, NO{sub 2}/N{sub 2}O{sub 4}, and SO{sub 2} have revealed a relationship between reactivity and product solubility and structure. A remarkably high solubility of ozonated n-hexane soot has its origin in the formation of anhydride and lactone surface structures and their subsequent hydrolysis to carboxylic acid species. Calculations indicate that the rate of surface carboxylation of 0.1-{mu}m diameter spheroidal soot particles, in the presence of 50 ppbv ozone at ambient temperature, is such that solubilization may occur within a 30-minute time frame. Measurements on ambient air aerosol samples in metropolitan Denver are consistent with these observations and demonstrate the high reactivity of soot with ozone even at very low levels in natural systems.

  11. Qualitative spectroscopic study of magnetic nozzle flow

    NASA Technical Reports Server (NTRS)

    Umeki, T.; Turchi, P. J.

    1992-01-01

    The physics of the magnetic nozzle flow for a 100-kW-level quasi-steady MPD thruster was studied by photographic spectroscopy focusing on the plasma model in the flow and the acceleration mechanism. Spectroscopic visualization for the flow-species analysis indicates that the plasma-exhaust flow dominated by NII species were confined by the magnetic nozzle effect to collimate the flow for the better thruster performance. Inside the nozzle, the plasma flow was found to be in nonhomogeneous collisional-radiative condition. There appears to be a substantial flow acceleration from the magnetic nozzle inlet to the outlet with slight expansion. This suggests that the flow resembles that of constant area supersonic duct flow with cooling.

  12. Asiago spectroscopic classification of ASASSN-16bp

    NASA Astrophysics Data System (ADS)

    Tomasella, L.; Pastorello, A.; Benetti, S.; Cappellaro, E.; Elias-Rosa, N.; Ochner, P.; Tartaglia, L.; Terreran, G.; Turatto, M.

    2016-02-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of ASASSN-16bp ( = AT 2016adq), discovered by All Sky Automated Survey for SuperNovae ASAS-SN (see Shappee et al. 2014, ApJ, 788, 48 and http://www.astronomy.ohio-state.edu/~assassin/index.shtml ), in CGCG 336-041 (Atel #8666) The observation was performed with the Asiago 1.82 m Copernico Telescope (+AFOSC; range 340-820 nm; resolution 1.4 nm). Name | Discovery UT | Obs. Date UT |z | Type | Phase |Notes ASASSN-16bp | 20160209.61 | 20160211.11 |0.034194 | Ia | ~10d | (1) (1) Also known as SN2016adq in CGCG 336-041 (z=0.034194, d=145 Mpc, via NED).

  13. Selective spectroscopic methods for water analysis

    SciTech Connect

    Vaidya, Bikas

    1997-06-24

    This dissertation explores in large part the development of a few types of spectroscopic methods in the analysis of water. Methods for the determination of some of the most important properties of water like pH, metal ion content, and chemical oxygen demand are investigated in detail. This report contains a general introduction to the subject and the conclusions. Four chapters and an appendix have been processed separately. They are: chromogenic and fluorogenic crown ether compounds for the selective extraction and determination of Hg(II); selective determination of cadmium in water using a chromogenic crown ether in a mixed micellar solution; reduction of chloride interference in chemical oxygen demand determination without using mercury salts; structural orientation patterns for a series of anthraquinone sulfonates adsorbed at an aminophenol thiolate monolayer chemisorbed at gold; and the role of chemically modified surfaces in the construction of miniaturized analytical instrumentation.

  14. Spectroscopic characterization of isomerization transition states

    NASA Astrophysics Data System (ADS)

    Baraban, Joshua H.; Changala, P. Bryan; Mellau, Georg Ch.; Stanton, John F.; Merer, Anthony J.; Field, Robert W.

    2015-12-01

    Transition state theory is central to our understanding of chemical reaction dynamics. We demonstrate a method for extracting transition state energies and properties from a characteristic pattern found in frequency-domain spectra of isomerizing systems. This pattern—a dip in the spacings of certain barrier-proximal vibrational levels—can be understood using the concept of effective frequency, ωeff. The method is applied to the cis-trans conformational change in the S1 state of C2H2 and the bond-breaking HCN-HNC isomerization. In both cases, the barrier heights derived from spectroscopic data agree extremely well with previous ab initio calculations. We also show that it is possible to distinguish between vibrational modes that are actively involved in the isomerization process and those that are passive bystanders.

  15. The Maunakea Spectroscopic Explorer: throughput optimization

    NASA Astrophysics Data System (ADS)

    Flagey, Nicolas; Mignot, Shan; Szeto, Kei; McConnachie, Alan; Murowinski, Rick

    2016-08-01

    The Maunakea Spectroscopic Explorer (MSE) will obtain millions of optical to near-infrared spectra, at low (R 2,500) to high (R 40,000) spectral resolution, via a highly multiplexed ( 3000) fiber-fed system. Key science programs for MSE (black hole reverberation mapping, stellar population analysis at high redshift, subkm/ s velocity accuracy for stellar astrophysics) will target faint Galactic and extra-galactic targets (typical visual magnitudes up to 24). MSE will thus need to achieve the highest throughput possible over the 360 to 1800 nm wavelength range. Here we discuss building an optimized throughput budget in terms of performance allocation and technical solutions to steer the concept design studies.

  16. 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.

  17. Spectroscopic properties of Callinectes sapidus hemocyanin subunits

    NASA Astrophysics Data System (ADS)

    Stoeva, Stanka; Dolashka, Pavlina; Bankov, Banko; Voelter, Wolfgang; Salvato, Benedeto; Genov, Nicolay

    1995-10-01

    The two major subunits of the Callinectes sapidus hemocyanin were isolated and characterized by spectroscopic techniques. They consist of 641 and 652 residues, respectively. Circular dichroism spectra showed that the structural integrity of the isolated polypeptide chains is preserved. Tryptophan fluorescence parameters were determined for the hemocyanin aggregates and for the subunits Cs1 and Cs2. The emitting tryptophyl fluorophores in the native hemocyanin are deeply buried in hydrophobic regions and are shielded from the solvent by the quaternary structure of the protein aggregates. In two subunits, obtained after dissociation of the aggregates, these residues become "exposed". It is concluded that the tryptophyl side chains in Cs1 and Cs2 are located in subunit interfaces (contact regions) in a negatively charged environment when the polypeptide chains are aggregated. Most probably they participate in hydrophobic protein-protein interactions. The environment of these fluorophores is more negatively charged after the dissociation of the aggregates to subunits.

  18. Spectroscopic characterization of genetically modified flax fibers

    NASA Astrophysics Data System (ADS)

    Dymińska, L.; Gągor, A.; Hanuza, J.; Kulma, A.; Preisner, M.; Żuk, M.; Szatkowski, M.; Szopa, J.

    2014-09-01

    The principal goal of this paper is an analysis of flax fiber composition. Natural and genetically modified flax fibers derived from transgenic flax have been analyzed. Development of genetic engineering enables to improve the quality of fibers. Three transgenic plant lines with different modifications were generated based on fibrous flax plants as the origin. These are plants with: silenced cinnamyl alcohol dehydrogenase (CAD) gene; overexpression of polygalacturonase (PGI); and expression of three genes construct containing β-ketothiolase (phb A), acetoacetyl-CoA reductase (phb B), and poly-3-hydroxybutyric acid synthase (phb C). Flax fibers have been studied by FT-IR spectroscopy. The integral intensities of the IR bands have been used for estimation of the chemical content of the normal and transgenic flaxes. The spectroscopic data were compared to those obtained from chemical analysis of flax fibers. X-ray studies have been used to characterize the changes of the crystalline structure of the flax cellulose fibers.

  19. Spectroscopic Diagnostics of FUors and EXors

    NASA Astrophysics Data System (ADS)

    Liskowsky, Joseph P.; Brittain, S.; Rettig, T.; Simon, T.; Gibb, E.

    2010-01-01

    We present new Keck II NIRSPEC high-spectral resolution 1-5micron spectra of FUor, FUor-like and EXor objects. FUors are young eruptive variables with active accretion disks. The outbursts are thought to be caused by a increase in the stellar accretion rate from 1E-6 Msun/yr to 1E-4Msun/yr and last of order 102 yrs. FUor-like objects share many of the spectroscopic characteristics of FUors, though their outbursts have not been observed. EXors undergo shorter lived outbursts that are much less intense. We present the cross correlation of the NIR spectra of these objects as well as a detailed analysis of ro-vibrational CO fundamental and overtone lines, ro-vibrational H2O, ro-vibrational H2 and Br-gamma lines.

  20. The HITRAN2016 Molecular Spectroscopic Database

    DOE PAGES

    Gordon, I. E.; Rothman, L. S.; Hill, C.; ...

    2017-07-05

    This article describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additionalmore » absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. Finally, a powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.« less

  1. Spectroscopic Chemical Analysis Methods and Apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F.; Reid, Ray D.

    2012-01-01

    This invention relates to non-contact spectroscopic methods and apparatus for performing chemical analysis and the ideal wavelengths and sources needed for this analysis. It employs deep ultraviolet (200- to 300-nm spectral range) electron-beam-pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor lightemitting devices, and hollow cathode metal ion lasers. Three achieved goals for this innovation are to reduce the size (under 20 L), reduce the weight [under 100 lb (.45 kg)], and reduce the power consumption (under 100 W). This method can be used in microscope or macroscope to provide measurement of Raman and/or native fluorescence emission spectra either by point-by-point measurement, or by global imaging of emissions within specific ultraviolet spectral bands. In other embodiments, the method can be used in analytical instruments such as capillary electrophoresis, capillary electro-chromatography, high-performance liquid chromatography, flow cytometry, and related instruments for detection and identification of unknown analytes using a combination of native fluorescence and/or Raman spectroscopic methods. This design provides an electron-beampumped semiconductor radiation-producing method, or source, that can emit at a wavelength (or wavelengths) below 300 nm, e.g. in the deep ultraviolet between about 200 and 300 nm, and more preferably less than 260 nm. In some variations, the method is to produce incoherent radiation, while in other implementations it produces laser radiation. In some variations, this object is achieved by using an AlGaN emission medium, while in other implementations a diamond emission medium may be used. This instrument irradiates a sample with deep UV radiation, and then uses an improved filter for separating wavelengths to be detected. This provides a multi-stage analysis of the sample. To avoid the difficulties related to producing deep UV semiconductor sources, a pumping approach has been developed that uses

  2. Highlights of the Brazilian Solar Spectroscope

    NASA Astrophysics Data System (ADS)

    Sawant, H. S.; Cecatto, J. R.; Mészárosová, H.; Faria, C.; Fernandes, F. C. R.; Karlický, M.; de Andrade, M. C.

    2009-07-01

    The digital, decimetric (950-2500 MHz) Brazilian Solar Spectroscope (BSS, Sawant, H.S., Subramanian, K.R., Faria, C., et al. Brazilian Solar Spectroscope (BSS). Solar Phys. 200, 167-176, 2001) with high time (10-1000 ms) and frequency (1-10 MHz) resolution is in regular operation since April, 1998, at the National Space Research Institute (INPE) at São José dos Campos, Brazil. The BSS has now been upgraded with a new digital data acquisition and data processing system. The new version of the BSS has improved the observational possibilities with the capability to record up to 200 frequency channels available in the selectable frequency range 950-2500 MHz. The GPS receiver permits the acquisition of data with time accuracy in the order of 0.1 ms. The software system of the BSS is composed by two distinct modules: the first, data acquisition system provides a flexible Graphical User Interface (GUI) that allows one to choose the observational parameters. The second module is the real time visualization system that permits real time visualization of the observed dynamic spectrum and additionally allows procedures for visualization and preliminary analysis of the recorded solar spectra. Using the new visualization system, we have realized two new types of dm-radio fine structures: narrow band type III bursts with positive as well as negative group frequency drift and dots emissions arranged in zebra-like and fiber-like chains. Furthermore, we have found flare generated fast wave trains according to their tadpole signature in wavelet power spectra for a decimetric type IV radio event (June 6, 2000 flare).

  3. Are your Spectroscopic Data being used?

    NASA Astrophysics Data System (ADS)

    Gordon, Iouli E.; Rothman, Laurence S.; Wilzewski, Jonas S.

    2014-06-01

    Spectroscopy is an established and indispensable tool in science, industry, agriculture, medicine, surveillance, etc.. The potential user of spectral data which is not available in HITRAN1 or other databases, searches the spectroscopy publications. After finding the desired publication, the user very often encounters the following problems: 1) They cannot find the data described in the paper. There can be many reasons for this: nothing is provided in the paper itself or supplementary material; the authors are not responding to any requests; the web links provided in the paper have long been broken, etc.. 2) The data is presented in a reduced form, for instance through the fitted spectroscopic constants. While this is a long-standing practice among spectroscopists, there are numerous serious problems with this practice, such as users getting different energy and intensity values because of different representations of the solution to the Hamiltonian, or even just despairing of trying to generate usable line lists from the published constants. Properly providing the data benefits not only users but also the authors of the spectroscopic research. We will show that this increases citations to the spectroscopy papers and visibility of the research groups. We will also address the quite common issue when researchers obtain the data, but do not feel that they have time, interest or resources to write an article describing it. There are modern tools that allow one to make these data available to potential users and still get credit for it. However, this is a worst case scenario recommendation, i.e., publishing the data in a peer-reviewed journal is still the preferred way.

  4. Spectroscopic detection of chemotherapeutics and antioxidants

    NASA Astrophysics Data System (ADS)

    Latka, Ines; Grüner, Roman; Matthäus, Christian; Dietzek, Benjamin; Werncke, W.; Lademann, Jürgen; Popp, Jürgen

    2012-06-01

    The hand-foot-syndrome presents a severe dermal side-effect of chemotherapeutic cancer treatment. The cause of this side-effect is the elimination of systemically administered chemotherapeutics with the sweat. Transported to the skin surface, the drugs subsequently penetrate into the skin in the manner of topically applied substances. Upon accumulation of the chemotherapeutics in the skin the drugs destroy cells and tissue - in the same way as they are supposed to act in cancer cells. Aiming at the development of strategies to illuminate the molecular mechanism underlying the handfoot- syndrome (and, in a second step, strategies to prevent this severe side-effect), it might be important to evaluate the concentration and distribution of chemotherapeutics and antioxidants in the human skin. The latter can be estimated by the carotenoid concentration, as carotenoids serve as marker substances for the dermal antioxidative status.Following the objectives outlined above, this contribution presents a spectroscopic study aiming at the detection and quantification of carotenoids and selected chemotherapeutics in human skin. To this end, spontaneous Raman scattering and coherent anti-Stokes Raman scattering (CARS) microspectroscopy are combined with two-photon excited fluorescence. While the latter technique is Please verify that (1) all pages are present, (2) all figures are correct, (3) all fonts and special characters are correct, and (4) all text and figures fit within the red margin lines shown on this review document. Complete formatting information is available at http://SPIE.org/manuscripts Return to your MySPIE To Do List at http://myspie.org and approve or disapprove this submission. Your manuscript will not be published without this approval.restricted to the detection of fluorescent chemotherapeutics, e.g., doxorubicin, the vibrational spectroscopic techniques can - in principle - be applied to any type of analyte molecules. Furthermore, we will present the

  5. Spectroscopic neutron detection using composite scintillators

    NASA Astrophysics Data System (ADS)

    Jovanovic, I.; Foster, A.; Kukharev, V.; Mayer, M.; Meddeb, A.; Nattress, J.; Ounaies, Z.; Trivelpiece, C.

    2016-09-01

    Shielded special nuclear material (SNM), especially highly enriched uranium, is exceptionally difficult to detect without the use of active interrogation (AI). We are investigating the potential use of low-dose active interrogation to realize simultaneous high-contrast imaging and photofission of SNM using energetic gamma-rays produced by low-energy nuclear reactions, such as 11B(d,nγ)12C and 12C(p,p‧)12C. Neutrons produced via fission are one reliable signature of the presence of SNM and are usually identified by their unique timing characteristics, such as the delayed neutron die-away. Fast neutron spectroscopy may provide additional useful discriminating characteristics for SNM detection. Spectroscopic measurements can be conducted by recoil-based or thermalization and capture-gated detectors; the latter may offer unique advantages since they facilitate low-statistics and event-by-event neutron energy measurements without spectrum unfolding. We describe the results of the development and characterization of a new type of capture-gated spectroscopic neutron detector based on a composite of scintillating polyvinyltoluene and lithium-doped scintillating glass in the form of millimeter-thick rods. The detector achieves >108 neutron-gamma discrimination resulting from its geometric properties and material selection. The design facilitates simultaneous pulse shape and pulse height discrimination, despite the fact that no materials intrinsically capable of pulse shape discrimination have been used to construct the detector. Accurate single-event measurements of neutron energy may be possible even when the energy is relatively low, such as with delayed fission neutrons. Simulation and preliminary measurements using the new composite detector are described, including those conducted using radioisotope sources and the low-dose active interrogation system based on low-energy nuclear reactions.

  6. Spectroscopic data for thermal infrared remote sensing

    NASA Technical Reports Server (NTRS)

    Varanasi, P.; Nemtchinov, V.; Li, Z.

    1995-01-01

    There has been extensive world-wide use of chloro-fluoro-carbons (CFC's), especially CFC-11 (CFCl3) and CFC-12 (CF2Cl2), hydro-chloro-fluoro-carbons (HCFC's), HCFC-22 (CHFCl2) in particular, and sulphur hexaflouride (SF6) in numerous many industrial applications. These chemicals possess either a strong ozone-depletion potential or a global-warming potential, or both, and pose a threat to the inhabitability of our planet. Recognition of this fact has led to significant curtailment, if not total banishment, of their use globally. However, as recent satellite observations have shown, decline in their atmospheric concentrations may not be immediate. The marked depletion of ozone which has been observed in recent years at high latitudes has made infrared remote sensing of the atmosphere an activity of high priority. The success of any infrared remote sensing experiment conducted in the atmosphere depends upon the availability of accurate, high-resolution, spectroscopic data that are applicable to that experiment. This paper presents a preliminary phase of a multi-faceted work using a Fourier-transform spectrometer (FTS) which is in progress in our laboratory. The concept of how laboratory-borne measurements can be geared toward obtaining a database that is directly applicable to satellite-borne remote sensing missions is the main thrust of this paper which addresses itself to ongoing or planned international space missions. Spectroscopic data on the unresolvable bands of the above mentioned as well as several other man-made gases and on the individual spectral lines of such naturally present trace gases as CO2, N2O, NH3, and CH4 are presented. There is often significant overlap between the isolated lines of better known bands of the more abundant species and the weaker absorption features identifiable as bands of the currently less abundant CFC's, HCFC's, and SF6.

  7. 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.

  8. Infrared Imaging, Spectroscopic, and Photometric Studies of Comets

    NASA Technical Reports Server (NTRS)

    Gehrz, Robert D.

    1997-01-01

    We have continued our program of infrared (IR) photometric, imaging, spectroscopic, and polarimetric temporal observations of comets to study the properties of comet dust and comet nuclei. During the first two years we digitized our IR data base on P/Halley and other recent comets to facilitate further analysis and comparison with other data bases, and found compelling evidence for the emission of a burst of small grains from P/Halley's nucleus at perihelion. We reported imaging and photometric observations of Comets Austin 1990 V and Swift-Tuttle 1992. The Swift-Tuttle 1992t observations included IR photometry, several 7-14 micron long-slit spectra of the coma and a time-sequence of more than 150 10 micron broadband images of the coma. An analysis of near-IR images of the inner coma of P/Halley obtained on three consecutive nights in 1986 March showed sunwardjets. We completed our analysis of IR imaging spectrosco-photometric data on comets. We also obtained observations of Comets Hyakutake 1996 B2 and Hale/Bopp 1995 01. We obtained infrared imaging, photometric, spectroscopic and polarimetric temporal observations of bright comets using a network of five telescopes, with emphasis on simultaneous observations of comets at many wavelengths with different instruments. Our program offers several unique advantages: 1) rapid observational response to new comets with dedicated infrared telescopes; 2) observations within a few degrees of the sun when comets are near perihelion and 3) access to advanced infrared array imagers and spectrometers. In particular, reduction, analysis, publication and archiving of our Jupiter/sl-9 and Comet Hyakutake infrared data received special emphasis. Instrumentation development included installation of the latest version of the innovative FORTH telescope control and a data acquisition system that enables us to control three telescopes remotely by telephone from anywhere in the world for comet observations in broad daylight. We have

  9. Spectroscopic Methods for Label-Free Optical Nanoscopy

    NASA Astrophysics Data System (ADS)

    Chandler, John E.

