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Sample records for absorption studies revealed

  1. Oxidation Induced Doping of Nanoparticles Revealed by in Situ X-ray Absorption Studies.

    PubMed

    Kwon, Soon Gu; Chattopadhyay, Soma; Koo, Bonil; Dos Santos Claro, Paula Cecilia; Shibata, Tomohiro; Requejo, Félix G; Giovanetti, Lisandro J; Liu, Yuzi; Johnson, Christopher; Prakapenka, Vitali; Lee, Byeongdu; Shevchenko, Elena V

    2016-06-01

    Doping is a well-known approach to modulate the electronic and optical properties of nanoparticles (NPs). However, doping at nanoscale is still very challenging, and the reasons for that are not well understood. We studied the formation and doping process of iron and iron oxide NPs in real time by in situ synchrotron X-ray absorption spectroscopy. Our study revealed that the mass flow of the iron triggered by oxidation is responsible for the internalization of the dopant (molybdenum) adsorbed at the surface of the host iron NPs. The oxidation induced doping allows controlling the doping levels by varying the amount of dopant precursor. Our in situ studies also revealed that the dopant precursor substantially changes the reaction kinetics of formation of iron and iron oxide NPs. Thus, in the presence of dopant precursor we observed significantly faster decomposition rate of iron precursors and substantially higher stability of iron NPs against oxidation. The same doping mechanism and higher stability of host metal NPs against oxidation was observed for cobalt-based systems. Since the internalization of the adsorbed dopant at the surface of the host NPs is driven by the mass transport of the host, this mechanism can be potentially applied to introduce dopants into different oxidized forms of metal and metal alloy NPs providing the extra degree of compositional control in material design. PMID:27152970

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

    NASA Astrophysics Data System (ADS)

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

    2010-03-01

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

  3. Energy-balance studies reveal associations between gut microbes, caloric load, and nutrient absorption in humans123

    PubMed Central

    Jumpertz, Reiner; Le, Duc Son; Turnbaugh, Peter J; Trinidad, Cathy; Bogardus, Clifton; Gordon, Jeffrey I; Krakoff, Jonathan

    2011-01-01

    Background: Studies in mice indicate that the gut microbiome influences both sides of the energy-balance equation by contributing to nutrient absorption and regulating host genes that affect adiposity. However, it remains uncertain as to what extent gut microbiota are an important regulator of nutrient absorption in humans. Objective: With the use of a carefully monitored inpatient study cohort, we tested how gut bacterial community structure is affected by altering the nutrient load in lean and obese individuals and whether their microbiota are correlated with the efficiency of dietary energy harvest. Design: We investigated dynamic changes of gut microbiota during diets that varied in caloric content (2400 compared with 3400 kcal/d) by pyrosequencing bacterial 16S ribosomal RNA (rRNA) genes present in the feces of 12 lean and 9 obese individuals and by measuring ingested and stool calories with the use of bomb calorimetry. Results: The alteration of the nutrient load induced rapid changes in the gut microbiota. These changes were directly correlated with stool energy loss in lean individuals such that a 20% increase in Firmicutes and a corresponding decrease in Bacteroidetes were associated with an increased energy harvest of ≈150 kcal. A high degree of overfeeding in lean individuals was accompanied by a greater fractional decrease in stool energy loss. Conclusions: These results show that the nutrient load is a key variable that can influence the gut (fecal) bacterial community structure over short time scales. Furthermore, the observed associations between gut microbes and nutrient absorption indicate a possible role of the human gut microbiota in the regulation of the nutrient harvest. This trial was registered at clinicaltrials.gov as NCT00414063. PMID:21543530

  4. Revealing spectral features in two-photon absorption spectrum of Hoechst 33342: a combined experimental and quantum-chemical study.

    PubMed

    Olesiak-Banska, Joanna; Matczyszyn, Katarzyna; Zaleśny, Robert; Murugan, N Arul; Kongsted, Jacob; Ågren, Hans; Bartkowiak, Wojciech; Samoc, Marek

    2013-10-10

    We present the results of wide spectral range Z-scan measurements of the two-photon absorption (2PA) spectrum of the Hoechst 33342 dye. The strongest 2PA of the dye in aqueous solution is found at 575 nm, and the associated two-photon absorption cross section is 245 GM. A weak but clearly visible 2PA band at ∼850 nm is also observed, a feature that could not be anticipated from the one-photon absorption spectrum. On the basis of the results of hybrid quantum mechanics/molecular mechanics calculations, we put forward a notion that the long-wavelength feature observed in the two-photon absorption spectrum of Hoechst 33342 is due to the formation of dye aggregates. PMID:24016295

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

    PubMed

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

    2014-08-01

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

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

    PubMed

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

    2014-08-01

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

  7. Quasar Absorption Studies

    NASA Technical Reports Server (NTRS)

    Mushotzky, Richard (Technical Monitor); Elvis, Martin

    2004-01-01

    The aim of the proposal is to investigate the absorption properties of a sample of inter-mediate redshift quasars. The main goals of the project are: Measure the redshift and the column density of the X-ray absorbers; test the correlation between absorption and redshift suggested by ROSAT and ASCA data; constrain the absorber ionization status and metallicity; constrain the absorber dust content and composition through the comparison between the amount of X-ray absorption and optical dust extinction. Unanticipated low energy cut-offs where discovered in ROSAT spectra of quasars and confirmed by ASCA, BeppoSAX and Chandra. In most cases it was not possible to constrain adequately the redshift of the absorber from the X-ray data alone. Two possibilities remain open: a) absorption at the quasar redshift; and b) intervening absorption. The evidences in favour of intrinsic absorption are all indirect. Sensitive XMM observations can discriminate between these different scenarios. If the absorption is at the quasar redshift we can study whether the quasar environment evolves with the Cosmic time.

  8. Combined Spectroscopic and Calorimetric Studies to Reveal Absorption Mechanisms and Conformational Changes of Protein on Nanoporous Biomaterials

    PubMed Central

    Ahmadi, Saharnaz; Farokhi, Maryam; Padidar, Parisa; Falahati, Mojtaba

    2015-01-01

    In this study the effect of surface modification of mesoporous silica nanoparticles (MSNs) on its adsorption capacities and protein stability after immobilization of beta-lactoglobulin B (BLG-B) was investigated. For this purpose, non-functionalized (KIT-6) and aminopropyl-functionalized cubic Ia3d mesoporous silica ([n-PrNH2-KIT-6]) nanoparticles were used as nanoporous supports. Aminopropyl-functionalized mesoporous nanoparticles exhibited more potential candidates for BLG-B adsorption and minimum BLG leaching than non-functionalized nanoparticles. It was observed that the amount of adsorbed BLG is dependent on the initial BLG concentration for both KIT-6 and [n-PrNH2-KIT-6] mesoporous nanoparticles. Also larger amounts of BLG-B on KIT-6 was immobilized upon raising the temperature of the medium from 4 to 55 °C while such increase was undetectable in the case of immobilization of BLG-B on the [n-PrNH2-KIT-6]. At temperatures above 55 °C the