    It is becoming increasingly evident that the nanoscale organization and structure of macromolecules play a significant role in determining the function and properties of biological systems. To understand the relationships between biological structure and function at nanometer length scales, there is a need for methods which enable imaging of intact nanoscale biological structure. An ideal technique for these applications is sensitive to nanoscale structure below the resolution limit of conventional optical microscopy ( 200 nm), achieves label-free contrast, is non-perturbing to biological samples, is quantitative, is capable of molecular specificity, is high-throughput, and finally is simple, enabling widespread utilization. Existing techniques meet some of these criteria, but all have limitations. For example, super-resolution optical microscopy methods achieve molecular-specific nanoscale resolution well below the resolution limit of conventional optical microscopes, however, they rely on fluorescent labels often at high densities that can be toxic and can often require potentially damaging illumination intensities for imaging. As a result, there remains a need for label-free optical techniques to study the nanoscale structural properties of cells. To address this need, the development of instrumentation and algorithms for Partial Wave Spectroscopic (PWS) microscopy will be described. PWS is a spectroscopic, label-free, nanoscale sensitive microscope which, senses rather than resolves structure below the resolution limit of conventional microscopes ( 200nm). First, PWS has shown utility as a diagnostic screening tool for cancer due to nanoscale structural alterations that occur in cells as part of the earliest stages of carcinogenesis. Instrumentation and algorithms developed to enable high-throughput cancer screening applications will be described. Further enhancement of data acquisition and analysis speed will then be described through the development of new

  10. Spectroscopic Infrared Extinction Mapping as a Probe of Grain Growth in IRDCs

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

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

    SciTech Connect

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

    2015-11-20

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

  12. Structural and spectroscopic changes to natural nontronite induced by experimental impacts between 10 and 40 GPa

    NASA Astrophysics Data System (ADS)

    Friedlander, Lonia R.; Glotch, Timothy D.; Bish, David L.; Dyar, M. Darby; Sharp, Thomas G.; Sklute, Elizabeth C.; Michalski, Joseph R.

    2015-05-01

    Many phyllosilicate deposits remotely detected on Mars occur within bombarded terrains. Shock metamorphism from meteor impacts alters mineral structures, producing changed mineral spectra. Thus, impacts have likely affected the spectra of remotely sensed Martian phyllosilicates. We present spectral analysis results for a natural nontronite sample before and after laboratory-generated impacts over five peak pressures between 10 and 40 GPa. We conducted a suite of spectroscopic analyses to characterize the sample's impact-induced structural and spectral changes. Nontronite becomes increasingly disordered with increasing peak impact pressure. Every infrared spectroscopic technique used showed evidence of structural changes at shock pressures above ~25 GPa. Reflectance spectroscopy in the visible near-infrared region is primarily sensitive to the vibrations of metal-OH and interlayer H2O groups in the nontronite octahedral sheet. Midinfrared (MIR) spectroscopic techniques are sensitive to the vibrations of silicon and oxygen in the nontronite tetrahedral sheet. Because the tetrahedral and octahedral sheets of nontronite deform differently, impact-driven structural deformation may contribute to differences in phyllosilicate detection between remote sensing techniques sensitive to different parts of the nontronite structure. Observed spectroscopic changes also indicated that the sample's octahedral and tetrahedral sheets were structurally deformed but not completely dehydroxylated. This finding is an important distinction from previous studies of thermally altered phyllosilicates in which dehydroxylation follows dehydration in a stepwise progression preceding structural deformation. Impact alteration may thus complicate mineral-specific identifications based on the location of OH-group bands in remotely detected spectra. This is a key implication for Martian remote sensing arising from our results.

  13. Fourier transform Raman spectroscopic studies of encrustations formed at the lichen-substratum interface

    NASA Astrophysics Data System (ADS)

    Edwards, Howell G.; Farwell, Dennis W.; Lewis, Ian R.; Seaward, Mark R.

    1994-01-01

    FT-Raman microscope spectra of lichen-substratum samples of Xanthoria parietina and Ochrolechia parella growing in situ on sandstone have been obtained. The presence of small amounts of calcium oxalate and evidence for biodeterioration by lichen metabolic by-products is confirmed spectroscopically. Comparisons are made with similar studies of aggressive colonization by the high oxalate-producing lichen Dirina massiliensis forma sorediata on Renaissance frescoes. Spatial discrimination of the Raman microprobe technique for high and low oxalate-producing lichens is demonstrated.

  14. Spectroscopic study of sub-barrier quasi-elastic nuclear reactions

    SciTech Connect

    Pass, C.N.; Evans, P.M.; Smith, A.E.; Stuttge, L.; Betts, R.R.; Lilley, J.S.; Connell, K.A.; Simpson, J.; Smith, J.R.; James, A.N.

    1988-01-01

    The technique developed in this paper is particularly well suited to the detailed spectroscopic study of low energy quasi-elastic nuclear reactions and by overcoming the limitations of conventional procedure, the prospect of detailed studies of inclusive reaction mechanism may be realised. With only limited statistics we find evidence for strong multistep character in the transfer of a single nucleon from spherical vibrational target to spherical projectile nuclei. The suggestive measurements reported here may be made definitive through extended runs based on this technique and experiments planned for the future offer the real prospect of developing a quantified interpretation of the reaction process. 9 refs. 5 figs.

  15. A spectroscopic analysis of three cataclysmic variable stars

    NASA Astrophysics Data System (ADS)

    Unda-Sanzana, E.

    2005-02-01

    Cataclysmic variable stars (CVs) are binary systems in which matter is transferred from a low mass star to a white dwarf via an accretion disc. My thesis is a spectroscopic study of three of these objects: U Gem, GD 552 and GY Cnc. I present high-resolution optical spectra of U Gem taken during quiescence. For U Gem, the radial velocity semi-amplitude of the white dwarf, K1, is accurately known thanks to a direct observation by Long et al. (1999). I find that even with these data the optical measurements are seriously distorted compared to the known value, which is not recovered to better than 20%. Doppler tomograms show emission at low velocity, close to the centre of mass, and a transient and sharp absorption feature is seen in the Balmer lines close to eclipse. I suggest that stellar prominences may explain part of these features. I study two features detected in HeII 4686.75 angstroms. They seem to be produced in the bright spot. The narrower feature has a velocity close to that of the accretion disc in the impact region. I present evidence of weak spiral structure, which may support explanations for ``spiral shocks'' based upon 3-body effects. I apply a method of isophote fitting to search for evidence of stream-disc overflow, but fail to uncover any. I detect evidence of irradiation of the mass donor with shielding by the disc: I estimate an H/R ratio between 0.15 and 0.20. For GD 552 I present spectroscopy taken with the aim of detecting emission from the mass donor. I fail to do so at a level which allows me to rule out the presence of a near-main-sequence star donor. Given GD 552's orbital period of 103 minutes, this suggests instead that it may be a system that has evolved through the 80 minute orbital period minimum of CVs and now has a brown dwarf mass donor. Finally, I give a first look at high-resolution data for GY Cnc, whose dynamical parameters make it a near-perfect twin of U Gem. I find several surprising features: the bright spot is completely

  16. Breakup effects on alpha spectroscopic factors of 16O

    NASA Astrophysics Data System (ADS)

    Adhikari, S.; Basu, C.; Sugathan, P.; Jhinghan, A.; Behera, B. R.; Saneesh, N.; Kaur, G.; Thakur, M.; Mahajan, R.; Dubey, R.; Mitra, A. K.

    2017-01-01

    The triton angular distribution for the 12C(7Li,t)16O* reaction is measured at 20 MeV, populating discrete states of 16O. Continuum discretized coupled reaction channel calculations are used to to extract the alpha spectroscopic properties of 16O states instead of the distorted wave born approximation theory to include the effects of breakup on the transfer process. The alpha reduced width, spectroscopic factors and the asymptotic normalization constant (ANC) of 16O states are extracted. The error in the spectroscopic factor is about 35% and in that of the ANC about 27%.

  17. Spectroscopic Constants and Potential Energy Curves for GeF

    NASA Astrophysics Data System (ADS)

    Liao, D. W.; Balasubramanian, K.

    1994-01-01

    The spectroscopic constants of the electronic states of GeF lying below the 60000 cm -1 region are obtained using the complete active space multiconfiguration self-consistent field followed by first- and second-order configuration interaction (FOCI. SOCI) methods which included up to a million configurations. The potential energy curves of the low-lying electronic states are also computed. The computed spectroscopic constants confirm the assignments of the X, A, a, C, C', and D' states of GeF. In addition the spectroscopic constants of several electronic states of GeF are predicted which are yet to be observed.

  18. Spectroscopic Constants and Potential Energy Curves for GeBr

    NASA Astrophysics Data System (ADS)

    Liao, D. W.; Balasubramanian, K.

    1993-12-01

    Spectroscopic constants and potential energy curves of several low-lying electronic states of the GeBr radical are computed using the complete active space multiconfiguration self-consistent filed (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods which included up to a million configurations. Our computed spectroscopic constants confirm the assignments of X, A, A‧, B, and C states. Spectroscopic properties of several other electronic states below 30 000 cm-1 are predicted, which are yet to be observed.

  19. Silicon immersion gratings and their spectroscopic applications

    NASA Astrophysics Data System (ADS)

    Ge, Jian; Zhao, Bo; Powell, Scott; Fletcher, Adam; Wan, Xiaoke; Chang, Liang; Jakeman, Hali; Koukis, Dimitrios; Tanner, David B.; Ebbets, Dennis; Weinberg, Jonathan; Lipscy, Sarah; Nyquist, Rich; Bally, John

    2012-09-01

    Silicon immersion gratings (SIGs) offer several advantages over the commercial echelle gratings for high resolution infrared (IR) spectroscopy: 3.4 times the gain in dispersion or ~10 times the reduction in the instrument volume, a multiplex gain for a large continuous wavelength coverage and low cost. We present results from lab characterization of a large format SIG of astronomical observation quality. This SIG, with a 54.74 degree blaze angle (R1.4), 16.1 l/mm groove density, and 50x86 mm2 grating area, was developed for high resolution IR spectroscopy (R~70,000) in the near IR (1.1-2.5 μm). Its entrance surface was coated with a single layer of silicon nitride antireflection (AR) coating and its grating surface was coated with a thin layer of gold to increase its throughput at 1.1-2.5 μm. The lab measurements have shown that the SIG delivered a spectral resolution of R=114,000 at 1.55 μm with a lab testing spectrograph with a 20 mm diameter pupil. The measured peak grating efficiency is 72% at 1.55 μm, which is consistent with the measurements in the optical wavelengths from the grating surface at the air side. This SIG is being implemented in a new generation cryogenic IR spectrograph, called the Florida IR Silicon immersion grating spectrometer (FIRST), to offer broad-band high resolution IR spectroscopy with R=72,000 at 1.4-1.8 um under a typical seeing condition in a single exposure with a 2kx2k H2RG IR array at the robotically controlled Tennessee State University 2-meter Automatic Spectroscopic Telescope (AST) at Fairborn Observatory in Arizona. FIRST is designed to provide high precision Doppler measurements (~4 m/s) for the identification and characterization of extrasolar planets, especially rocky planets in habitable zones, orbiting low mass M dwarf stars. It will also be used for other high resolution IR spectroscopic observations of such as young stars, brown dwarfs, magnetic fields, star formation and interstellar mediums. An optimally designed

  20. Spectroscopic classification of three supernovae with the Nordic Optical Telescope

    NASA Astrophysics Data System (ADS)

    Mattila, S.; Elias-Rosa, N.; Lundqvist, P.; Stritzinger, M.; Kuncarayakti, H.; Harmanen, J.; Pastorello, A.; Benetti, S.; Cappellaro, E.; Blagorodnova, N.; Davis, S.; Dong, S.; Fraser, M.; Gall, C.; Harrison, D.; Hodgkin, S.; Hsiao, E. Y.; Jonker, P.; Kangas, T.; Kankare, E.; Kostrzewa-Rutkowska, Z.; Nielsen, M.; Ochner, Paolo; Prieto, J. L.; Reynolds, T.; Romero-Canizales, C.; Taddia, F.; Tartaglia, L.; Terreran, G.; Tomasella, L.; Wyrzykowski, L.

    2016-04-01

    The NOT Unbiased Transient Survey (NUTS) collaboration reports the spectroscopic classifications of supernovae Gaia16akk, ASASSN-16ek, and ASASSN-16eq in an anonymous host galaxy, GALEXASC J072024.60+325058.8, and UGC 11898 respectively.

  1. SALT Spectroscopic classification of nuclear transient Gaia16cac

    NASA Astrophysics Data System (ADS)

    Hamanowicz, A.; Wyrzykowski, L.; Buckley, David; Whitelock, Patricia

    2016-12-01

    We report the spectroscopic classification of a nuclear transient Gaia16cac discovered by Gaia. The spectrum was obtained using the Robert Stobie Spectrograph (RSS) on the South African Large Telescope (SALT).

  2. 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.

  3. Apparatus and method for spectroscopic analysis of scattering media

    DOEpatents

    Strobl, Karlheinz; Bigio, Irving J.; Loree, Thomas R.

    1994-01-01

    Apparatus and method for spectroscopic analysis of scattering media. Subtle differences in materials have been found to be detectable from plots of intensity as a function of wavelength of collected emitted and scattered light versus wavelength of excitation light.

  4. Spectroscopic imaging with prospective motion correction and retrospective phase correction.

    PubMed

    Lange, Thomas; Maclaren, Julian; Buechert, Martin; Zaitsev, Maxim

    2012-06-01

    Motion-induced artifacts are much harder to recognize in magnetic resonance spectroscopic imaging than in imaging experiments and can therefore lead to erroneous interpretation. A method for prospective motion correction based on an optical tracking system has recently been proposed and has already been successfully applied to single voxel spectroscopy. In this work, the utility of prospective motion correction in combination with retrospective phase correction is evaluated for spectroscopic imaging in the human brain. Retrospective phase correction, based on the interleaved reference scan method, is used to correct for motion-induced frequency shifts and ensure correct phasing of the spectra across the whole spectroscopic imaging slice. It is demonstrated that the presented correction methodology can reduce motion-induced degradation of spectroscopic imaging data. Copyright © 2011 Wiley-Liss, Inc.

  5. Infrared spectroscopy and spectroscopic imaging in forensic science.

    PubMed

    Ewing, Andrew V; Kazarian, Sergei G

    2017-01-16

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

  6. Spectroscopic Orbits for Kepler FOV Eclipsing Binaries

    NASA Astrophysics Data System (ADS)

    Matson, Rachel A.; Gies, Douglas R.; Williams, Stephen J.; Guo, Zhao

    2013-02-01

    We are currently involved in a four year program of precise eclipsing binary photometry with the NASA Kepler Observatory. Our goal is to search for variations in minimum light timing for intermediate mass eclipsing binaries. Such periodic variations will reveal the reflex motion caused by any distant, low mass object that orbits the close binary. it Kepler's unprecedented accuracy and continuous observations provide a unique opportunity to detect the low mass companions that are predicted to result from the angular momentum of the natal cloud. The goal of this proposal is to obtain blue spectra of short period (0.9-6d) eclipsing binaries, derive radial velocities, and produce a double-lined spectroscopic orbit (as well as estimates of the stellar effective temperatures, gravities, and metallicities). Combined with the it Kepler light curve, we will determine very accurate masses and radii for the members of the close binary, which will yield the mass-inclination product M_3 sin i for any companions detected by light travel time or other effects. An extended sample of eclipsing binaries with longer periods (up to 50d) is now being investigated to test whether the presence of a tertiary companion declines with increasing period. We propose to obtain a single spectrum at quadrature for the brightest 48 stars in this expanded sample to characterize the effective temperatures and total mass contained in these systems.

  7. SPECTROSCOPIC SUBSYSTEMS IN NEARBY WIDE BINARIES

    SciTech Connect

    Tokovinin, Andrei

    2015-12-15

    Radial velocity (RV) monitoring of solar-type visual binaries has been conducted at the CTIO/SMARTS 1.5 m telescope to study short-period systems. The data reduction is described, and mean and individual RVs of 163 observed objects are given. New spectroscopic binaries are discovered or suspected in 17 objects, and for some of them the orbital periods could be determined. Subsystems are efficiently detected even in a single observation by double lines and/or by the RV difference between the components of visual binaries. The potential of this detection technique is quantified by simulation and used for statistical assessment of 96 wide binaries within 67 pc. It is found that 43 binaries contain at least one subsystem, and the occurrence of subsystems is equally probable in either primary or secondary components. The frequency of subsystems and their periods matches the simple prescription proposed by the author. The remaining 53 simple wide binaries with a median projected separation of 1300 AU have an RV difference distribution between their components that is not compatible with the thermal eccentricity distribution f (e) = 2e but rather matches the uniform eccentricity distribution.

  8. Galaxy evolution spectroscopic explorer: scientific rationale

    NASA Astrophysics Data System (ADS)

    Heap, Sara; Ninkov, Zoran; Robberto, Massimo; Hull, Tony; Purves, Lloyd

    2016-07-01

    GESE is a mission concept consisting of a 1.5-m space telescope and UV multi-object slit spectrograph designed to help understand galaxy evolution in a critical era in the history of the universe, where the rate of star-formation stopped increasing and started to decline. To isolate and identify the various processes driving the evolution of these galaxies, GESE will obtain rest-frame far-UV spectra of 100,000 galaxies at redshifts, z 1-2. To obtain such a large number of spectra, multiplexing over a wide field is an absolute necessity. A slit device such as a digital micro-mirror device (DMD) or a micro-shutter array (MSA) enables spectroscopy of a hundred or more sources in a single exposure while eliminating overlapping spectra of other sources and blocking unwanted background like zodiacal light. We find that a 1.5-m space telescope with a MSA slit device combined with a custom orbit enabling long, uninterrupted exposures ( 10 hr) are optimal for this spectroscopic survey. GESE will not be operating alone in this endeavor. Together with x-ray telescopes and optical/near-IR telescopes like Subaru/Prime Focus Spectrograph, GESE will detect "feedback" from young massive stars and massive black holes (AGN's), and other drivers of galaxy evolution.

  9. Spectroscopic Survey Of Delta Scuti Stars

    NASA Astrophysics Data System (ADS)

    Kahraman Alicavus, Filiz; Niemczura, Ewa; Polinska, Magdalena; Helminiak, Krzysztof G.; Lampens, Patricia; Molenda-Zakowicz, Joanna; Ukita, Nobuharu; Kambe, Eiji

    2016-07-01

    We present the results of a spectroscopic study of pulsating stars of Delta Scuti type. The spectral types and luminosity classes, fundamental atmospheric parameters (the effective temperature, surface gravity, microturbulent velocity), detailed chemical composition and projected rotational velocities of a significant number of Delta Scuti-type stars were derived. The spectral classification was performed by comparing the spectra of our targets with the spectra of standard stars. The atmospheric parameters were determined by using different methods. The initial atmospheric parameters were derived from the analysis of photometric indices, the spectral energy distribution and the hydrogen lines, while the final atmospheric parameters were obtained from the analysis of iron lines. The spectrum synthesis method was used to determine chemical compositions of the investigated stars. As a result, we derived accurate atmospheric parameters, the projected rotational velocities and the abundance patterns of analysed sample. These results allow us to examine the position of Delta Scuti-type stars in the H-R diagram, and to investigate the effect of the rotational velocity on pulsation properties and a chemical difference between the Delta Scuti-type stars and the Gamma Doradus and A-F type hybrid stars.

  10. Terahertz Spectroscopic Analysis of Peptides and Proteins

    NASA Astrophysics Data System (ADS)

    Falconer, Robert J.; Markelz, Andrea G.

    2012-10-01

    Spectroscopic analysis using the Terahertz frequencies between 0.1-15 THz (3-500 cm-1) has been underutilised by the biochemistry community but is starting to yield some scientifically interesting information. Analysis of structures from simple molecules like N-methylacetamide, to polyamides, peptides and relatively complex proteins provides different types of information dependant on the molecular size. The absorbance spectrum of small molecules is dominated by individual modes and specific hydrogen bonds, peptide spectra have peaks associated with secondary structure, while protein spectra are dominated by ensembles of hydrogen bonds and/or collective modes. Protein dynamics has been studied using Terahertz spectroscopy using proteins like bacteriorhodopsin, illustrating a potential application where this approach can provide complementary global dynamics information to the current nuclear magnetic resonance and fluorescence-based techniques. Analysis of higher-order protein structures like polyomavirus virus-like particles generate quite different spectra compared to their constituent parts. The presence of an extended hydration layer around proteins, first postulated to explain data generated using p-germanium spectroscopy may present a particularly interesting opportunity to better understand protein's complex interaction with water and small solutes in an aqueous environment. The practical aspects of Terahertz spectroscopy including sample handling, the use of molecular dynamics simulation and orthogonal experiment design are also discussed.

  11. Spectroscopic studies of detonating heterogeneous explosives. [HNS

    SciTech Connect

    Renlund, A.M.; Trott, W.M.

    1985-01-01

    The experimental objectives of this work are to use real-time spectroscopic techniques, emission spectroscopy and Raman spectra to monitor chemical and physical changes in shock-loaded or detonating high explosive (HE) samples. The investigators hope to identify chemical species including any transient intermediates. Also, they wish to determine the physical state of the material when the reactions are taking place; measure the temperature and the pressure; and study the effect of different initiation parameters and bulk properties of the explosive material. This work is just part of the effort undertaken to gain information on the detailed chemistry involved in initiation and detonation. In summary, the investigators have obtained vibrational temperatures of some small radical products of detonation, which may correlate with the detonation temperature. They have also observed that NO/sub 2/ is an early product from detonating HNS and RDX, and that other electronically excited radical species such as CN(B) are formed in HNS detonations. In the Raman work, the single-pulse spectra could be obtained even in the severe environment of a detonation, and that the rate of removal of the parent molecule could be monitored. 2 refs., 6 figs.

  12. Galaxy Evolution Spectroscopic Explorer: Scientific Rationale

    NASA Technical Reports Server (NTRS)

    Heap, Sara; Ninkov, Zoran; Robberto, Massimo; Hull, Tony; Purves, Lloyd

    2016-01-01

    GESE is a mission concept consisting of a 1.5-m space telescope and UV multi-object slit spectrograph designed to help understand galaxy evolution in a critical era in the history of the universe, where the rate of star-formation stopped increasing and started to decline. To isolate and identify the various processes driving the evolution of these galaxies, GESE will obtain rest-frame far-UV spectra of 100,000 galaxies at redshifts, z approximately 1-2. To obtain such a large number of spectra, multiplexing over a wide field is an absolute necessity. A slit device such as a digital micro-mirror device (DMD) or a micro-shutter array (MSA) enables spectroscopy of a hundred or more sources in a single exposure while eliminating overlapping spectra of other sources and blocking unwanted background like zodiacal light. We find that a 1.5-m space telescope with a MSA slit device combined with a custom orbit enabling long, uninterrupted exposures (approximately 10 hr) are optimal for this spectroscopic survey. GESE will not be operating alone in this endeavor. Together with x-ray telescopes and optical/near-IR telescopes like Subaru/Prime Focus Spectrograph, GESE will detect "feedback" from young massive stars and massive black holes (AGN's), and other drivers of galaxy evolution.

  13. The Lyman far ultraviolet spectroscopic explorer

    NASA Astrophysics Data System (ADS)

    Moos, Warren

    The Lyman Far UltravioletSpectroscopic Explorer mission will obtain high resolution spectra (R~30,000) in the 912 to 1200 Å region with sufficient sensitivity to study faint sources throughout the galaxy and at large extragalactic distances. This spectral region provides unique tools for solving problems in cosmology (e.g. deuterium), galactic structure and evolution (e.g. O VI and H2), stellar evolution (e.g. O VI), and planetary science (e.g. H2). The transmission of the glancing incidence telescope will enable extension of the spectral coverage with moderate resolution down to 100 Å. The Phase A instrument design consists of a 70 cm Wolter type II telescope feeding either near normal incidence gratings on the Rowland circle for the longer wavelengths or glancing incidence EUV gratings for coverage down to 100 Å. In 1989, NASA selected the mission for Phase B study. Both Canada and the United Kingdom are participating in the definition and development of the mission.

  14. Improved Reconstruction for MR Spectroscopic Imaging

    PubMed Central

    Maudsley, Andrew A.

    2009-01-01

    Sensitivity limitations of in vivo magnetic resonance spectroscopic imaging (MRSI) require that the extent of spatial-frequency (k-space) sampling be limited, thereby reducing spatial resolution and increasing the effects of Gibbs ringing that is associated with the use of Fourier transform reconstruction. Additional problems occur in the spectral dimension, where quantitation of individual spectral components is made more difficult by the typically low signal-to-noise ratios, variable lineshapes, and baseline distortions, particularly in areas of significant magnetic field inhomogeneity. Given the potential of in vivo MRSI measurements for a number of clinical and biomedical research applications, there is considerable interest in improving the quality of the metabolite image reconstructions. In this report, a reconstruction method is described that makes use of parametric modeling and MRI-derived tissue distribution functions to enhance the MRSI spatial reconstruction. Additional preprocessing steps are also proposed to avoid difficulties associated with image regions containing spectra of inadequate quality, which are commonly present in the in vivo MRSI data. PMID:17518063

  15. Multivariate analysis methods for spectroscopic blood analysis

    NASA Astrophysics Data System (ADS)

    Wood, Michael F. G.; Rohani, Arash; Ghazalah, Rashid; Vitkin, I. Alex; Pawluczyk, Romuald

    2012-01-01

    Blood tests are an essential tool in clinical medicine with the ability diagnosis or monitor various diseases and conditions; however, the complexities of these measurements currently restrict them to a laboratory setting. P&P Optica has developed and currently produces patented high performance spectrometers and is developing a spectrometer-based system for rapid reagent-free blood analysis. An important aspect of this analysis is the need to extract the analyte specific information from the measured signal such that the analyte concentrations can be determined. To this end, advanced chemometric methods are currently being investigated and have been tested using simulated spectra. A blood plasma model was used to generate Raman, near infrared, and optical rotatory dispersion spectra with glucose as the target analyte. The potential of combined chemometric techniques, where multiple spectroscopy modalities are used in a single regression model to improve the prediction ability was investigated using unfold partial least squares and multiblock partial least squares. Results show improvement in the predictions of glucose levels using the combined methods and demonstrate potential for multiblock chemometrics in spectroscopic blood analysis.

  16. HEXA: a machine for spectroscopic cartography

    NASA Astrophysics Data System (ADS)

    Barrado, D.; Aceituno, J.; Galadí, D.; Iglesias-Páramo, J.; Sánchez, S. F.

    2013-05-01

    We have performed a conceptual and viability study for HEXA, a 6.5 m aperture, wide-field telescope, with high multiplexing factor, framed in the strategic plan for the Calar Alto observatory in 2014-2018 and beyond, centred on the scientific cases arisen from the current need for wide-field spectroscopic surveys with very large multiplexing capability. The baseline design considers a field-of-view of 1.5°, multiplexing factor around or over 500 and possible spectral resolutions in the interval R = 5000 - 50 000, with instruments placed on two Nasmyth platforms. Other variants are also considered, including Ritchey-Chrétien and prime-focus solutions. The telescope concept is described, together with the instruments that have already undergone, or that are still undergoing, the conceptual design process: CEO, an innovative Imaging Fourier Transform spectrograph. GEA, a Gaia-inspired drift-scanning slitless spectrograph. BRONTESS, a fast and simple camera for guiding and ToO work. A PMAS-based multi-IFU, highly multiplexed spectrograph. And the multi-fibre spectrograph GYGES. Some of the instrument concepts analysed are based on the versatile fiber-positioner HECATE (with a minimum of 361 positioners). Some of the fibre-based instruments would allow, too, fibres entering a battery of CAF{É}-type high-res spectrographs.

  17. Integrated Capture and Spectroscopic Detection of Viruses▿

    PubMed Central

    Vargas, Crystal A.; Wilhelm, Allison A.; Williams, Jeremy; Lucas, Pierre; Reynolds, Kelly A.; Riley, Mark R.

    2009-01-01

    The goal of this work is to develop an online monitoring scheme for detection of viruses in flowing drinking water. The approach applies an electrodeposition process that is similar to the use of charged membrane filters previously employed for collection of viruses from aqueous samples. In the present approach, charged materials are driven onto a robust optical sensing element which has high transparency to infrared light. A spectroscopic measurement is performed using the evanescent wave that penetrates no more than 1 μm from the surface of an infrared optical element in an attenuated total reflectance measurement scheme. The infrared measurement provides quantitative information on the amount and identity of material deposited from the water. Initial studies of this sensing scheme used proteins reversibly electrodeposited onto germanium chips. The results of those studies were applied to design a method for collection of viruses onto an attenuated total reflectance crystal. Spectral signatures can be discriminated between three types of protein and two viruses. There is the potential to remove deposited material by reversing the voltage polarity. This work demonstrates a novel and practical scheme for detection of viruses in water systems with potential application to near-continual, automated monitoring of municipal drinking water. PMID:19700543

  18. Galaxy Evolution Spectroscopic Explorer: Scientific Rationale

    NASA Technical Reports Server (NTRS)

    Heap, Sara; Ninkov, Zoran; Robberto, Massimo; Hull, Tony; Purves, Lloyd

    2016-01-01

    GESE is a mission concept consisting of a 1.5-m space telescope and UV multi-object slit spectrograph designed to help understand galaxy evolution in a critical era in the history of the universe, where the rate of star-formation stopped increasing and started to decline. To isolate and identify the various processes driving the evolution of these galaxies, GESE will obtain rest-frame far-UV spectra of 100,000 galaxies at redshifts, z approximately 1-2. To obtain such a large number of spectra, multiplexing over a wide field is an absolute necessity. A slit device such as a digital micro-mirror device (DMD) or a micro-shutter array (MSA) enables spectroscopy of a hundred or more sources in a single exposure while eliminating overlapping spectra of other sources and blocking unwanted background like zodiacal light. We find that a 1.5-m space telescope with a MSA slit device combined with a custom orbit enabling long, uninterrupted exposures (approximately 10 hr) are optimal for this spectroscopic survey. GESE will not be operating alone in this endeavor. Together with x-ray telescopes and optical/near-IR telescopes like Subaru/Prime Focus Spectrograph, GESE will detect "feedback" from young massive stars and massive black holes (AGN's), and other drivers of galaxy evolution.

  19. Raman spectroscopic quantification of milk powder constituents.

    PubMed

    McGoverin, C M; Clark, A S S; Holroyd, S E; Gordon, K C

    2010-07-12

    Raman spectroscopy has significant potential for the quantification of food products. Milk powder is an important foodstuff and ingredient that is produced on large scale (over 20 million tonnes per annum). Raman spectroscopy, unlike near- and mid-infrared spectroscopies, has not been used extensively to quantify milk powder constituents. The effect of sample presentation on spectroscopic calibrations of protein and fat for 136 New Zealand milk powders was assessed using Raman spectroscopy. Prediction models were produced to quantify a protein concentration range of 32.19-37.65% w/w for skim milk powder, and a protein concentration range of 23.34-25.02% w/w and a fat concentration range of 26.26-29.68% w/w for whole milk powder (where ratios of prediction to deviation exceeded 2.6 with one exception). The resultant calibrations were not influenced by sample orientation; the sample temperature during data collection did affect the calibrations. Calcium fortification in the form of calcium carbonate was identified within a sub-set of samples, reinforcing the efficacy of Raman spectroscopy for identifying both crystalline and non-crystalline constituents within milk powder.

  20. Spectroscopic characterization of alkaline earth uranyl carbonates

    NASA Astrophysics Data System (ADS)

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

    2005-02-01

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

  1. Quadrupole resonance spectroscopic study of narcotic materials

    NASA Astrophysics Data System (ADS)

    Rayner, Timothy J.; West, Rebecca; Garroway, Allen N.; Lyndquist, R.; Yesinowski, James P.

    1997-02-01

    Bulk narcotic detection systems based upon Quadrupole Resonance Analysis (QRA) technology have a major advantage over imaging technologies, in that QRA is chemical-specific and consequently has a lower rate of false alarms. QRA is a magnetic resonance technology which occurs as a result of the inherent molecular properties of the atomic nuclei in crystalline and amorphous solids. The QRA response is characterized by 1) the precessional frequency of the nucleus, and 2) the nature of the electric field gradient experienced by the nucleus,due to its molecular environment. Another important detection parameter is linewidth, resonant quality. All of these parameters depend on sample purity and manufacturing process. Quantum Magnetics recently carried out a study on the QRA signatures of various narcotic materials with the support of the US Army, US Customs, and the Office of National Drug Control Policy. The aim of the study was to fully characterize the variation in QRA spectroscopic parameters of different samples of cocaine base and cocaine hydrochloride. The results from this study ar discussed here.

  2. The BAT AGN Spectroscopic Survey (BASS)

    NASA Astrophysics Data System (ADS)

    Koss, Michael

    2017-08-01

    We present the Swift BAT AGN Spectroscopic Survey (BASS) and discus the first four papers. The catalog represents an unprecedented census of hard-X-ray selected AGN in the local universe, with ~90% of sources at z<0.2. Starting from an all-sky catalog of AGN detected based on their 14-195 keV flux from the 70-month Swift/BAT catalog, we analyze a total of 1279 optical spectra, taken from twelve different telescopes, for a total of 642 spectra of unique AGN. We present the absorption and emission line measurements as well as black hole masses and accretion rates for the majority of obscured and un-obscured AGN (473), representing more than a factor of 10 increase from past studies. Consistent with previous surveys, we find an increase in the fraction of un-obscured (type 1) AGN, as measured from broad Hbeta and Halpha, with increasing 14-195 keV and 2-10 keV luminosity. We find the FWHM of the emission lines to show broad agreement with the X-ray obscuration measurements. Compared to narrow line AGN in the SDSS, the X-ray selected AGN in our sample with emission lines have a larger fraction of dustier galaxies suggesting these types of galaxies are missed in optical AGN surveys using emission line diagnostics.

  3. 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.

  4. Spectroscopic studies of nanoscale metal clusters

    NASA Astrophysics Data System (ADS)

    Gangopadhyay, P.

    2013-06-01

    The present article is intended to elucidate a range of novel spectroscopic studies of nanoscale metal clusters. Various bottom-up and top-down techniques have been utilized to synthesize the metal nanoclusters. Materials like metal nanoclusters of cobalt, silver or gold in various dielectric matrices facilitate to explore interesting phenomena through optical, photoluminescence and vibrational spectroscopy. Interaction of uv-visible light with free electrons of metal nanoclusters, for example, leads to fascinating colors of dielectric matrices through an optical effect known as surface-plasmon resonance. This effect of quantum-confinement of the electrons leads to large enhancements of local electric field in metal nanoclusters. Enhancements of Raman scattering from metal nanoclusters are attributed to the increase of local fields. Optical absorption and Raman scattering spectroscopy particularly have been highlighted here as powerful non-destructive experimental methods to study evolution of metal nanoclusters in different dielectric matrices. In relatively large metal nanoclusters, besides dipolar, quadrupolar surface-plasmon resonances have been observed.

  5. High-end spectroscopic diffraction gratings: design and manufacturing

    NASA Astrophysics Data System (ADS)

    Glaser, Tilman

    2015-02-01

    Diffraction gratings are key components for spectroscopic systems. For high-end applications, they have to meet advanced requirements as, e.g., maximum efficiency, lowest possible scattered light level, high numerical aperture, and minimal aberrations. Diffraction gratings are demanded to allow spectrometer designs with highest resolution, a maximal étendue, and minimal stray light, built within a minimal volume. This tutorial is intended to provide an overview of different high-end spectroscopic gratings, their theoretical design and manufacturing technologies.

  6. Theoretical interpretation of electron energy-loss spectroscopic images

    DOE PAGES

    Allen, L. J.; D'Alfonso, Adrian J.; Findlay, Scott D.; ...

    2008-04-10

    In this paper, we discuss the theory of electron energy-loss spectroscopic images in scanning transmission electron microscopy. Three case studies are presented which have as common themes issues of inelastic scattering, coherence and image interpretation. The first is a state-by-state inelastic transitions analysis of a spectroscopic image which does not admit direct visual interpretation. The second compares theory and experiment for two-dimensional mapping. Finally, the third considers imaging in three dimensions via depth sectioning.

  7. Laser irradiated gas jet: A spectroscopic experimental and theoretical study

    SciTech Connect

    Lee, R.W.; Matthews, D.L.; Koppel, L.; Busch, G.E.; Charatis, G.; Dunning, M.J.; Mayer, F.J.

    1983-09-01

    We present x-ray spectroscopic measurements of the longitudinal electron density profile and the longitudinal and transverse electron temperature profiles for a laser irradiated gas jet. We attempt to verify our spectroscopic method by laser interferometry and by comparison of inferred quantities to those determined from laser plasma interaction simulations. Because temperature profiles were time dependent, we used a theoretical time dependent radiation transport code to analyze the data.

  8. Spectroscopic characteristics of chromium doped mullite glass-ceramics

    SciTech Connect

    Wojtowicz, A.J.; Meng, W.; Lempicki, A.; Beall, G.H.; Hall, D.W.; Chin, T.C.

    1988-06-01

    Characteristics of chromium doped mullite ceramics are discussed with reference to possible laser applications. Dominant features are attributed to large and inherent spectroscopic inhomogeneity of mullite. The spectroscopic data are analyzed using a generalized McCumber theory. The peak stimulated emission cross section is 0.54 x 10/sup -20/ cm/sup 2/. This, together with preliminary single-pass measurements, indicate that gain for mullite is about 2.6 times smaller than gain for alexandrite.

  9. Desirable evolutions of stellar spectroscopic services in the light

    NASA Astrophysics Data System (ADS)

    Lançan, A.; Prugniel, P.; Powalka, M.; Vauglin, I.

    2016-12-01

    Recent and future surveys have improved the precision and the accuracy of photometric and spectroscopic observations of remote galaxies. By examining the difficulties encountered in the modelling of these stellar populations, we identify a few key requests to future libraries of stellar spectra and to the related spectroscopic services. Beside providing data access, future services should increasingly focus on the associated on-line and off-line tools required to model and analyse galaxy spectra.

  10. Whispering Gallery Optical Resonator Spectroscopic Probe and Method

    NASA Technical Reports Server (NTRS)

    Anderson, Mark S. (Inventor)

    2014-01-01

    Disclosed herein is a spectroscopic probe comprising at least one whispering gallery mode optical resonator disposed on a support, the whispering gallery mode optical resonator comprising a continuous outer surface having a cross section comprising a first diameter and a second diameter, wherein the first diameter is greater than the second diameter. A method of measuring a Raman spectrum and an Infra-red spectrum of an analyte using the spectroscopic probe is also disclosed.

  11. [Spectroscopic characteristics of novel Psidium meroterpenoids isolated from guava leaves].

    PubMed

    Ouyang, Wen; Zhu, Xiao-ai; Liu, Xiao-juan; Yie, Shu-min; Zhao, Litchao; Su, Lei; Cao, Yong

    2015-07-01

    Recently, novel Psidium meroterpenoids were reported in the guava leaves. According to careful analysis of the spectral data of literatures, the spectroscopic characteristics and biosynthetic pathway of Psidium meroterpenoids were summarized in this paper. The results showed that Psidium meroterpenoids had distinct spectroscopic features and reasonable biosynthetic routines, however the number order of carbon atoms was not consistent in the reported literatures. It was concluded that Psidium meroterpenoids were the characteristic chemical constituents of Psidium guajava Linn.

  12. Spectroscopic constants and potential energy curves of GeF +

    NASA Astrophysics Data System (ADS)

    Xu, Hua; Balasubramanian, K.

    1995-05-01

    Spectroscopic constants and potential energy curves of 27 electronic states of GeF + are computed using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods that included up to 1.6 million configurations. Our computed spectroscopic constants of the 1Σ+ electronic state fit well with the experimentally observed X ground state. Other yet to be observed properties of several excited electronic states are reported.

  13. Spectroscopic constants and potential energy curves of SnF

    NASA Astrophysics Data System (ADS)

    Dai, Dingguo; Balasubramanian, K.

    1994-07-01

    Spectroscopic constants and potential energy curves of 20 electronic states of SnF arising from valence dissociation limits are computed using the complete active space MCSCF (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods, which included up to one million configurations. Our computed spectroscopic constants of five electronic states fit well with the experimentally observed X, A, a, and C states. The dipole moments and other yet to be observed properties of several electronic states are reported.

  14. Spectroscopic Properties and Potential Energy Curves of SnF +

    NASA Astrophysics Data System (ADS)

    Balasubramanian, K.; Xu, H.

    1995-06-01

    Spectroscopic properties and potential energy curves of several electronic states of SnF+ are computed using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods that include up to 1.6 million configurations. Spin-orbit effects were incorporated using the relativistic configuration interaction (RCI) method. Spectroscopic properties of several excited electronic states of SnF+ are reported, none of which is observed at present.

  15. The spectroscopic indistinguishability of red giant branch and red clump stars

    NASA Astrophysics Data System (ADS)

    Masseron, T.; Hawkins, K.

    2017-01-01

    Context. Stellar spectroscopy provides useful information on the physical properties of stars such as effective temperature, metallicity and surface gravity. However, those photospheric characteristics are often hampered by systematic uncertainties. The joint spectro-sismo project (APOGEE+Kepler, aka APOKASC) of field red giants has revealed a puzzling offset between the surface gravities (log g) determined spectroscopically and those determined using asteroseismology, which is largely dependent on the stellar evolutionary status. Aims: Therefore, in this letter, we aim to shed light on the spectroscopic source of the offset. Methods: We used the APOKASC sample to analyse the dependencies of the log g discrepancy as a function of stellar mass and stellar evolutionary status. We discuss and study the impact of some neglected abundances on spectral analysis of red giants, such as He and carbon isotopic ratio. Results: We first show that, for stars at the bottom of the red giant branch where the first dredge-up had occurred, the discrepancy between spectroscopic log g and asteroseismic log g depends on stellar mass. This seems to indicate that the log g discrepancy is related to CN cycling. Among the CN-cycled elements, we demonstrate that the carbon isotopic ratio (12C /13C) has the largest impact on stellar spectrum. In parallel, we observe that this log g discrepancy shows a similar trend as the 12C /13C ratios as expected by stellar evolution theory. Although we did not detect a direct spectroscopic signature of 13C, other corroborating evidences suggest that the discrepancy in log g is tightly correlated to the production of 13C in red giants. Moreover, by running the data-driven algorithm (the Cannon) on a synthetic grid trained on the APOGEE data, we try to evaluate more quantitatively the impact of various 12C /13C ratios. Conclusions: While we have demonstrated that 13C indeed impacts all parameters, the size of the impact is smaller than the observed offset

  16. THE zCOSMOS 10k-BRIGHT SPECTROSCOPIC SAMPLE

    SciTech Connect

    Lilly, Simon J.; Maier, Christian; Carollo, Marcella; Caputi, Karina; Le Brun, Vincent; Kneib, Jean-Paul; Le Fevre, Olivier; De la Torre, Sylvain; De Ravel, Loic; Mainieri, Vincenzo; Mignoli, Marco; Zamorani, Gianni; Bardelli, Sandro; Bolzonella, Micol; Coppa, Graziano; Scodeggio, Marco; Contini, Thierry; Bongiorno, Angela; Cucciati, Olga

    2009-10-01

    We present spectroscopic redshifts of a large sample of galaxies with I {sub AB} < 22.5 in the COSMOS field, measured from spectra of 10,644 objects that have been obtained in the first two years of observations in the zCOSMOS-bright redshift survey. These include a statistically complete subset of 10,109 objects. The average accuracy of individual redshifts is 110 km s{sup -1}, independent of redshift. The reliability of individual redshifts is described by a Confidence Class that has been empirically calibrated through repeat spectroscopic observations of over 600 galaxies. There is very good agreement between spectroscopic and photometric redshifts for the most secure Confidence Classes. For the less secure Confidence Classes, there is a good correspondence between the fraction of objects with a consistent photometric redshift and the spectroscopic repeatability, suggesting that the photometric redshifts can be used to indicate which of the less secure spectroscopic redshifts are likely right and which are probably wrong, and to give an indication of the nature of objects for which we failed to determine a redshift. Using this approach, we can construct a spectroscopic sample that is 99% reliable and which is 88% complete in the sample as a whole, and 95% complete in the redshift range 0.5 < z < 0.8. The luminosity and mass completeness levels of the zCOSMOS-bright sample of galaxies is also discussed.

  17. Infrared spectroscopic imaging microscopy: Applications to biological systems

    SciTech Connect

    Kidder, Linda H.; Levin, Ira W.; Lewis, E. Neil

    1998-06-01

    The coupling of imaging modalities with spectroscopic techniques adds additional dimensions to sample analysis in both the spectroscopic and spatial domains. The particular ability of infrared (IR) imaging to explore the spatial distribution of chemically distinct species on length scales ranging from microns to kilometers demonstrates the versatility and diversity of spectroscopic imaging. In this paper, we focus on the further development of our Fourier-transform (FT) based mid-IR spectroscopic imaging technique which combines the analytical capabilities of mid-IR spectroscopy with the morphological information obtained from optical imaging. The seamless combination of spectroscopy for molecular analysis with the power of visualization represents the future of infrared microscopy. Our spectroscopic imaging instrument integrates several infrared focal-plane arrays with a Michelson step-scan interferometer, generating high-fidelity and high spectral resolution mid-infrared spectroscopic images. The instrumentation produces multidimensional, chemically specific images, while simultaneously obtaining high resolution spectra for each detector pixel. The spatial resolution of the images approaches the diffraction limit for mid-infrared wavelengths, while the spectral resolution is determined by the interferometer, and can be 4 cm{sup -1} or higher. Data derived from a variety of materials, particularly biological samples, illustrate the capabilities of the technique for readily visualizing chemical complexity and for providing statistical data on sample heterogeneity.

  18. Skin hydration by spectroscopic imaging using multiple near-infrared bands

    NASA Astrophysics Data System (ADS)

    Attas, E. Michael; Sowa, Michael G.; Posthumus, Trevor B.; Schattka, Bernhard J.; Mantsch, Henry H.; Zhang, Shuliang L.

    2002-03-01

    Near-infrared spectroscopic methods have been developed to determine the degree of hydration of human skin in vivo. Reflectance spectroscopic imaging was used to investigate the distribution of skin moisture as a function of location. A human study in a clinical setting has generated quantitative data showing the effects of a drying agent and a moisturizer on delineated regions of the forearms of eight volunteers. Two digital imaging systems equipped with liquid-crystal tunable filters were used to collect stacks of monochromatic images at 10-nm intervals over the wavelength bands 650-1050 nm and 960-1700 nm. Images generated from measurements of water absorption-band areas at three different near-IR wavelengths (970, 1200, and 1450 nm) showed obvious differences in the apparent distribution of water in skin. Changes resulting from the skin treatments were much more evident in the 1200-nm and 1450-nm images than in the 970-nm ones. The variable sensitivity of the method at different wavelengths has been interpreted as being the result of different penetration depths of the infrared light used in the reflectance studies. Ex-vivo experiments with pigskin have provided evidence supporting the relationship between wavelength and penetration depth. Combining the hydration results from several near-IR water bands allows additional information on hydration depth to be obtained.

  19. Spectroscopic observations of the exoplanet WASP-32b transit

    NASA Astrophysics Data System (ADS)

    Grauzhanina, A. O.; Valyavin, G. G.; Gadelshin, D. R.; Baklanova, D. N.; Plachinda, S. I.; Antonyuk, K. A.; Pit, N. V.; Galazutdinov, G. A.; Valeev, A. F.; Burlakova, T. E.; Kholtygin, A. F.

    2017-01-01

    We present first results of spectroscopic observations of transiting exoplanets in the Special Astrophysical Observatory of the Russian Academy of Sciences with the Main Stellar Spectrograph of the 6-m BTA telescope. For the exoplanetWASP-32b, we detected a significant variation of intensity and equivalent width in the Hα spectral line of the parent star at the time of a transit. The equivalent width of the line during transit is by 8-10% larger than outside the planet passage. Residual intensity in the core of the line reveals the following tendency: the line is by 10-15% deeper inside transit than outside it. Observations with the long-slit spectrograph of the Crimean Astrophysical Observatory at the 2.6-m ZTSh telescope also showed a transit event in the Hα line, although, with a smaller amplitude and shape inverted in relation to the data from the 6-m telescope. While in the observations with the BTA the Hα line becomes deeper during the transit, in the ZTSh observations, the residual intensity of the Hα line decreases during the transit. Reducing and analysis of the archive data of WASP-32b observations with the HARPS spectrograph also confirm the Hα line modulation at the time of the transit. The observed data give evidence of the envelope in WASP-32b filling the Roche lobe and a comet-like tail of changing geometry and orientation relative to the observer. These changes determine different depths and shapes of the Hα spectral line at the time of transits.

  20. The corrinoid-containing 23-kDa subunit MtrA of the energy-conserving N5-methyltetrahydromethanopterin:coenzyme M methyltransferase complex from Methanobacterium thermoautotrophicum. EPR spectroscopic evidence for a histidine residue as a cobalt ligand of the cobamide.

    PubMed

    Harms, U; Thauer, R K

    1996-10-01

    N5-Methyltetrahydromethanopterin:coenzyme M methyltransferase (Mtr) from Methanobacterium thermoautotrophicum is a membrane-associated enzyme complex that catalyzes an energy-conserving, sodium ion translocating step in methanogenesis from H2 and CO2. The complex is composed of eight different subunits, MtrA-H, one of which (MtrA) harbours a corrinoid as prosthetic group. In this study, we report the structural properties of MtrA1 [des-(214-239)-MtrA], which is a deletion mutant of MtrA that lacks the last 25 C-terminal hydrophobic amino acids rendering the membrane protein soluble: (a) mtrA1 was heterologously expressed in Escherichia coli. Overexpression yielded a cytoplasmic protein which was purified approximately tenfold to apparent homogeneity. The purified protein was devoid of its corrinoid prosthetic group and not correctly folded as was evident from its electrophoretic mobility in SDS/PAGE. (b) Unfolding of MtrA1 with guanidine/HCl and refolding in the presence of cobalamin resulted in the formation of the correctly folded MtrA1 holoprotein that contained tightly bound cob(II)-alamin; the rate of reconstitution was highest when the refolding proceeded in the presence of titanium(III) citrate, which suggested that cob(I)alamin is the corrinoid species that binds to the apoprotein. (c) EPR spectra of the cob(II)alamin-containing holoprotein differentially labelled with 14N (nuclear spin 1) and 15N (nuclear spin 1/2) revealed that the corrinoid is bound to MtrA1 in the base-off form and that the Co(II) of the prosthetic group is coordinated by a histidine residue of the apoprotein. The results are interpreted with respect to the mechanism of energy conservation by the MtrA-H complex.

  1. 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

  2. On determining dose rate constants spectroscopically

    SciTech Connect

    Rodriguez, M.; Rogers, D. W. O.

    2013-01-15

    Purpose: To investigate several aspects of the Chen and Nath spectroscopic method of determining the dose rate constants of {sup 125}I and {sup 103}Pd seeds [Z. Chen and R. Nath, Phys. Med. Biol. 55, 6089-6104 (2010)] including the accuracy of using a line or dual-point source approximation as done in their method, and the accuracy of ignoring the effects of the scattered photons in the spectra. Additionally, the authors investigate the accuracy of the literature's many different spectra for bare, i.e., unencapsulated {sup 125}I and {sup 103}Pd sources. Methods: Spectra generated by 14 {sup 125}I and 6 {sup 103}Pd seeds were calculated in vacuo at 10 cm from the source in a 2.7 Multiplication-Sign 2.7 Multiplication-Sign 0.05 cm{sup 3} voxel using the EGSnrc BrachyDose Monte Carlo code. Calculated spectra used the initial photon spectra recommended by AAPM's TG-43U1 and NCRP (National Council of Radiation Protection and Measurements) Report 58 for the {sup 125}I seeds, or TG-43U1 and NNDC(2000) (National Nuclear Data Center, 2000) for {sup 103}Pd seeds. The emitted spectra were treated as coming from a line or dual-point source in a Monte Carlo simulation to calculate the dose rate constant. The TG-43U1 definition of the dose rate constant was used. These calculations were performed using the full spectrum including scattered photons or using only the main peaks in the spectrum as done experimentally. Statistical uncertainties on the air kerma/history and the dose rate/history were Less-Than-Or-Slanted-Equal-To 0.2%. The dose rate constants were also calculated using Monte Carlo simulations of the full seed model. Results: The ratio of the intensity of the 31 keV line relative to that of the main peak in {sup 125}I spectra is, on average, 6.8% higher when calculated with the NCRP Report 58 initial spectrum vs that calculated with TG-43U1 initial spectrum. The {sup 103}Pd spectra exhibit an average 6.2% decrease in the 22.9 keV line relative to the main peak when

  3. Soft tissue imaging with photon counting spectroscopic CT

    NASA Astrophysics Data System (ADS)

    Shikhaliev, Polad M.

    2015-03-01

    The purpose of this work was experimental investigation of photon counting spectroscopic CT (PCS-CT) imaging of anatomical soft tissue with clinically relevant size. The imaging experiments were performed using a spectroscopic CT system based on CdZnTe photon counting detector with two rows of pixels, 256 pixels in each row, 1  ×  1 mm2 pixel size, and 25.6 cm detector length. The detector could split the x-ray energy spectrum to 5 regions (energy bins), and acquire 5 multi-energy (spectroscopic) CT images in a single CT scan. A sample of round shaped anatomical soft tissue of 14 cm diameter including lean and fat was used for imaging. To avoid the negative effect of anatomical noise on quantitative analysis, a spectroscopic CT phantom with tissue equivalent solid materials was used. The images were acquired at 60, 90, and 120 kVp tube voltages, and spectroscopic image series were acquired with 3 and 5 energy bins. Spectroscopic CT numbers were introduced and used to evaluate an energy selective image series. The anatomical soft tissue with 14 cm diameter was visualized with good quality and without substantial artifacts by the photon counting spectroscopic CT system. The effects of the energy bin crosstalk on spectroscopic CT numbers were quantified and analyzed. The single and double slice PCS-CT images were acquired and compared. Several new findings were observed, including the effect of soft tissue non-uniformity on image artifacts, unique status of highest energy bin, and material dependent visualization in spectroscopic image series. Fat-lean decomposition was performed using dual energy subtraction and threshold segmentation methods, and compared. Using K-edge filtered x-rays improved fat-lean decomposition as compared to conventional x-rays. Several new and important aspects of the PCS-CT were investigated. These include imaging soft tissue with clinically relevant size, single- and double-slice PCS-CT imaging, using spectroscopic CT

  4. Soft tissue imaging with photon counting spectroscopic CT.

    PubMed

    Shikhaliev, Polad M

    2015-03-21

    The purpose of this work was experimental investigation of photon counting spectroscopic CT (PCS-CT) imaging of anatomical soft tissue with clinically relevant size. The imaging experiments were performed using a spectroscopic CT system based on CdZnTe photon counting detector with two rows of pixels, 256 pixels in each row, 1  ×  1 mm(2) pixel size, and 25.6 cm detector length. The detector could split the x-ray energy spectrum to 5 regions (energy bins), and acquire 5 multi-energy (spectroscopic) CT images in a single CT scan. A sample of round shaped anatomical soft tissue of 14 cm diameter including lean and fat was used for imaging. To avoid the negative effect of anatomical noise on quantitative analysis, a spectroscopic CT phantom with tissue equivalent solid materials was used. The images were acquired at 60, 90, and 120 kVp tube voltages, and spectroscopic image series were acquired with 3 and 5 energy bins. Spectroscopic CT numbers were introduced and used to evaluate an energy selective image series. The anatomical soft tissue with 14 cm diameter was visualized with good quality and without substantial artifacts by the photon counting spectroscopic CT system. The effects of the energy bin crosstalk on spectroscopic CT numbers were quantified and analyzed. The single and double slice PCS-CT images were acquired and compared. Several new findings were observed, including the effect of soft tissue non-uniformity on image artifacts, unique status of highest energy bin, and material dependent visualization in spectroscopic image series. Fat-lean decomposition was performed using dual energy subtraction and threshold segmentation methods, and compared. Using K-edge filtered x-rays improved fat-lean decomposition as compared to conventional x-rays. Several new and important aspects of the PCS-CT were investigated. These include imaging soft tissue with clinically relevant size, single- and double-slice PCS-CT imaging, using spectroscopic CT

  5. Optical spectroscopic determination of human meniscus composition.

    PubMed

    Ala-Myllymäki, Juho; Honkanen, Juuso T J; Töyräs, Juha; Afara, Isaac O

    2016-02-01

    This study investigates the correlation between the composition of human meniscus and its absorption spectrum in the visible (VIS) and near infrared (NIR) spectral range. Meniscus samples (n = 24) were obtained from nonarthritic knees of human cadavers with no history of joint diseases. Specimens (n = 72) were obtained from three distinct sections of the meniscus, namely; anterior, center, posterior. Absorption spectra were acquired from each specimen in the VIS and NIR spectral range (400-1,100 nm). Following spectroscopic probing, the specimens were subjected to biochemical analyses to determine the matrix composition, that is water, hydroxyproline, and uronic acid contents. Multivariate analytical techniques, including principal component analysis (PCA) and partial least squares (PLS) regression, were then used to investigate the correlation between the matrix composition and it spectral response. Our results indicate that the optical absorption of meniscus matrix is related to its composition, and this relationship is optimal in the NIR spectral range (750-1,100 nm). High correlations (R(2) (uronic)  = 86.9%, R(2) (water)  = 83.8%, R(2) (hydroxyproline)  = 81.7%, p < 0.0001) were obtained between the spectral predicted and measured meniscus composition, thus suggesting that spectral data in the NIR range can be utilized for estimating the matrix composition of human meniscus. In conclusion, optical spectroscopy, particularly in the NIR spectral range, is a potential method for evaluating the composition of human meniscus. This presents a promising technique for rapid and nondestructive evaluation of meniscus integrity in real-time during arthroscopic surgery.

  6. The BAT AGN Spectroscopic Survey (BASS)

    NASA Astrophysics Data System (ADS)

    Koss, Michael; Trakhtenbrot, Benny; Ricci, Claudio; Lamperti, Isabella; Oh, Kyuseok; Berney, Simon; Schawinski, Kevin; Balokovic, Mislav; Baronchelli, Linda; Gehrels, Neil; Stern, Daniel; Mushotzky, Richard; Veilleux, Sylvain; Ueda, Yoshihiro; Crenshaw, D. Michael; Harrison, Fiona; Fischer, Travis C.; Treister, Ezequiel; BASS Team; Swift BAT Team

    2017-01-01

    We present the Swift BAT AGN Spectroscopic Survey (BASS) and discus the first four papers. The catalog represents an unprecedented census of hard-X-ray selected AGN in the local universe, with ~90% of sources at z<0.2. Starting from an all-sky catalog of AGN detected based on their 14-195 keV flux from the 70-month Swift/BAT catalog, we analyze a total of 1279 optical spectra, taken from twelve dierent telescopes, for a total of 642 spectra of unique AGN. We present the absorption and emission line measurements as well as black hole masses and accretion rates for the majority of obscured and un-obscured AGN (473), representing more than a factor of 10 increase from past studies. Consistent with previous surveys, we find an increase in the fraction of un-obscured (type 1) AGN, as measured from broad Hbeta and Halpha, with increasing 14-195 keV and 2-10 keV luminosity. We find the FWHM of the emission lines to show broad agreement with the X-ray obscuration measurements. Compared to narrow line AGN in the SDSS, the X-ray selected AGN in our sample with emission lines have a larger fraction of dustier galaxies suggesting these types of galaxies are missed in optical AGN surveys using emission line diagnostics. Additionally, we discuss follow-on efforts to study the variation of [OIII] to Xray measurements, a new method to measure accretion rates from using line ratios, a sample of 100 AGN observed with NIR spectroscopy, and an effort to measure the accretion rates and obscuration with merger stage in a subsample of mergers.

  7. The SPHEREx All-Sky Spectroscopic Survey

    NASA Astrophysics Data System (ADS)

    Unwin, Stephen C.; SPHEREx Science Team, SPHEREx Project Team

    2016-06-01

    SPHEREx is a mission to conduct an optical-near-IR survey of the entire sky with a spectrum at every pixel location. It was selected by NASA for a Phase A study in its Small Explorer Program; if selected, development would begin in 2016, and the observatory would start a 2-year prime mission in 2020. An all-sky spectroscopic survey can be used to tackle a wide range of science questions. The SPHEREx science team is focusing on three: (1) Probing the physics of inflation through measuring non-Gaussianity from the study of large-scale structure; (2) Studying the origin of water and biogenic molecules in a wide range of physical and chemical environments via ice absorption spectra; (3) Charting the history of star formation in the universe through intensity mapping of the large-scale spatial power. The instrument is a small wide-field telescope operating in the range of 0.75 - 4.8 µm at a spectral resolution of 41.5 in the optical and 150 at the long-wavelength end. It observes in a sun-sync low-earth orbit, covering the sky like WISE and COBE. SPHEREx is a simple instrument that requires no new technology. The Phase A design has substantial technical and resource margins and can be built with low risk. It is a partnership between Caltech and JPL, with Ball Aerospace and the Korea Astronomy and Space Science Institute as major partners. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration.

  8. Raman Spectroscopic Investigation of Dyes in Spices

    NASA Astrophysics Data System (ADS)

    Uhlemann, Ute; Ramoji, Anuradha; Rösch, Petra; Da Costa Filho, Paulo Augusto; Robert, Fabien; Popp, Jürgen

    2010-08-01

    In this study, a number of synthetic colorants for spices have been investigated by means of Raman spectroscopy, resonance Raman spectroscopy, and surface enhanced (resonance) Raman spectroscopy (SER(S)). The aim of the study was the determination of limits of detection for each dye separately and in binary mixtures of dyes in spiked samples of the spices. Most of the investigated dyes have been azo dyes, some being water-soluble, the other being fat-soluble. Investigating the composition of food preparations is an ongoing and important branch of analytical sciences. On one hand, new ingredients have to be analyzed with regard to their contents, on the other hand, raw materials that have been tampered have to be eliminated from food production processes. In the last decades, the various Raman spectroscopic methods have proven to be successful in many areas of life and materials sciences. The ability of Raman spectroscopy to distinguish even structural very similar analytes by means of their vibrational fingerprint will also be important in this study. Nevertheless, Raman scattering is a very weak process that is oftentimes overlaid by matrix interferences or fluorescence. In order to achieve limits of detection in the nanomolar range, the signal intensity has to be increased. According to the well-known equations, there are several ways of achieving this increase: •increasing sample concentration •increasing laser power •decreasing the laser wavelength •using electronic resonance •increasing the local electromagnetic field In this study, nearly all of the above-mentioned principles were applied. In a first step, all dyes were investigated in solution at different concentrations to determine a limit of detection. In the second step, spiked spice samples have been extracted with a variety of solvents and process parameters tested. To lower the limit of detection even further, SERS spectroscopy has been used as well in as out of electronic resonance.

  9. Orbital Parameters for Two Young Spectroscopic Binaries

    NASA Astrophysics Data System (ADS)

    Karnath, Nicole

    I report orbital parameters for two low-mass, pre-main sequence spectroscopic binaries VSB 111 and VSB 126. These systems were originally identified as single-lined on the basis of visible-light spectral observations. High-resolution, infrared spectra were obtained to detect absorption lines of the secondary stars and measure radial velocities of both components in the systems. The combination of the visible and infrared observations of VSB 111 leads to a period of 902.1+/-0.9 days, an eccentricity of 0.788+/-0.008, and a mass ratio of 0.52+/-0.05. VSB 126 has a period of 12.9244+/-0.0002 days, an eccentricity of 0.18+/-0.02, and a mass ratio of 0.29+/-0.02. Visible-light photometry using the 0.8-m telescope at Lowell Observatory provided rotation periods for the primary stars in both systems, 3.74+/-0.02 days for VSB 111 and 5.71+/-0.07 days for VSB 126. Based on the vsini values, the primary rotation periods, and estimates for the primary radii, I find inclinations for the primary-star rotation axes, 42+47 -16° for VSB 111 and 54+36-29° for VSB 126, and compare these to the inclination angle of the binary orbits, iorb = 36+/-4° for VSB 111 and i orb = 45+/-4° for VSB 126, estimated from the orbital solutions. Both binaries are located in the young, star- forming cluster NGC 2264 with a complex and clumpy gas and dust structure at a distance of ~800 pc. The center-of-mass velocities of the two systems are consistent with distinct CO clouds within NGC 2264.

  10. Spectroscopic studies of microwave plasmas containing hexamethyldisiloxane

    NASA Astrophysics Data System (ADS)

    Nave, A. S. C.; Mitschker, F.; Awakowicz, P.; Röpcke, J.

    2016-10-01

    Low-pressure microwave discharges containing hexamethyldisiloxane (HMDSO) with admixtures of oxygen and nitrogen, used for the deposition of silicon containing films, have been studied spectroscopically. Optical emission spectroscopy (OES) in the visible spectral range has been combined with infrared laser absorption spectroscopy (IRLAS). The experiments were carried out in order to analyze the dependence of plasma chemical phenomena on power and gas mixture at relatively low pressures, up to 50 Pa, and power values, up to 2 kW. The evolution of the concentration of the methyl radical, CH3, and of seven stable molecules, HMDSO, CH4, C2H2, C2H4, C2H6, CO and CO2, was monitored in the plasma processes by in situ IRLAS using tunable lead salt diode lasers (TDL) and external-cavity quantum cascade lasers (EC-QCL) as radiation sources. To achieve reliable values for the gas temperature inside and outside the plasma bulk as well as for the temperature in the plasma hot and colder zones, which are of great importance for calculation of species concentrations, three different methods based on emission and absorption spectroscopy data of N2, CH3 and CO have been used. In this approach line profile analysis has been combined with spectral simulation methods. The concentrations of the various species, which were found to be in the range between 1011 to 1015 cm-3, are in the focus of interest. The influence of the discharge parameters power, pressure and gas mixture on the molecular concentrations has been studied. To achieve further insight into general plasma chemical aspects the dissociation of the HMDSO precursor gas including its fragmentation and conversion to the reaction products was analyzed in detail.

  11. Spectroscopic properties of holmium doped ? crystals

    NASA Astrophysics Data System (ADS)

    Dominiak-Dzik, G.; Golab, S.; Zawadzka, J.; Ryba-Romanowski, W.; Lukasiewicz, T.; Swirkowicz, M.

    1998-11-01

    The spectroscopic properties of 0953-8984/10/45/016/img11 ions in 0953-8984/10/45/016/img12 crystals have been investigated using optical absorption, luminescence and lifetime measurements in the 5-300 K temperature range. The low temperature, polarized absorption spectra of 0953-8984/10/45/016/img11 in this matrix have allowed us to identify the Stark levels of the different multiplets up to 30 000 0953-8984/10/45/016/img14. The results are consistent with 0953-8984/10/45/016/img15 symmetry for the rare-earth ions and a singlet A character for the lowest Stark level of the 0953-8984/10/45/016/img16 ground state. Several transitions show additional structure which indicates multi-site occupancy for the 0953-8984/10/45/016/img11 ions. The measured oscillator strengths of the transitions between the J manifolds at 300 K are compared with those derived from the Judd-Ofelt theory. The radiative transition rates and radiative lifetimes have been calculated. The luminescence observed at 5 K has been attributed to 0953-8984/10/45/016/img18 (18 100 0953-8984/10/45/016/img14), 0953-8984/10/45/016/img20 (15 060 0953-8984/10/45/016/img14) and 0953-8984/10/45/016/img22 (13 150 0953-8984/10/45/016/img14) transitions. The obtained data are used to discuss the radiative properties for luminescent levels of 0953-8984/10/45/016/img11 ions in the 0953-8984/10/45/016/img25 matrix. The emission cross-section of a potential laser line at 2 0953-8984/10/45/016/img26m connected with the 0953-8984/10/45/016/img27 transition is estimated.

  12. Critical insight into the interaction of naringenin with human haemoglobin: A combined spectroscopic and computational modeling approaches

    NASA Astrophysics Data System (ADS)

    Maity, Subhajit; Chakraborty, Sandipan; Chakraborti, Abhay Sankar

    2017-02-01

    The present study demonstrates critical insight into the binding of a bioactive flavanone naringenin with normal human haemoglobin (NHb). Both spectrophotometric and spectrofluorimetric studies reveal that naringenin interacts with NHb. The binding affinity constant and number of binding sites appear to be approximately (1.5 ± 0.2) × 104 M-1 and 1, respectively. Static quenching seems to be an important factor in binding process, as evident from steady-state and time-resolved fluorescence spectroscopic studies. Far UV circular dichroism spectroscopy depicts that binding of naringenin to NHb causes no change in the secondary structure of the protein, which is also evident from Fourier transform infrared spectroscopic study. Free energy change (ΔG0) for naringenin-NHb interaction, determined by spectroscopic and isothermal calorimetric method, appears to be -5.67 kcal/mol and -6.90 kcal/mol, respectively, and is close to the docking energy -6.84 kcal/mol. Molecular docking suggests that naringenin binds near the cavity of the tetrameric heme protein, forming hydrogen bonds with surrounding amino acid residues. The binding site is away from the heme moieties, implicating naringenin binding does not affect the oxygen binding capacity of NHb, which makes the protein a suitable carrier of the flavonoid.

  13. Iridium Ziegler-type hydrogenation catalysts made from [(1,5-COD)Ir(mu-O2C8H15)](2) and AlEt3: spectroscopic and kinetic evidence for the Ir(n) species present and for nanoparticles as the fastest catalyst.

    PubMed

    Alley, William M; Hamdemir, Isil K; Wang, Qi; Frenkel, Anatoly I; Li, Long; Yang, Judith C; Menard, Laurent D; Nuzzo, Ralph G; Ozkar, Saim; Johnson, Kimberly A; Finke, Richard G

    2010-09-06

    results from the different analytical methods; furthermore, (ii) the mean Ir(n) species are practically the same regardless of the Al/Ir ratio employed, suggesting that the observed changes in catalytic activity at different Al/Ir ratios are primarily the result of changes in the form or function of the Al-derived component (and not due to significant AlEt(3)-induced changes in initial Ir(n) nuclearity). However (iii), during hydrogenation, a shift in the population of Ir species toward roughly 1.0-1.6 nm, fcc Ir(0)(approximately 40-150), Ziegler nanoclusters occurs with, significantly, (iv) a concomitant increase in catalytic activity. Importantly, and although catalysis by discrete subnanometer Ir species is not ruled out by this study, (v) the increases in activity with increased nanocluster size, plus Hg(0) poisoning studies, provide the best evidence to date that the approximately 1.0-1.6 nm, fcc Ir(0)(approximately 40-150), heterogeneous Ziegler nanoclusters are the fastest catalysts in this industrially related catalytic hydrogenation system (and in the simplest, Ockham's Razor interpretation of the data). In addition, (vi) Ziegler nanoclusters are confirmed to be an unusual, hydrocarbon-soluble, highly coordinatively unsaturated, Lewis-acid containing, and highly catalytically active type of nanocluster for use in other catalytic applications and other areas.

  14. Iridium Ziegler-Type Hydrogenation Catalysts Made from [(1,5-COD)Ir( -O2C8H15)]2 and AlEt3: Spectroscopic and Kinetic Evidence for the Irn Species Present and for Nanoparticles as the Fastest Catalyst

    SciTech Connect

    Alley, W.; Hamdemir, I; Wang, Q; Frenkel, A; Li, L; Yang, J; Menard, L; Nuzzo, R; Ozkar, S; Finke, R

    2010-01-01

    considering the similar, but not identical results from the different analytical methods; furthermore, (ii) the mean Ir{sub n} species are practically the same regardless of the Al/Ir ratio employed, suggesting that the observed changes in catalytic activity at different Al/Ir ratios are primarily the result of changes in the form or function of the Al-derived component (and not due to significant AlEt{sub 3}-induced changes in initial Ir{sub n} nuclearity). However (iii), during hydrogenation, a shift in the population of Ir species toward roughly 1.0-1.6 nm, fcc Ir(0){sub {approx}40-150}, Ziegler nanoclusters occurs with, significantly, (iv) a concomitant increase in catalytic activity. Importantly, and although catalysis by discrete subnanometer Ir species is not ruled out by this study, (v) the increases in activity with increased nanocluster size, plus Hg(0) poisoning studies, provide the best evidence to date that the approximately 1.0-1.6 nm, fcc Ir(0){sub {approx}40-150}, heterogeneous Ziegler nanoclusters are the fastest catalysts in this industrially related catalytic hydrogenation system (and in the simplest, Ockham's Razor interpretation of the data). In addition, (vi) Ziegler nanoclusters are confirmed to be an unusual, hydrocarbon-soluble, highly coordinatively unsaturated, Lewis-acid containing, and highly catalytically active type of nanocluster for use in other catalytic applications and other areas.

  15. The pre-main sequence spectroscopic binary AK Scorpii revisited

    NASA Astrophysics Data System (ADS)

    Alencar, S. H. P.; Melo, C. H. F.; Dullemond, C. P.; Andersen, J.; Batalha, C.; Vaz, L. P. R.; Mathieu, R. D.

    2003-10-01

    We present an analysis of 32 high-resolution echelle spectra of the pre-main sequence spectroscopic binary AK Sco obtained during 1998 and 2000, as well as a total of 72 photoelectric radial-velocity observations from the period 1986-1994. These data allow considerable improvement of the period and other orbital parameters of AK Sco. Our analysis also includes eight series of photometric observations in the uvby and Geneva seven-color systems from 1987, 1989, 1990, 1992, 1994 and 1997. No eclipses or other periodic variations are seen in the photometry, but the well-determined HIPPARCOS parallax allows us to constrain the orbital inclination of the system to the range 65 degr < i < 70 degr, leading to the following physical parameters for the two near-identical stars: M =1.35 +/- 0.07 \\msun, R =1.59 +/- 0.35 \\rsun, and vsin i =18.5 +/- 1.0 \\kmsn. Disk models have been fit to the spectral energy distribution of AK Sco from 350 nm to 1100 mu m. The above stellar parameters permit a consistent solution with an inner rim temperature of 1250 K, instead of the usual 1500 K corresponding to the dust evaporation temperature. Dynamical effects due to tidal interaction of the binary system are supposed to be responsible for pushing the inner disk radius outwards. Combining simultaneous photometric and spectroscopic data sets allows us to compute the dust obscuration in front of each star at several points over the orbit. The results demonstrate the existence of substructure at scales of just a single stellar diameter, and also that one side of the orbit is more heavily obscured than the other. The spectrum of AK Sco exhibits emission and absorption lines that show substantial variety and variability in shape. The accretion-related lines may show both outflow and infall signatures. The system displays variations at the binary orbital period in both the photospheric and accretion-related line intensities and equivalent widths, although with appreciable scatter. The periodic

  16. Spectroscopic characterization of III-V semiconductor nanomaterials

    NASA Astrophysics Data System (ADS)

    Crankshaw, Shanna Marie

    III-V semiconductor materials form a broad basis for optoelectronic applications, including the broad basis of the telecom industry as well as smaller markets for high-mobility transistors. In a somewhat analogous manner as the traditional silicon logic industry has so heavily depended upon process manufacturing development, optoelectronics often relies instead on materials innovations. This thesis focuses particularly on III-V semiconductor nanomaterials, detailed characterization of which is invaluable for translating the exhibited behavior into useful applications. Specifically, the original research described in these thesis chapters is an investigation of semiconductors at a fundamental materials level, because the nanostructures in which they appear crystallize in quite atypical forms for the given semiconductors. Rather than restricting the experimental approaches to any one particular technique, many different types of optical spectroscopies are developed and applied where relevant to elucidate the connection between the crystalline structure and exhibited properties. In the first chapters, for example, a wurtzite crystalline form of the prototypical zincblende III-V binary semiconductor, GaAs, is explored through polarization-dependent Raman spectroscopy and temperature-dependent photoluminescence, as well as second-harmonic generation (SHG). The altered symmetry properties of the wurtzite crystalline structure are particularly evident in the Raman and SHG polarization dependences, all within a bulk material realm. A rather different but deeply elegant aspect of crystalline symmetry in GaAs is explored in a separate study on zincblende GaAs samples quantum-confined in one direction, i.e. quantum well structures, whose quantization direction corresponds to the (110) direction. The (110) orientation modifies the low-temperature electron spin relaxation mechanisms available compared to the usual (001) samples, leading to altered spin coherence times explored

  17. The Ultraviolet Spectroscopic Legacy of HST

    NASA Astrophysics Data System (ADS)

    Ayres, Thomas R.

    2016-01-01

    Hubble Space Telescope has been a spectacularly successful platform for spectroscopy in the diagnostic-rich far-ultraviolet (FUV: 120-170 nm) and near-ultraviolet (NUV: 170-310 nm) regions. HST has hosted four generations of UV instruments, beginning with Faint Object Spectrograph (FOS) and Goddard High-Resolution Spectrograph (GHRS) in the original 1990 payload, followed by Space Telescope Imaging Spectrograph (STIS) in 1997, and more recently Cosmic Origins Spectrograph (COS) as part of Servicing Mission 4 in 2009. The latter two instruments have contributed by far the lion's share of HST's spectroscopic archive: STIS, because of its longevity (thirteen years in operation so far, although with a hiatus between 2004-2009); and COS because of its high sensitivity, which allows efficient observations, and thus many more targets in a typical GO program. STIS benefits from a compact echelle design, and the sharp stable imaging of HST, to provide high-resolution (3-7 km s-1) spectra of bright objects, including stars, nebulae, quasars, novae, and so forth. COS achieves astounding sensitivity in the FUV by a sophisticated design that compensates for the spherical abberation of HST's primary mirror, disperses the target's light, and focuses the spectral image all with just a single optical element. While the spectral resolution of COS (about 18 km s-1) is not as high as that of STIS, it is adequate for diverse investigations, including faint broad-lined AGN at the edge of the Universe, hot stars in nearby galaxies, and magnetically active planet-hosting red dwarfs in the solar neighborhood. Thanks in part to the "UV Initiative" in recent HST proposal cycles, there have been several large efforts involving both STIS and COS, to assemble important spectral collections, including full UV atlases of representative hot and cool stars at high resolution with STIS; long time series of archetype AGN ("reverberation mapping") with COS; and hundreds of sightlines to distant

  18. Rapid Flow Analysis Studies with Spectroscopic Detectors.

    NASA Astrophysics Data System (ADS)

    Thalib, Amlius

    A rapid flow analysis study based on segmented flow and flow injection principles is described in this thesis. The main objective of this study was to establish the response characteristics in continuous flow analysis systems in order to improve sampling rates with several types of spectroscopic detectors. It was found from flame photometric studies that non-segmented flowing streams are applicable to rapid flow analysis with automatic sample aspiration. Calcium was used as a typical example and determined at sampling rates up to 360 h('-1) with a detection limit of 0.05 mg L(' -1). A rapid flow system is reported using direct aspiration for AAS analysis with both manual injection and automatic aspiration techniques, and found to give sampling rates of up to 600-720 samples h('-1). Speed of analysis was reduced by about 50% when using an external peristaltic pump in the flow system design, due to increased sample dispersion. A novel aspect of a rapid flow injection approach reported with ICPAES detection includes the method of injecting samples via a peristaltic pump with simultaneous computer data processing. Determination of serum cations (Na, K, Ca, Mg and Fe) was demonstrated as an example of an application of the technique at sampling rates of 240 h('-1). Precision and detection limits for 13 elements in a single standard solution are reported. The use of automated aspiration sampling is also reported in this method for comparison. Further studies on flow characteristics were carried out by a combination of the rapid flow system with very short sampling times as low as 2 seconds using UV-visible spectrophotometric detection. Analysis of human blood serum samples was used as an example where total protein and inorganic phosphate were determined at sampling rates of 240 h('-1) and 360 h('-1) respectively. The novel aspects of the results from these studies include the very rapid sample throughput developed with simple and inexpensive experimental approaches in

  19. The Distance to the Massive Galactic Cluster Westerlund 2 from a Spectroscopic and HST Photometric Study

    NASA Astrophysics Data System (ADS)

    Vargas Álvarez, Carlos A.; Kobulnicky, Henry A.; Bradley, David R.; Kannappan, Sheila J.; Norris, Mark A.; Cool, Richard J.; Miller, Brendan P.

    2013-05-01

    We present a spectroscopic and photometric determination of the distance to the young Galactic open cluster Westerlund 2 using WFPC2 imaging from the Hubble Space Telescope (HST) and ground-based optical spectroscopy. HST imaging in the F336W, F439W, F555W, and F814W filters resolved many sources previously undetected in ground-based observations and yielded photometry for 1136 stars. We identified 15 new O-type stars, along with two probable binary systems, including MSP 188 (O3 + O5.5). We fit reddened spectral energy distributions based on the Padova isochrones to the photometric data to determine individual reddening parameters RV and AV for O-type stars in Wd2. We find average values langRV rang = 3.77 ± 0.09 and langAV rang = 6.51 ± 0.38 mag, which result in a smaller distance than most other spectroscopic and photometric studies. After a statistical distance correction accounting for close unresolved binaries (factor of 1.08), our spectroscopic and photometric data on 29 O-type stars yield that Westerlund 2 has a distance langdrang = 4.16 ± 0.07 (random) +0.26 (systematic) kpc. The cluster's age remains poorly constrained, with an upper limit of 3 Myr. Finally, we report evidence of a faint mid-IR polycyclic aromatic hydrocarbon ring surrounding the well-known binary candidate MSP 18, which appears to lie at the center of a secondary stellar grouping within Westerlund 2. Based on observations obtained at the Southern Astrophysical Research (SOAR) telescope, which is a joint project of the Ministério da Ciência, Tecnologia, e Inovação (MCTI) da República Federativa do Brasil, the U.S. National Optical Astronomy Observatory (NOAO), the University of North Carolina at Chapel Hill (UNC), and Michigan State University (MSU).

  20. THE DISTANCE TO THE MASSIVE GALACTIC CLUSTER WESTERLUND 2 FROM A SPECTROSCOPIC AND HST PHOTOMETRIC STUDY

    SciTech Connect

    Vargas Alvarez, Carlos A.; Kobulnicky, Henry A.; Bradley, David R.; Kannappan, Sheila J.; Norris, Mark A.; Cool, Richard J.; Miller, Brendan P. E-mail: chipk@uwyo.edu E-mail: sheila@physics.unc.edu E-mail: rcool@obs.carnegiescience.edu

    2013-05-15

    We present a spectroscopic and photometric determination of the distance to the young Galactic open cluster Westerlund 2 using WFPC2 imaging from the Hubble Space Telescope (HST) and ground-based optical spectroscopy. HST imaging in the F336W, F439W, F555W, and F814W filters resolved many sources previously undetected in ground-based observations and yielded photometry for 1136 stars. We identified 15 new O-type stars, along with two probable binary systems, including MSP 188 (O3 + O5.5). We fit reddened spectral energy distributions based on the Padova isochrones to the photometric data to determine individual reddening parameters R{sub V} and A{sub V} for O-type stars in Wd2. We find average values (R{sub V} ) = 3.77 {+-} 0.09 and (A{sub V} ) = 6.51 {+-} 0.38 mag, which result in a smaller distance than most other spectroscopic and photometric studies. After a statistical distance correction accounting for close unresolved binaries (factor of 1.08), our spectroscopic and photometric data on 29 O-type stars yield that Westerlund 2 has a distance (d) = 4.16 {+-} 0.07 (random) +0.26 (systematic) kpc. The cluster's age remains poorly constrained, with an upper limit of 3 Myr. Finally, we report evidence of a faint mid-IR polycyclic aromatic hydrocarbon ring surrounding the well-known binary candidate MSP 18, which appears to lie at the center of a secondary stellar grouping within Westerlund 2.

  1. Interpreting Evidence.

    ERIC Educational Resources Information Center

    Munsart, Craig A.

    1993-01-01

    Presents an activity that allows students to experience the type of discovery process that paleontologists necessarily followed during the early dinosaur explorations. Students are read parts of a story taken from the "American Journal of Science" and interpret the evidence leading to the discovery of Triceratops and Stegosaurus. (PR)

  2. Interpreting Evidence.

    ERIC Educational Resources Information Center

    Munsart, Craig A.

    1993-01-01

    Presents an activity that allows students to experience the type of discovery process that paleontologists necessarily followed during the early dinosaur explorations. Students are read parts of a story taken from the "American Journal of Science" and interpret the evidence leading to the discovery of Triceratops and Stegosaurus. (PR)

  3. Integrated Spectroscopic Studies of Hydrous Sulfate Minerals

    NASA Technical Reports Server (NTRS)

    Dyar, M. D.; Lane, M. D.; Bishop, J. L.; OConnor, V.; Cloutis, E.; Hiroi, T.

    2005-01-01

    Sulfate minerals have been identified in Martian meteorites and on Mars using a suite of instruments aboard the MER rovers. These results have confirmed previous groundbased observations and orbital measurements that suggested their presence. The orbiting OMEGA instrument on Mars Express is also finding evidence for sulfate. In order to better interpret remote-sensing data, we present here the results of a coordinated visible/near infrared (VNIR) reflectance, Moussbauer (MB), and thermal emittance study of wellcharacterized hydrous sulfate minerals.

  4. Passive Spectroscopic Diagnostics for Magnetically-confined Fusion Plasmas

    SciTech Connect

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

    2007-07-18

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

  5. Spectroscopic Orbits for 15 Late-type Stars

    NASA Astrophysics Data System (ADS)

    Willmarth, Daryl W.; Fekel, Francis C.; Abt, Helmut A.; Pourbaix, Dimitri

    2016-08-01

    Spectroscopic orbital elements are determined for 15 stars with periods from 8 to 6528 days with six orbits computed for the first time. Improved astrometric orbits are computed for two stars and one new orbit is derived. Visual orbits were previously determined for four stars, four stars are members of multiple systems, and five stars have Hipparcos “G” designations or have been resolved by speckle interferometry. For the nine binaries with previous spectroscopic orbits, we determine improved or comparable elements. For HD 28271 and HD 200790, our spectroscopic results support the conclusions of previous authors that the large values of their mass functions and lack of detectable secondary spectrum argue for the secondary in each case being a pair of low-mass dwarfs. The orbits given here may be useful in combination with future interferometric and Gaia satellite observations.

  6. Spectroscopic Fingerprint of Phase-Incoherent Superconductivity in the Underdoped Bi2Sr2CaCu2O8+δ

    SciTech Connect

    Lee, J.; Davis, J.; Fujita, K.; Schmidt, A.R.; Kim, C.K.; Eisaki, H.; Uchida, S.

    2009-08-28

    A possible explanation for the existence of the cuprate 'pseudogap' state is that it is a d-wave superconductor without quantum phase rigidity. Transport and thermodynamic studies provide compelling evidence that supports this proposal, but few spectroscopic explorations of it have been made. One spectroscopic signature of d-wave superconductivity is the particle-hole symmetric 'octet' of dispersive Bogoliubov quasiparticle interference modulations. Here we report on this octet's evolution from low temperatures to well into the underdoped pseudogap regime. No pronounced changes occur in the octet phenomenology at the superconductor's critical temperature T{sub c}, and it survives up to at least temperature T {approx} 1.5 T{sub c}. In this pseudogap regime, we observe the detailed phenomenology that was theoretically predicted for quasiparticle interference in a phase-incoherent d-wave superconductor. Thus, our results not only provide spectroscopic evidence to confirm and extend the transport and thermodynamics studies, but they also open the way for spectroscopic explorations of phase fluctuation rates, their effects on the Fermi arc, and the fundamental source of the phase fluctuations that suppress superconductivity in underdoped cuprates.

  7. Near-IR spectroscopic imaging for skin hydration: the long and the short of it.

    PubMed

    Attas, E Michael; Sowa, Michael G; Posthumus, Trevor B; Schattka, Bernhard J; Mantsch, Henry H; Zhang, Shuliang L

    2002-01-01

    Near-IR spectroscopic methods have been developed to determine the degree of hydration of human skin in vivo. Noncontact reflectance spectroscopic imaging was used to investigate the distribution of skin moisture as a function of location. A human study in a clinical setting has generated quantitative data showing the effects of a drying agent and a moisturizer on delineated regions of the forearms of eight volunteers. Two digital imaging systems equipped with liquid-crystal tunable filters were used to collect stacks of monochromatic images at 10-nm intervals over the 650-1050 and 960-1700 nm wavelength bands. Synthetic images generated from measurements of water absorption band areas at three different near-IR wavelengths (970, 1200, and 1450 nm) showed obvious differences in the apparent distribution of water in the skin. Changes resulting from the skin treatments were much more evident in the long-wavelength images than in the short-wavelength ones. The variable sensitivity of the method at different wavelengths has been interpreted as being the result of different penetration depths of the IR light used in the reflectance studies.

  8. Biochemical and spectroscopic characterization of the blue-green photoreceptor in Halobacterium halobium

    SciTech Connect

    Scherrer, P.; McGinnis, K.; Bogomolni, R.A.

    1987-01-01

    Spectroscopic evidence indicates the presence of a second sensory receptor sR-II in Halobacterium halobium, which causes a repellent response to blue-green light. Reactions with hydroxylamine and NaCNBH/sub 3/ and reconstitution of the bleached pigment with retinal show that it is very similar to the other retinylidene pigments bacteriorhodopsin, halorhodopsin, and especially the earlier-discovered phototaxis receptor, sensory rhodopsin, renamed sR-I587. The second sensory receptor, sR-II480, has an absorbance maximum at 480 nm and undergoes a cyclic photoreaction with a half-time of approximately 200 msec. Its predominant photocycle intermediate absorbs maximally near 360 nm. The receptor can be detected spectroscopically in the presence of sR-I587 and quantitated through its transient response to 450-nm excitation. It is selectively bleached by low hydroxylamine concentrations that are insufficient to bleach sR-I587 significantly. Its photochemical and phototactic activities can be restored by addition of retinal. The mobility of the receptor, on NaDodSO4/polyacrylamide gels, was similar or identical to that of sR-I587 and slightly faster than bacteriorhodopsin, yielding an apparent molecular mass of 23-24 kDa.

  9. Spectroscopic Investigation of Lignin Linkages: UV and IR Signatures of Primary Dilignols

    NASA Astrophysics Data System (ADS)

    Dean, Jacob C.; Walsh, Patrick S.; Gord, Joseph R.; Biswas, Bidyut; Ramachandran, P. V.; Zwier, Timothy S.

    2012-06-01

    Lignin is an abundant, aromatic biopolymer ubiquitous to all plant matter; its properties are vital to the structural rigidity of plants as well as protection of the cell wall from degradation. As the major structural framework for plants, the breakdown of lignin for harvestable biomass is a formidable challenge. At a fundamental level, the characterization of lignin sequences and structures lag far behind those of proteins. One of the unique aspects of lignin is that it is composed of only three monolignols which are themselves structurally similar, all of which are aromatic derivatives. The structural complexity of lignin is in large measure due to the unique variety of chemical linkages between these three sub-units. As a result, there is a need for spectroscopic characterization of individual lignin linkages, and for elucidating potential fragmentation pathways and the relative energetics associated with those linkages in the polymer network. In this light, spectroscopic interrogation of these dilignol bichromophores yield signatures characteristic of their specific linkages which can also be found in high-order lignin oligomers. The β-O-4 and β-β linkages have been studied and their UV and IR signatures have been uncovered on a single-conformation basis in a supersonic expansion by use of IR/UV-UV HB and RIDIR spectroscopy. Fragmentation following resonant two-photon ionization of the neutral species was also explored and evidence for linkage-specific fragmentation has been revealed.

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

    SciTech Connect

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

    2015-12-01

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

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

    SciTech Connect

    Allers, K. N.; Liu, Michael C.

    2013-08-01

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

  12. Unravel the interaction of protoporphyrin IX with reduced graphene oxide by vital spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Jhonsi, Mariadoss Asha; Nithya, Chandrasekaran; Kathiravan, Arunkumar

    2017-05-01

    Probing interaction between dyes and reduced graphene oxide (rGO) is of contemporary research interest. Since, rGO is widely used as electron acceptor in photovoltaic and optoelectronic devices. Hence, we have investigated the interaction between protoporphyrin IX (PPIX) and rGO by vital spectroscopic techniques. The adsorption of PPIX on rGO is studied by Attenuated total reflection-Fourier transform infrared (ATR-FTIR) and X-ray photoelectron spectroscopic (XPS) measurements. The fluorescence quenching measurements are also performed and the fluorescence intensity of PPIX is quenched by rGO. The quenching of PPIX with rGO is evaluated by the Stern-Volmer equation and time-resolved fluorescence lifetime studies. The results revealed that the fluorescence quenching of PPIX with rGO is due to the static quenching mechanism. The dominant process for this quenching has been attributed to the process of electron transfer from excited state PPIX to rGO. Fluorescence lifetime measurements were used to calculate the rate of electron transfer process between excited state of PPIX and rGO. Transient absorption studies demonstrated the formation of PPIX cation radical for the evidence of electron transfer between PPIX and rGO.

  13. Spectroscopic Studies of Double Beta Decays and MOON

    NASA Astrophysics Data System (ADS)

    Ejiri, H.

    2007-10-01

    This is a brief review of future spectroscopic experiments of neutrino-less double beta decays (0νββ) and the MOON (Mo Observatory Of Neutrinos) project. Spectroscopic 0νββ experiments of MOON, SuperNEMO and DCBA are planned to study Majorana masses in the quasi-degenerate (QD) and inverted mass hierarchy (IH) regions. MOON aims at 0νββ studies with the ν-mass sensitivities of 100-30 meV by means of a super ensemble of multi-layer modules, each being consist of a scintillator plate, two tracking detector planes and a thin ββ source film.

  14. About the problems to interpret spectroscopic data from plasmas

    NASA Astrophysics Data System (ADS)

    Rosmej, F. B.; Guedda, E. H.; Lisitsa, V. S.; Capes, H.; Stamm, R.

    2006-01-01

    Continued developments of quantitative spectroscopy and related atomic physics are originating from inertial and magnetic fusion research. In almost all experimental facilities, non-equilibrium phenomena are now a central issue and the interpretation of related spectroscopic data is a great challenge. We discuss new general diagnostic/spectroscopic approaches and usual point of views: high density methods and high density atomic physics for magnetic fusion research like ITER and the Virtual Contour Shape Kinetic Theory VCSKT which unifies low and high density plasma regimes and therefore allows to employ complex satellite transitions in non-equilibrium, non-LTE and non-Coronal plasmas.

  15. Speckle observations of visual and spectroscopic binaries. IV

    NASA Astrophysics Data System (ADS)

    Miura, Noriaki; Baba, Naoshi; Ni-Ino, Mikinori; Ohtsubo, Junji; Noguchi, Motokazu; Isobe, Syuzo

    This is the fourth paper of this series giving results of speckle observations for 22 visual and 161 spectroscopic binaries. The observation was carried out by using the 212 cm telescope of San Pedro Martir Observatory in Mexico on 7 nights from July 20 to July 26, 1991. We obtained fringes in power spectra of 19 visual and 11 spectroscopic binaries (6 newly resolved ones) with angular separation larger than 0.06 arcsec. We introduced a new ICCD TV camera in this observation, and were able to achieve the diffraction-limit resolution of the 212 cm telescope.

  16. Spectroscopic constants and potential energy curves for TaH

    NASA Astrophysics Data System (ADS)

    Cheng, W.; Balasubramanian, K.

    1991-09-01

    Spectroscopic constants and potential energy curves of 21 electronic states of the diatomic TaH are computed using complete active space multiconfiguration self-consistent field (CASSCF) followed by second-order configuration interaction (SOCI) calculations. In addition spin-orbit effects were included using the relativistic configuration interaction method (RCI). The ground state of TaH was found to be a 0 + state, which is a mixture of 5Δ(0 +), 5Π(0 +), 3Σ -(0 +), and 3Π(0 +). The spin-orbit effects were found to be significant for TaH. Several spectroscopic transitions are predicted for TaH none of which is observed.

  17. 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

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

    SciTech Connect

    Czerwinski, Kenneth; Weck, Phil

    2013-09-13

    UV-Visible spectroscopy studies. The use of TRLFS to examine Cm and U will provide data to evaluate lifetime, peak location, and peak ratios (mainly for U). The bases for the spectroscopic techniques have been investigated, providing fundamental evidence for the application’s utility.

  19. Nuclear Magnetic Resonance (NMR) Spectroscopic Characterization of Nanomaterials and Biopolymers

    NASA Astrophysics Data System (ADS)

    Guo, Chengchen

    Nanomaterials have attracted considerable attention in recent research due to their wide applications in various fields such as material science, physical science, electrical engineering, and biomedical engineering. Researchers have developed many methods for synthesizing different types of nanostructures and have further applied them in various applications. However, in many cases, a molecular level understanding of nanoparticles and their associated surface chemistry is lacking investigation. Understanding the surface chemistry of nanomaterials is of great significance for obtaining a better understanding of the properties and functions of the nanomaterials. Nuclear magnetic resonance (NMR) spectroscopy can provide a familiar means of looking at the molecular structure of molecules bound to surfaces of nanomaterials as well as a method to determine the size of nanoparticles in solution. Here, a combination of NMR spectroscopic techniques including one- and two-dimensional NMR spectroscopies was used to investigate the surface chemistry and physical properties of some common nanomaterials, including for example, thiol-protected gold nanostructures and biomolecule-capped silica nanoparticles. Silk is a natural protein fiber that features unique properties such as excellent mechanical properties, biocompatibility, and non-linear optical properties. These appealing physical properties originate from the silk structure, and therefore, the structural analysis of silk is of great importance for revealing the mystery of these impressive properties and developing novel silk-based biomaterials as well. Here, solid-state NMR spectroscopy was used to elucidate the secondary structure of silk proteins in N. clavipes spider dragline silk and B. mori silkworm silk. It is found that the Gly-Gly-X (X=Leu, Tyr, Gln) motif in spider dragline silk is not in a beta-sheet or alpha-helix structure and is very likely to be present in a disordered structure with evidence for 31-helix

  20. Spectroscopic Evidence of the Aharonov-Casher Effect in a Cooper Pair Box.

    PubMed

    Bell, M T; Zhang, W; Ioffe, L B; Gershenson, M E

    2016-03-11

    We observe the effect of the Aharonov-Casher (AC) interference on the spectrum of a superconducting system containing a symmetric Cooper pair box (CPB) and a large inductance. By varying the charge n_{g} induced on the CPB island, we observe oscillations of the device spectrum with the period Δn_{g}=2e. These oscillations are attributed to the charge-controlled AC interference between the fluxon tunneling processes in the CPB Josephson junctions. The measured phase and charge dependences of the frequencies of the |0⟩→|1⟩ and |0⟩→|2⟩ transitions are in good agreement with our numerical simulations. Almost complete suppression of the single fluxon tunneling due to destructive interference is observed for the charge n_{g}=e(2n+1). The CPB in this regime enables fluxon pairing, which can be used for the development of parity-protected superconducting qubits.

  1. Spectroscopic Evidence of the Aharonov-Casher Effect in a Cooper Pair Box

    NASA Astrophysics Data System (ADS)

    Bell, M. T.; Zhang, W.; Ioffe, L. B.; Gershenson, M. E.

    2016-03-01

    We observe the effect of the Aharonov-Casher (AC) interference on the spectrum of a superconducting system containing a symmetric Cooper pair box (CPB) and a large inductance. By varying the charge ng induced on the CPB island, we observe oscillations of the device spectrum with the period Δ ng=2 e . These oscillations are attributed to the charge-controlled AC interference between the fluxon tunneling processes in the CPB Josephson junctions. The measured phase and charge dependences of the frequencies of the |0 ⟩→|1 ⟩ and |0 ⟩→|2 ⟩ transitions are in good agreement with our numerical simulations. Almost complete suppression of the single fluxon tunneling due to destructive interference is observed for the charge ng=e (2 n +1 ). The CPB in this regime enables fluxon pairing, which can be used for the development of parity-protected superconducting qubits.

  2. Evidence of two structurally related solvatochromic probes complexed with β-cyclodextrin by using spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Ghosh, Sujay; Mitra, Amrit Krishna; Pal, Uttam; Basu, Samita; Saha, Chandan

    2017-02-01

    Interaction of two solvatochromic fluorescent 1-keto-1,2,3,4-tetrahydrocabazole (KTHC) derivatives, viz. 6,7-dimethoxy-2,3,4,9-tetrahydrocarbazol-1-one (KTHC-67) and its carboxylic acid derivative 2-[(2-methoxy-8-oxo-5,6,7,9-tetrahydrocarbazol-3-yl)oxy]acetic acid (MOTHCA), with β-cyclodextrin in aqueous solution has been investigated through steady-state absorption, emission and time-resolved emission spectroscopy. Each probe forms inclusion complex with β-cyclodextrin, and thus their absorption spectrum quenches with the formation of an isosbestic point, fluorescence spectrum enhances in intensity with hypsochromically shifted maximum, and a new fluorescence decay component develops and increases in lifetime. The photophysical properties of these two probes are found to follow similar trends, although the carboxylic acid substitution in MOTHCA affects the binding interaction slightly in comparison with KTHC-67. The feasibilities of the formation of inclusion complexes have been computed using molecular docking, and the results satisfactorily explain the experimental findings.

  3. Spectroscopic evidence of β-turn in N-glycated peptidomimetics related to leucine-enkephalin

    NASA Astrophysics Data System (ADS)

    Vass, E.; Hollósi, M.; Kveder, M.; Kojić-Prodić, B.; Čudić, M.; Horvat, Š.

    2000-11-01

    The conformational differences caused by N-glycation of the amide bond in endogenous opioid pentapeptide leucine-enkephalin (Tyr-Gly-Gly-Phe-Leu) have been explored in solution using FTIR spectroscopy, NMR and molecular modelling. The compounds studied include protected and unprotected enkephalin analogues N-alkylated at the second (Gly 2) amino acid residue with a 6-deoxy- D-galactose moiety ( 1- 3). Comparison of the amide I component bands in the FTIR spectra, measured in trifluoroethanol (TFE), CHCl 3 and DMSO, revealed significant differences in the intensity as well as shifts in component band frequencies for glycopeptides 1- 3. We found that only the FTIR spectrum of the fully protected compound 1 indicated the presence of a higher population of β-turns, while the spectra of the partially protected and unprotected glycopeptides 2 and 3 reflected the dominance of unordered or open structures, with some low population of turns. The observed NOE connectivities in CDCl 3 for both isomers of the fully protected compound 1, the all-trans one and another with Tyr 1-Gly 2 peptide bond in cis conformation, indicate the presence of a β-like turn conformation. Molecular dynamics simulations of the glycopeptide 1 obtained by unconstrained energy minimization of trans- and cis- 1 shows that one of trans form conformations is consistent with β-turn whereas cis isomer has revealed less-compact turn.

  4. Spectroscopic evidence for origins of size and support effects on selectivity of Cu nanoparticle dehydrogenation catalysts

    SciTech Connect

    Witzke, M. E.; Dietrich, P. J.; Ibrahim, M. Y. S.; Al-Bardan, K.; Triezenberg, M. D.; Flaherty, D. W.

    2016-12-12

    Selective dehydrogenation catalysts that produce acetaldehyde from bio-derived ethanol can increase the efficiency of subsequent processes such as C–C coupling over metal oxides to produce 1-butanol or 1,3-butadiene or oxidation to acetic acid. Here, we use in situ X-ray absorption spectroscopy and steady state kinetics experiments to identify Cuδ+ at the perimeter of supported Cu clusters as the active site for esterification and Cu0 surface sites as sites for dehydrogenation. Correlation of dehydrogenation and esterification selectivities to in situ measures of Cu oxidation states show that this relationship holds for Cu clusters over a wide-range of diameters (2–35 nm) and catalyst supports and reveals that dehydrogenation selectivities may be controlled by manipulating either.

  5. Spectroscopic evidence for a type II Weyl semimetallic state in MoTe2

    SciTech Connect

    Huang, Lunan; McCormick, Timothy M.; Ochi, Masayuki; Zhao, Zhiying; Suzuki, Michi -To; Arita, Ryotaro; Wu, Yun; Mou, Daixiang; Cao, Huibo; Yan, Jiaqiang; Trivedi, Nandini; Kaminski, Adam

    2016-07-11

    In a type I Dirac or Weyl semimetal, the low-energy states are squeezed to a single point in momentum space when the chemical potential μ is tuned precisely to the Dirac/Weyl point. Recently, a type II Weyl semimetal was predicted to exist, where the Weyl states connect hole and electron bands, separated by an indirect gap. This leads to unusual energy states, where hole and electron pockets touch at the Weyl point. Here we present the discovery of a type II topological Weyl semimetal state in pure MoTe2, where two sets of Weyl points (W±2 , W±3) exist at the touching points of electron and hole pockets and are located at different binding energies above EF. Using angle-resolved photoemission spectroscopy, modelling, density functional theory and calculations of Berry curvature, we identify the Weyl points and demonstrate that they are connected by different sets of Fermi arcs for each of the two surface terminations. We also find new surface ‘track states’ that form closed loops and are unique to type II Weyl semimetals. Lastly, this material provides an exciting, new platform to study the properties of Weyl fermions.

  6. SPECTROSCOPIC EVIDENCE FOR A TEMPERATURE INVERSION IN THE DAYSIDE ATMOSPHERE OF HOT JUPITER WASP-33b

    SciTech Connect

    Haynes, Korey; Mandell, Avi M.; Madhusudhan, Nikku; Deming, Drake; Knutson, Heather

    2015-06-20

    We present observations of two occultations of the extrasolar planet WASP-33b using the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope, which allow us to constrain the temperature structure and composition of its dayside atmosphere. WASP-33b is the most highly irradiated hot Jupiter discovered to date, and the only exoplanet known to orbit a δ-Scuti star. We observed in spatial scan mode to decrease instrument systematic effects in the data, and removed fluctuations in the data due to stellar pulsations. The rms for our final, binned spectrum is 1.05 times the photon noise. We compare our final spectrum, along with previously published photometric data, to atmospheric models of WASP-33b spanning a wide range in temperature profiles and chemical compositions. We find that the data require models with an oxygen-rich chemical composition and a temperature profile that increases at high altitude. We find that our measured spectrum displays an excess in the measured flux toward short wavelengths that is best explained as emission from TiO. If confirmed by additional measurements at shorter wavelengths, this planet would become the first hot Jupiter with a thermal inversion that can be definitively attributed to the presence of TiO in its dayside atmosphere.

  7. Photometric and spectroscopic evidence for a dense ring system around Centaur Chariklo

    NASA Astrophysics Data System (ADS)

    Duffard, R.; Pinilla-Alonso, N.; Ortiz, J. L.; Alvarez-Candal, A.; Sicardy, B.; Santos-Sanz, P.; Morales, N.; Colazo, C.; Fernández-Valenzuela, E.; Braga-Ribas, F.

    2014-08-01

    Context. A stellar occultation observed on 3rd June 2013 revealed the presence of two dense and narrow rings separated by a small gap around the Centaur object (10 199) Chariklo. The composition of these rings is not known. We suspect that water ice is present in the rings, as is the case for Saturn and other rings around the giant planets. Aims: In this work, we aim to determine if the variability in the absolute magnitude of Chariklo and the temporal variation of the spectral ice feature, even when it disappeared in 2007, can be explained by an icy ring system whose aspect angle changes with time. Methods: We explained the variations on the absolute magnitude of Chariklo and its ring by modeling the light reflected by a system as the one described above. Using X-shooter at VLT, we obtained a new reflectance spectra. We compared this new set of data with the ones available in the literature. We showed how the water ice feature is visible in 2013 in accordance with the ring configuration, which had an opening angle of nearly 34° in 2013. Finally, we also used models of light scattering to fit the visible and near-infrared spectra that shows different characteristics to obtain information on the composition of Chariklo and its rings. Results: We showed that absolute photometry of Chariklo from the literature and new photometric data that we obtained in 2013 can be explained by a ring of particles whose opening angle changes as a function of time. We used the two possible pole solutions for the ring system and found that only one of them, α = 151.30 ± 0.5, δ = 41.48 ± 0.2° (λ = 137.9 ± 0.5, β = 27.7 ± 0.2°), provides the right variation of the aspect angle with time to explain the photometry, whereas the other possible pole solution fails to explain the photometry. From spectral modeling, we derived the composition of the Chariklo surface and that of the rings using the result on the pole solution. Chariklo surface is composed with about 60% of amorphous carbon, 30% of silicates and 10% of organics; no water ice was found on the surface. The ring, on the other hand, contains 20% of water ice, 40-70% of silicates, and 10-30% of tholins and small quantities of amorphous carbon. Partially based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere, Chile. DDT 291.C-5035(A). Based on observations carried out at the Complejo Astronómico El Leoncito, which is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba, and San Juan.

  8. Spectroscopic Evidence of Keto-enol Tautomerism in Deliquesced Malonic Acid Particles

    SciTech Connect

    Ghorai, Suman; Laskin, Alexander; Tivanski, Alexei V.

    2011-04-11

    Scanning Transmission X-ray Microscopy combined with Near Edge X-ray Absorption Fine Structure Spectroscopy (STXM/NEXAFS), and optical microscopy coupled with Fourier Transform Infrared Spectroscopy (micro-FTIR) have been applied to observe hygroscopic growth and chemical changes in malonic acid particles deposited on substrates. Extent of the hygroscopic growth of particles has been quantified in terms of the corresponding water-to-solute ratios (WSR) based on STXM/NEXAFS and micro-FTIR data sets. WSR values derived separately from two applied methods displayed a remarkable agreement with previous data reported in the literature. Comparison of NEXAFS and FTIR spectra acquired at different relative humidity (RH) shows efficient keto-enol tautomerization of malonic acid, with the enol form dominated at higher RH. The keto-enol equilibrium constants were calculated using relevant peak intensities in the carbon and oxygen K-edge NEXAFS spectra as a function of RH.

  9. A different mechanism for the reductive dechlorination of chlorinated ethenes: Kinetic and spectroscopic evidence

    SciTech Connect

    Lesage, S.; Brown, S.; Millar, K.

    1998-08-01

    Reductive dechlorination is the most common reaction in the remediation of groundwater and soils contaminated with chlorinated compounds. The reaction that occurs in anaerobic bacteria can also be catalyzed by vitamin B12 and titanium citrate. Reductive dechlorination without the release of chlorinated ethene intermediates from the chloroalkylcobalamin complexes is proposed as an alternate reaction pathway for the reductive dechlorination of chlorinated ethenes. The revised scheme is supported by (a) the identification of several chloroalkylcobalamin intermediates by direct liquid injection of the reaction mixtures into an electrospray mass spectrometer, (b) the simultaneous presence of all the dechlorination intermediates in the mixtures, and (c) gas chromatographic data showing rapid formation of ethene and acetylene in the presence of a large excess of the primary substrates. Homolytic cleavage and titanium-catalyzed elimination are presented as competing mechanisms for the formation of the products from the alkylcobalamin intermediates. The distribution of dechlorination products was dependent on the availability of titanium from different chelating agents. This means that it may be possible to favor the formation of the fully dechlorinated products and to reduce the release of undesirable intermediates such as vinyl chloride by adjusting the amount and type of titanium chelate used.

  10. Spectroscopic evidence for uranium bearing precipitates in vadose zone sediments at the Hanford 300-area site

    USGS Publications Warehouse

    Arai, Y.; Marcus, M.A.; Tamura, N.; Davis, J.A.; Zachara, J.M.

    2007-01-01

    Uranium (U) solid-state speciation in vadose zone sediments collected beneath the former North Process Pond (NPP) in the 300 Area of the Hanford site (Washington) was investigated using multi-scale techniques. In 30 day batch experiments, only a small fraction of total U (???7.4%) was released to artificial groundwater solutions equilibrated with 1% pCO2. Synchrotron-based micro-X-ray fluorescence spectroscopy analyses showed that U was distributed among at least two types of species: (i) U discrete grains associated with Cu and (ii) areas with intermediate U concentrations on grains and grain coatings. Metatorbernite (Cu[UO2]2[PO 4]2??8H2O) and uranophane (Ca[UO 2]2[SiO3(OH)]2?? 5H 2O) at some U discrete grains, and muscovite at U intermediate concentration areas, were identified in synchrotron-based micro-X-ray diffraction. Scanning electron microscopy/energy dispersive X-ray analyses revealed 8-10 ??m size metatorbernite particles that were embedded in C-, Al-, and Si-rich coatings on quartz and albite grains. In ??- and bulk-X-ray absorption structure (??-XAS and XAS) spectroscopy analyses, the structure of metatorbernite with additional U-C and U-U coordination environments was consistently observed at U discrete grains with high U concentrations. The consistency of the ??- and bulk-XAS analyses suggests that metatorbernite may comprise a significant fraction of the total U in the sample. The entrapped, micrometer-sized metatorbernite particles in C-, Al-, and Si-rich coatings, along with the more soluble precipitated uranyl carbonates and uranophane, likely control the long-term release of U to water associated with the vadose zone sediments. ?? 2007 American Chemical Society.

  11. Spectroscopic Evidence of Anthropogenic Compounds Extraction from Polymers by Fluorescent Dissolved Organic Matter in Natural Water

    NASA Astrophysics Data System (ADS)

    Miranda, M.; Trojzuck, A.; Voss, D.; Gassmann, S.; Zielinski, O.

    2016-04-01

    FDOM is one of the most important carriers of anthropogenic compounds in natural waters. It can combine with environmental contaminants and polymers to form diverse chemical structures. To this end, here a microfluidic chip was designed for the analysis of these changes in fluorescent dissolved organic matter (FDOM) fingerprints due to thermal treatment and varying time intervals of exposure. Excitation Emission Matrix Spectroscopy (EEMS) approach was utilized to detect and identify the inherent compounds in sampled FDOM. Strong direct correlations were founded, Spearman rank correlation values (ρ = 0.85 at α = 0.1, n = 4) and linear correlation R2 = 0.8359 were noted between thermal treatment pattern 2 and fluorescence intensity of samples. Materials, acrylic based glue and cyclic olefin copolymer (COC) polymer, used to design the microfluidic sensor were determined to possess unique spectral features in the ultraviolet to green spectrum using EEMS. The study therefore provides an insight on methods to identify contaminants in natural waters. This underlines the potential of optical sensors providing measurements at fast intervals, enabling environmental monitoring.

  12. Spectroscopic evidence for the formation of four-stranded solution structure of oligodeoxycytidine phosphorothioate.

    PubMed

    Kanehara, H; Mizuguchi, M; Tajima, K; Kanaori, K; Makino, K

    1997-02-18

    Oligodeoxycytidine phosphorothioate (PS-dCn, n = chain length), known to show virus inhibition ability by a mechanism other than the antisense one when n approximately 20, was explored for its solution structure by circular dichroism (CD) and ultraviolet (UV) absorption spectroscopy. For PS-dC4, when the strand concentration was higher than 10 microM, the respective 288-nm positive and 265-nm negative peaks appeared in the CD spectra at slightly acidic pHs and 0 degree C in the absence of salt, which is indicative of a four-stranded structure (namely, the i-motif). Strand concentration-dependent CD spectroscopy indicated that intermolecular association is responsible for this i-motif. The formation or i-motif was also characterized by UV absorption spectroscopy, in which the dissociation of this structure caused a sharp increase in the absorbance at 275 nm and a decrease at 305 nm. By plotting this change, the Tn values were estimated to be ca. 11 and 13 degrees C at 20 and 50 microM strand concentrations, respectively. Stability of the i-motif was compared between PS-dC, P-chiral diastereoisomers, and the Sp configuration produced a more stable structure than Rp. PS-dC20 was also investigated at physiological temperature, and the respective 288-nm positive and 265-nm negative peaks appeared at slightly acidic pH: it has been suggested that intermolecular folding was predominant above ca. 1 microM and that intramolecular folding dominated at low strand concentrations such as 0.05 microM. Gel-filtration chromatography and nondenaturing gel electrophoresis provided the supporting data for the four-stranded folding of PS-dC20.

  13. Spectroscopic Evidence of Uranium Immobilization in Acidic Wetlands by Natural Organic Matter and Plant Roots

    EPA Science Inventory

    Biogeochemistry of uranium in wetlands plays important roles in U immobilization in storage ponds of U mining and processing facilities but has not been well understood. The objective of this work was to study molecular mechanisms responsible for high U retention by Savannah Ri...

  14. Spectroscopic evidence for charge-transfer complexation in monoclonal antibodies that bind opiates.

    PubMed

    Droupadi, P R; Meyers, E A; Linthicum, D S

    1994-04-01

    Molecular complexes of four monoclonal anti-morphine antibodies (mAb) with the opiate ligands morphine, oxymorphone, and naloxone were studied using UV-VIS absorption spectroscopy. Although strong overlaps in the absorption spectra of the antibodies, ligands, and complexes were observed, a curve-fitting method was developed to correlate the absorbance with the concentration of the ligand-antibody complex. Using this technique, we determined the intrinsic association constants for the mAb with morphine to be in the nanomolar range, while association constants for oxymorphone and naloxone were in the micromolar range. These values were found to be in agreement with previous radioimmunoassay determinations. We also observed different changes in the absorbancy of the mAb upon complexation with different ligands and such changes were found to be different for all four mAb examined. Upon complexation with the ligand morphine, two of the mAb (clone numbers MOR368-21 and MOR10.5) displayed distinct charge-transfer spectral bands in the 320-nm region. These observations suggest that mAb binding site tryptophans may participate in the formation of the antibody-ligand complex and such complexation involves a charge-transfer interaction.

  15. Spectroscopic Evidence for Complexing of Acetic Acid with Bovine Serum Albumin, Gramicidin, and Dimethylformamide

    PubMed Central

    Cann, John R.

    1961-01-01

    Acetic acid has a major effect on the absorption spectra of bovine serum albumin, gramicidin, and dimethylformamide in the region, 255 to 200 mμ. Increasing the concentration of acetic acid causes progressively decreasing absorbency accompanied by a large and progressively increasing red shift of the absorption maximum. The decrease in absorbency is interpreted in terms of a reversible complexing of acetic acid with these molecules and the red shift in terms of a non-specific solvent effect. PMID:13876221

  16. Spectroscopic evidence of 3-hydroxyflavone sorption within MFI type zeolites: ESIPT and metal complexation.

    PubMed

    Moissette, A; Hureau, M; Kokaislova, A; Le Person, A; Cornard, J P; De Waele, I; Batonneau-Gener, I

    2015-10-21

    Due to its chemical and photochemical properties and potential applications in numerous domains as a molecular probe, 3-hydroxyflavone (3HF) is a molecule of high interest. In particular, the processes of intramolecular proton transfer in the excited state and metallic complexation are known to be dependent on the chemical environment. In this context, the particular properties of zeolites make these microporous materials an environment adapted to study the reactivity of isolated molecules adsorbed in their porous void space. Thus, this report investigates the incorporation without any solvent of 3HF into the internal volume of various channel-type MFI zeolites. Using complementary techniques (diffuse reflectance UV-vis absorption, Raman scattering, FTIR, fluorescence emission and molecular modelling), very different spectral behaviours are observed in totally dealuminated silicalite-1 and in Al rich MZSM-5 (M = H(+), Na(+), Zn(2+)). In silicalite-1, the non-polar and non-protic internal micro-environment does not induce any valuable interaction between 3HF and the channel walls. Therefore, the molecule shows easy tautomer formation upon excitation. Within HZSM-5, 3HF is adsorbed in close proximity of the acid proton of the zeolite which inhibits the intramolecular proton transfer and then, only the normal form is observed at the excited state. For NaZSM-5, the spectral data show an intermediary behaviour due to the aprotic but polar environment, in agreement with 3HF sorption in close proximity of the Na(+) extra framework cation. After mixing 3HF and ZnZSM-5, the spectral features clearly indicate metallic complexation of the guest molecule. The zeolite dependent reactivity reported here demonstrates the adsorption of the guest within the internal volume because the charge balancing cations which clearly control the reaction are principally located in the zeolite channels. The 3HF incorporation into the internal volume is proved by the decrease of the microporous volume observed by nitrogen adsorption-desorption isotherm measurements. The experimental data are confirmed by Monte Carlo molecular modelling which also predicts 3HF sorption in the zeolite channels in the proximity of charge compensating cations. Consequently, as the molecule dimensions are assumed to be slightly larger than the channel size, the flexibility of the molecule and the lattice deformation have to be considered to allow 3HF penetration into the zeolite void space.

  17. Spectroscopic Evidence of Uranium Immobilization in Acidic Wetlands by Natural Organic Matter and Plant Roots

    EPA Science Inventory

    Biogeochemistry of uranium in wetlands plays important roles in U immobilization in storage ponds of U mining and processing facilities but has not been well understood. The objective of this work was to study molecular mechanisms responsible for high U retention by Savannah Ri...

  18. SPECTROSCOPIC EVIDENCE FOR A 5.4 MINUTE ORBITAL PERIOD IN HM CANCRI

    SciTech Connect

    Roelofs, Gijs H. A.; Rau, Arne; Marsh, Tom R.; Steeghs, Danny; Groot, Paul J.; Nelemans, Gijs E-mail: arau@mpe.mpg.de

    2010-03-10

    HM Cancri is a candidate ultracompact binary white dwarf with an apparent orbital period of only 5.4 minutes, as suggested by X-ray and optical light-curve modulations on that period, and by the absence of longer-period variability. In this Letter, we present Keck-I spectroscopy which shows clear modulation of the helium emission lines in both radial velocity and amplitude on the 5.4 minute period and no other. The data strongly suggest that the binary is emitting He I 4471 from the irradiated face of the cooler, less massive star, and He II 4686 from a ring around the more massive star. From their relative radial velocities, we measure a mass ratio q = 0.50 {+-} 0.13. We conclude that the observed 5.4 minute period almost certainly represents the orbital period of an interacting binary white dwarf. We thus confirm that HM Cnc is the shortest period binary star known: a unique test for stellar evolution theory, and one of the strongest known sources of gravitational waves for LISA.

  19. Spectroscopic evidence for ternary surface complexes in the lead(II)-malonic acid-hematite system

    USGS Publications Warehouse

    Lenhart, J.J.; Bargar, J.R.; Davis, J.A.

    2001-01-01

    Using extended X-ray absorption fine structure (EXAFS) and attenuated total reflectance Fourier-transform infrared (ATR-FTIR) measurements, we examined the sorption of Pb(II) to hematite in the presence of malonic acid. Pb LIII-edge EXAFS measurements performed in the presence of malonate indicate the presence of both Fe and C neighbors, suggesting that a major fraction of surface-bound malonate is bonded to adsorbed Pb(II). In the absence of Pb(II), ATR-FTIR measurements of sorbed malonate suggest the formation of more than one malonate surface complex. The dissimilarity of the IR spectrum of malonate sorbed on hematite to those for aqueous malonate suggest at least one of the sorbed malonate species is directly coordinated to surface Fe atoms in an inner-sphere mode. In the presence of Pb, little change is seen in the IR spectrum for sorbed malonate, indicating that geometry of malonate as it coordinates to sorbed Pb(II) adions is similar to the geometry of malonate as it coordinates to Fe in the hematite surface. Fits of the raw EXAFS spectra collected from pH 4 to pH 8 result in average Pb-C distances of 2.98 to 3.14 A??, suggesting the presence of both four- and six-membered Pb-malonate rings. The IR results are consistent with this interpretation. Thus, our results suggest that malonate binds to sorbed Pb(II) adions, forming ternary metal-bridging surface complexes. ?? 2001 Academic Press.

  20. Emission Spectroscopic Evidence of Bronsted Acid Sites in a Calcinated Vycor Glass.

    DTIC Science & Technology

    1987-05-18

    clcinnoline and benzophenone embedded in Vycor glass at 4.2 K are observed( 2 8 ) to display a non-exponential decay. The study of the different adsorption...In Advanced in Photochemistry , Vol. 8, 1971, p. 315. 5) Haw, J. F.-, Chuang, I. S., Hawkins, B. L., Maciel, G. E. J. Am. Chem. Soc., 105, 7206 (1983

  1. Spectroscopic evidence for organic diacid complexation with dissolved silica in aqueous systems—I. Oxalic acid

    USGS Publications Warehouse

    Marley, N.A.; Bennett, P.; Janecky, D.R.; Gaffney, J.S.

    1989-01-01

    Increased solubility of quartz and mobilization in contaminated groundwater due to the complexation with dissolved organic acids has been recently proposed [Bennett and Siegel, Nature326, 684–686 (1987)]. Using laser Raman and Fourier transform infrared spectroscopies, we have examined mixed solutions of oxalic and silicic acids at near neutral pH in the tenth molar concentration ranges in an attempt to directly observe the proposed organo-silicate complexes.In both laser Raman and infrared spectra, product bands were observed that indicate an oxalate/silicic acid ester is being formed in the reaction. These data support the observation that organic diacids can lead to enhanced solubility of quartz in hydrogeological systems.

  2. Spectroscopic Evidence for Exceptional Thermal Contribution to Electron-Beam Induced Fragmentation

    SciTech Connect

    Caldwell, Marissa A.; Haynor, Ben; Aloni, Shaul; Ogletree, D. Frank; Wong, H.-S. Philip; Urban, Jeffrey J.; Milliron, Delia J.

    2010-11-16

    While electron beam induced fragmentation (EBIF) has been reported to result in the formation of nanocrystals of various compositions, the physical forces driving this phenomenon are still poorly understood. We report EBIF to be a much more general phenomenon than previously appreciated, operative across a wide variety of metals, semiconductors and insulators. In addition, we leverage the temperature dependent bandgap of several semiconductors to quantify -- using in situ cathodoluminescence spectroscopy -- the thermal contribution to EBIF, and find extreme temperature rises upwards of 1000K.

  3. Ammonia Adsorption and Co-adsorption with Water in HKUST-1: Spectroscopic Evidence for Cooperative Interactions

    DOE PAGES

    Nijem, Nour; Fürsich, Katrin; Bluhm, Hendrik; ...

    2015-10-09

    Ammonia interactions and competition with water at the interface of nanoporous metal organic framework thin films of HKUST-1 (Cu3Btc2 , Btc = 1,3,5-benzenedicarboxylate) are investigated with ambient pressure X-ray photoelectron spectroscopy (APXPS). In the absence of water, ammonia adsorption at the Cu2+ metal center weakens the metal-linker bond of the framework. In the presence of water, due to the higher binding energy (adsorption strength) of ammonia compared to water, ammonia replaces water at the unsaturated Cu2+ metal centers. The water molecules remaining in the pores are stabilized by hydrogen bonding to ammonia. Hydrogen bonding between the water and ammonia strengthensmore » the metal-ammonia interaction due to cooperative interactions. Cooperative interactions result in a reduction in the metal center oxidation state facilitating linker replacement by other species explaining the previously reported structure degradation.« less

  4. Ammonia Adsorption and Co-adsorption with Water in HKUST-1: Spectroscopic Evidence for Cooperative Interactions

    SciTech Connect

    Nijem, Nour; Fürsich, Katrin; Bluhm, Hendrik; Leone, Stephen R.; Gilles, Mary K.

    2015-10-09

    Ammonia interactions and competition with water at the interface of nanoporous metal organic framework thin films of HKUST-1 (Cu3Btc2 , Btc = 1,3,5-benzenedicarboxylate) are investigated with ambient pressure X-ray photoelectron spectroscopy (APXPS). In the absence of water, ammonia adsorption at the Cu2+ metal center weakens the metal-linker bond of the framework. In the presence of water, due to the higher binding energy (adsorption strength) of ammonia compared to water, ammonia replaces water at the unsaturated Cu2+ metal centers. The water molecules remaining in the pores are stabilized by hydrogen bonding to ammonia. Hydrogen bonding between the water and ammonia strengthens the metal-ammonia interaction due to cooperative interactions. Cooperative interactions result in a reduction in the metal center oxidation state facilitating linker replacement by other species explaining the previously reported structure degradation.

  5. Spectroscopic evidence of keto-enol tautomerism in deliquesced malonic acid particles.

    PubMed

    Ghorai, Suman; Laskin, Alexander; Tivanski, Alexei V

    2011-05-05

    Scanning transmission X-ray microscopy combined with near-edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS) and optical microscopy coupled with Fourier transform infrared spectroscopy (micro-FTIR) have been applied to observe hygroscopic growth and chemical changes in malonic acid particles deposited on substrates. The extent of the hygroscopic growth of particles has been quantified in terms of the corresponding water-to-solute ratios (WSR) based on STXM/NEXAFS and micro-FTIR data sets. WSR values derived separately from two applied methods displayed a remarkable agreement with previous data reported in the literature. Comparison of NEXAFS and FTIR spectra acquired at different relative humidity (RH) shows efficient keto-enol tautomerization of malonic acid, with the enol form dominating at higher RH. The keto-enol equilibrium constants were calculated using relevant peak intensities in the carbon and oxygen K-edge NEXAFS spectra as a function of RH. We report strong dependence of the equilibrium constant on RH, with measured values of 0.18 ± 0.03, 1.11 ± 0.14, and 2.33 ± 0.37 corresponding to 2, 50, and 90% RH, respectively. Enols are important intermediates in aldol condensation reactions pertaining to formation and atmospheric aging of secondary organic aerosol (SOA). The present knowledge assumes that constituents of atmospheric deliquesced particles undergo aqueous chemistry with kinetic and equilibrium constants analogous to reactions in bulk solutions, which would estimate absolute dominance of the keto form of carboxylic acids. For instance, the keto-enol equilibrium constant of malonic acid in diluted aqueous solution is <10(-4). Our results suggest that in deliquesced micrometer-size particles, carboxylic acids may exist in predominantly enol forms that need to be explicitly considered in atmospheric aerosol chemistry.

  6. Thermally induced anchoring of fullerene in copolymers with Si-bridging atom: Spectroscopic evidences

    NASA Astrophysics Data System (ADS)

    Marchiori, Cleber F. N.; Garcia-Basabe, Yunier; de A. Ribeiro, Fabio; Koehler, Marlus; Roman, Lucimara S.; Rocco, Maria Luiza M.

    2017-01-01

    We use X-ray photoelectron spectroscopy (XPS), Near-edge X-ray absorption fine structure (NEXAFS), resonant Auger spectroscopy (RAS), Attenuation Total Reflection Infrared (ATR-IR) and Atomic Force Microscopy (AFM) to study the blend between the copolymer poly[2,7-(9,9-bis(2-ethylhexyl)-dibenzosilole)-alt-4,7-bis(thiophen-2-yl)benzo-2,1,3-thiadiazole] (PSiF-DBT) and the fullerene derivative PC71BM submitted to different annealing temperatures. Those measurements indicate that there is an incidental anchoring of a fullerene derivative to the Si-bridging atoms of a copolymer induced by thermal annealing of the film. Insights about the physical properties of one possible PSiF-DBT/PC71BM anchored structure are obtained using Density Functional Theory calculations. Since the performance of organic photovoltaic based on polymer-fullerene blends depends on the chemical structure of the blend components, the anchoring effect might affect the photovoltaic properties of those devices.

  7. Molecular insights of oxidation process of iron nanoparticles: spectroscopic, magnetic, and microscopic evidence.

    PubMed

    Kumar, Naresh; Auffan, Mélanie; Gattacceca, Jérôme; Rose, Jérôme; Olivi, Luca; Borschneck, Daniel; Kvapil, Petr; Jublot, Michael; Kaifas, Delphine; Malleret, Laure; Doumenq, Pierre; Bottero, Jean-Yves

    2014-12-02

    Oxidation behavior of nano-Fe(0) particles in an anoxic environment was determined using different state-of-the-art analytical approaches, including high resolution transmission electron microscopy (HR-TEM) combined with energy filtered transmission electron microscopy (EFTEM), X-ray absorption spectroscopy (XAS), and magnetic measurements. Oxidation in controlled experiments was compared in standard double distilled (DD) water, DD water spiked with trichloroethene (TCE), and TCE contaminated site water. Using HR-TEM and EFTEM, we observed a surface oxide layer (∼3 nm) formed immediately after the particles were exposed to water. XAS analysis followed the dynamic change in total metallic iron concentration and iron oxide concentration for the experimental duration of 35 days. The metallic iron concentration in nano-Fe(0) particles exposed to water, was ∼40% after 35 days; in contrast, the samples containing TCE were reduced to ∼15% and even to nil in the case of TCE contaminated site water, suggesting that the contaminants enhance the oxidation of nano-Fe(0). Frequency dependence measurements confirmed the formation of superparamagnetic particles in the system. Overall, our results suggest that nano-Fe(0) oxidized via the Fe(0) - Fe(OH)2 - Fe3O4 - (γ-Fe2O3) route and the formation of superparamagnetic maghemite nanoparticles due to disruption of the surface oxide layer.

  8. Spectroscopic evidence of uranium immobilization in acidic wetlands by natural organic matter and plant roots

    DOE PAGES

    Li, Dien; Kaplan, Daniel I.; Chang, Hyun-Shik; ...

    2015-03-03

    Biogeochemistry of uranium in wetlands plays important roles in U immobilization in storage ponds of U mining and processing facilities but has not been well understood. The objective of this work was to study molecular mechanisms responsible for high U retention by Savannah River Site (SRS) wetland sediments under varying redox and acidic (pH = 2.6–5.8) conditions using U L₃-edge X-ray absorption spectroscopy. Uranium in the SRS wetland sediments existed primarily as U(VI) bonded as a bidentate to carboxylic sites (U–C bond distance at ~2.88 Å), rather than phenolic or other sites of natural organic matter (NOM). In microcosms simulatingmore » the SRS wetland processes, U immobilization on roots was two orders of magnitude higher than on the adjacent brown or more distant white sands in which U was U(VI). Uranium on the roots were both U(IV) and U(VI), which were bonded as a bidentate to carbon, but the U(VI) may also form a U phosphate mineral. After 140 days of air exposure, all U(IV) was re-oxidized to U(VI) but remained as a bidentate bonding to carbon. This study demonstrated NOM and plant roots can highly immobilize U(VI) in the SRS acidic sediments, which has significant implication for the long-term stewardship of U-contaminated wetlands.« less

  9. Spectroscopic evidence of uranium immobilization in acidic wetlands by natural organic matter and plant roots

    SciTech Connect

    Li, Dien; Kaplan, Daniel I.; Chang, Hyun-Shik; Seaman, John C.; Jaffé, Peter R.; Koster van Groos, Paul; Scheckel, Kirk G.; Segre, Carlo U.; Chen, Ning; Jiang, De-Tong; Newville, Matthew; Lanzirotti, Antonio

    2015-03-03

    Biogeochemistry of uranium in wetlands plays important roles in U immobilization in storage ponds of U mining and processing facilities but has not been well understood. The objective of this work was to study molecular mechanisms responsible for high U retention by Savannah River Site (SRS) wetland sediments under varying redox and acidic (pH = 2.6–5.8) conditions using U L₃-edge X-ray absorption spectroscopy. Uranium in the SRS wetland sediments existed primarily as U(VI) bonded as a bidentate to carboxylic sites (U–C bond distance at ~2.88 Å), rather than phenolic or other sites of natural organic matter (NOM). In microcosms simulating the SRS wetland processes, U immobilization on roots was two orders of magnitude higher than on the adjacent brown or more distant white sands in which U was U(VI). Uranium on the roots were both U(IV) and U(VI), which were bonded as a bidentate to carbon, but the U(VI) may also form a U phosphate mineral. After 140 days of air exposure, all U(IV) was re-oxidized to U(VI) but remained as a bidentate bonding to carbon. This study demonstrated NOM and plant roots can highly immobilize U(VI) in the SRS acidic sediments, which has significant implication for the long-term stewardship of U-contaminated wetlands.

  10. Spectroscopic evidence of uranium immobilization in acidic wetlands by natural organic matter and plant roots.

    PubMed

    Li, Dien; Kaplan, Daniel I; Chang, Hyun-Shik; Seaman, John C; Jaffé, Peter R; Koster van Groos, Paul; Scheckel, Kirk G; Segre, Carlo U; Chen, Ning; Jiang, De-Tong; Newville, Matthew; Lanzirotti, Antonio

    2015-03-03

    Biogeochemistry of uranium in wetlands plays important roles in U immobilization in storage ponds of U mining and processing facilities but has not been well understood. The objective of this work was to study molecular mechanisms responsible for high U retention by Savannah River Site (SRS) wetland sediments under varying redox and acidic (pH = 2.6-5.8) conditions using U L3-edge X-ray absorption spectroscopy. Uranium in the SRS wetland sediments existed primarily as U(VI) bonded as a bidentate to carboxylic sites (U-C bond distance at ∼2.88 Å), rather than phenolic or other sites of natural organic matter (NOM). In microcosms simulating the SRS wetland processes, U immobilization on roots was 2 orders of magnitude higher than on the adjacent brown or more distant white sands in which U was U(VI). Uranium on the roots were both U(IV) and U(VI), which were bonded as a bidentate to carbon, but the U(VI) may also form a U phosphate mineral. After 140 days of air exposure, all U(IV) was reoxidized to U(VI) but remained as a bidentate bonding to carbon. This study demonstrated NOM and plant roots can highly immobilize U(VI) in the SRS acidic sediments, which has significant implication for the long-term stewardship of U-contaminated wetlands.

  11. Spectroscopic Evidence for the Tricapped Trigonal Prism(TTP) Structure of Semiconductor Clusters

    NASA Astrophysics Data System (ADS)

    Muller, Jurgen; Liu, B.; Shvartsburg, A. A.; Ogut, Serdar; Chelikowsky, James R.; Lu, Z. Y.; Wang, C. Z.; Ho, Kai-Ming; Gantefor, Gerd

    2000-03-01

    An unbiased global search using the genetic algorithm and simulated annealing has revealed that medium-sized Si and Ge clusters assume geometries resembling stacks of TTP subunits. These structures are consistent with experimental data on ionic mobilities, ionization potentials, and dissociation energies/pathways. Here we report the photoelectron spectra for size-selected silicon cluster anions with up to 18 atoms. Efficient cooling of clusters prior to electron detachment, use of the high-gain "magnetic bottle" configuration, and high photon energy employed have allowed us to clearly resolve several electronic bands for all sizes studied. We have used density functional theory to calculate the PES for a number of low-energy Si_n^- (n<19) geometries found by the global search. Spectra simulated for the Si_n^- ground states are in an excellent agreement with experiment for almost all sizes considered. Our present findings thus confirm the prolate growth pattern of medium-sized semiconductor clusters based on stacking TTPs.

  12. Spectroscopic evidence of xanthine compounds fluorescence quenching effect on water-soluble porphyrins

    NASA Astrophysics Data System (ADS)

    Makarska-Bialokoz, Magdalena

    2015-02-01

    The formation of π-stacked complexes between water-soluble porphyrins: 4,4‧,4″,4″‧-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-(benzoic acid) (H2TCPP), 5,10,15,20-tetrakis(4-sulfonatophenyl)-21H,23H-porphine (H2TPPS4), 5,10,15,20-tetrakis[4-(trimethylammonio)phenyl]-21H,23H-porphine tetra-p-tosylate (H2TTMePP), 5,10,15,20-tetrakis(1-methyl-4-pyridyl)-21H,23H-porphine tetra-p-tosylate (H2TMePyP), the Cu(II) complexes of H2TTMePP and H2TMePyP, as well as chlorophyll a with xanthine, theophylline (1,3-dimethylxanthine) and theobromine (3,7-dimethylxanthine) has been studied analysing their absorption and steady-state fluorescence spectra in aqueous (or acetone in case of chlorophyll a) solution. During titration by the compounds from xanthine group the bathochromic effect in the porphyrin absorption spectra as well as the hypochromicity of the porphyrin Soret maximum can be noticed. The fluorescence quenching effect observed during interactions in the systems examined suggests the process of static quenching. The association and fluorescence quenching constants are of the order of magnitude of 103 - 102 mol-1. The results obtained show that xanthine and its derivatives can quench the fluorescence of the porphyrins according to the number of methyl groups in the molecule of quencher.

  13. Multiprobe Spectroscopic Evidence for "Hyperpolarity" within 1-Butyl-3-methylimidazolium Hexafluorophosphate Mixtures with Tetraethylene Glycol

    SciTech Connect

    Sarkar, Abhra; Trivedi, Shruti; Baker, Gary A; Pandey, Siddharth

    2008-01-01

    A hybrid, potentially green solvent system composed of tetraethylene glycol (TEG) and the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) was investigated across all mole fractions with regard to the solvent properties of the mixture. For this purpose, a suite of absorbance- and fluorescence-based solvatochromic probes were utilized to explore solute-solvent and solvent-solvent interactions existing within the [bmim][PF6] + TEG system. These studies revealed an interesting and unusual synergistic solvent effect. In particular, a remarkable hyperpolarity was observed in which the ET value, comprising dipolarity/polarizability and hydrogen bond donor (HBD) acidity contributions, at intermediate mole fractions of the binary mixture well exceeded that of the most polar pure component (i.e., [bmim][PF6]). Independently determined dipolarity/polarizability ( *) and HBD acidity (R) Kamlet-Taft values for the [bmim][PF6] + TEG mixtures were also observed to be anomalously high at intermediate mole fractions, whereas hydrogen bond acceptor (HBA) basicities ( values) were much more in line with the ideal arithmetic values predicted on a mole fraction basis.

  14. Spectroscopic evidence for a lava fountain driven by previously accumulated magmatic gas.

    PubMed

    Allard, Patrick; Burton, Mike; Muré, Filippo

    2005-01-27

    Lava fountains are spectacular continuous gas jets, propelling lava fragments to heights of several hundred metres, which occasionally occur during eruptions of low-viscosity magmas. Whether they are generated by the effervescent disruption of fast-rising bubbly melt or by the separate ascent of a bubble foam layer accumulated at depth still remains a matter of debate. No field measurement has yet allowed firm discrimination between these two models. A key insight into the origin of lava fountains may be gained by measuring the chemical composition of the driving gas phase. This composition should differ markedly depending on whether the magma degassing occurs before or during eruption. Here we report the analysis of magmatic gas during a powerful (250-600 m high) lava fountain, measured with Fourier transform infrared spectroscopy on Mount Etna, Sicily. The abundances of volcanic gas species, determined from absorption spectra of lava radiation, reveal a fountain gas having higher CO2/S and S/Cl ratios than other etnean emissions, and which cannot derive from syn-eruptive bulk degassing of Etna basalt. Instead, its composition suggests violent emptying of a gas bubble layer previously accumulated at about 1.5 km depth below the erupting crater.

  15. Spectroscopic and molecular modeling evidence of clozapine binding to human serum albumin at subdomain IIA

    NASA Astrophysics Data System (ADS)

    Wu, Xinhu; Liu, Jianjun; Wang, Qiang; Xue, Weiwei; Yao, Xiaojun; Zhang, Yan; Jin, Jing

    2011-09-01

    Various spectroscopy and molecular docking methods were used to examine the binding of Clozapine (CLZ) to human serum albumin (HSA) in this paper. By monitoring the intrinsic fluorescence of single Trp214 residue and performing Dansylamide (DNSA) displacement measurement, the specific binding of CLZ in the vicinity of Sudlow's Site I of HSA has been clarified. An apparent distance of 27.3 Å between the Trp214 and CLZ was obtained via fluorescence resonance energy transfer (FRET) method. In addition, the changes in the secondary structure of HSA after its complexation with CLZ ligand were studied with CD spectroscopy, which indicate that CLZ does not has remarkable effect on the structure of the protein. Moreover, thermal denaturation experiment shows that the HSA-CLZ complexes are conformationally more stable. Finally, the binding details between CLZ and HSA were further confirmed by molecular docking studies, which revealed that CLZ was bound at subdomain IIA through multiple interactions, such as hydrophobic effect, van der Waals forces and hydrogen bonding.

  16. Spectroscopic and molecular modeling evidence of clozapine binding to human serum albumin at subdomain IIA.

    PubMed

    Wu, Xinhu; Liu, Jianjun; Wang, Qiang; Xue, Weiwei; Yao, Xiaojun; Zhang, Yan; Jin, Jing

    2011-09-01

    Various spectroscopy and molecular docking methods were used to examine the binding of Clozapine (CLZ) to human serum albumin (HSA) in this paper. By monitoring the intrinsic fluorescence of single Trp214 residue and performing Dansylamide (DNSA) displacement measurement, the specific binding of CLZ in the vicinity of Sudlow's Site I of HSA has been clarified. An apparent distance of 27.3 Å between the Trp214 and CLZ was obtained via fluorescence resonance energy transfer (FRET) method. In addition, the changes in the secondary structure of HSA after its complexation with CLZ ligand were studied with CD spectroscopy, which indicate that CLZ does not has remarkable effect on the structure of the protein. Moreover, thermal denaturation experiment shows that the HSA-CLZ complexes are conformationally more stable. Finally, the binding details between CLZ and HSA were further confirmed by molecular docking studies, which revealed that CLZ was bound at subdomain IIA through multiple interactions, such as hydrophobic effect, van der Waals forces and hydrogen bonding.

  17. Spectroscopic Evidence for a Massive Black Hole in NGC 4486B

    NASA Astrophysics Data System (ADS)

    Kormendy, J.; Bender, R.; Magorrian, J.; Tremaine, S.; Dressler, A.; Gebhardt, K.; Richstone, D.; Green, R.; Lauer, T.; Grillmair, C.

    1996-12-01

    The stellar kinematics of the low-luminosity elliptical galaxy NGC 4486B have been measured in seeing FWHM = 0farcs66 with the Canada-France-Hawaii Telescope. Lauer et al. (1996, ApJL, in press) have shown that NGC 4486B is similar to M31 in having a double nucleus. We show that it also resembles M31 in its dynamics. The region near the double nucleus rotates more rapidly than the rest of the galaxy and has a steep velocity dispersion gradient. The central dispersion, sigma = 257 +/- 9 km s(-1) , is much higher than expected for an elliptical galaxy of absolute magnitude M_B =~ -16.8 (distance = 16 Mpc). Even more than M31, NGC 4486B is far above the scatter in the Faber-Jackson correlation between sigma and bulge luminosity. Given the observed brightness distribution, this implies that the central mass-to-light ratio is unusually high. We construct dynamical models with isotropic velocity dispersions; these imply that NGC 4486B contains a central dark object, probably a black hole (BH), of mass M_ (5.3(+3.0}_{-2.5) ) x 10(8) M_sun. Smaller masses are allowed if the velocity distribution is anisotropic, but M_ is likely to be _>atop {( ~ }) 10(8) M_sun. This BH detection reinforces the observed correlation of M_ with bulge luminosity (Kormendy & Richstone 1995, ARA&A, 33, 581). We now know of two nearby galaxies with double nuclei; this increases the need for an explanation that allows the double structure to last longer than the (short!) dynamical friction timescale of an accretion. The detection of a central dark object in NGC 4486B supports models in which double nuclei depend on the presence of a BH (e.g., Tremaine 1995, AJ, 110, 628). JK's work was supported by NSF grant AST-9219221. RB was supported by SFB 375 and by the Max-Planck-Gesellschaft. The Nuker team was supported by HST data analysis funds through grant GO-02600.01-87A and by NSERC.

  18. Spectroscopic evidence for a type II Weyl semimetallic state in MoTe2

    SciTech Connect

    Huang, Lunan; McCormick, Timothy M.; Ochi, Masayuki; Zhao, Zhiying; Suzuki, Michi -To; Arita, Ryotaro; Wu, Yun; Mou, Daixiang; Cao, Huibo; Yan, Jiaqiang; Trivedi, Nandini; Kaminski, Adam

    2016-07-11

    In a type I Dirac or Weyl semimetal, the low-energy states are squeezed to a single point in momentum space when the chemical potential μ is tuned precisely to the Dirac/Weyl point. Recently, a type II Weyl semimetal was predicted to exist, where the Weyl states connect hole and electron bands, separated by an indirect gap. This leads to unusual energy states, where hole and electron pockets touch at the Weyl point. Here we present the discovery of a type II topological Weyl semimetal state in pure MoTe2, where two sets of Weyl points (W±2 , W±3) exist at the touching points of electron and hole pockets and are located at different binding energies above EF. Using angle-resolved photoemission spectroscopy, modelling, density functional theory and calculations of Berry curvature, we identify the Weyl points and demonstrate that they are connected by different sets of Fermi arcs for each of the two surface terminations. We also find new surface ‘track states’ that form closed loops and are unique to type II Weyl semimetals. Lastly, this material provides an exciting, new platform to study the properties of Weyl fermions.

  19. Spectroscopic evidence for a type II Weyl semimetallic state in MoTe2

    DOE PAGES

    Huang, Lunan; McCormick, Timothy M.; Ochi, Masayuki; ...

    2016-07-11

    In a type I Dirac or Weyl semimetal, the low-energy states are squeezed to a single point in momentum space when the chemical potential μ is tuned precisely to the Dirac/Weyl point. Recently, a type II Weyl semimetal was predicted to exist, where the Weyl states connect hole and electron bands, separated by an indirect gap. This leads to unusual energy states, where hole and electron pockets touch at the Weyl point. Here we present the discovery of a type II topological Weyl semimetal state in pure MoTe2, where two sets of Weyl points (W±2 , W±3) exist at themore » touching points of electron and hole pockets and are located at different binding energies above EF. Using angle-resolved photoemission spectroscopy, modelling, density functional theory and calculations of Berry curvature, we identify the Weyl points and demonstrate that they are connected by different sets of Fermi arcs for each of the two surface terminations. We also find new surface ‘track states’ that form closed loops and are unique to type II Weyl semimetals. Lastly, this material provides an exciting, new platform to study the properties of Weyl fermions.« less

  20. Diatomic interhalogens - Systematics and implications of spectroscopic interatomic potentials and curve crossings

    NASA Technical Reports Server (NTRS)

    Child, M. S.; Bernstein, R. B.

    1973-01-01

    Spectroscopically derived potential curves for the low-lying excited states of homonuclear and heteronuclear diatomic interhalogens are systematized by the spin-orbit state of their dissociation products. The implications of spectroscopic interatomic potentials and curve crossings are discussed.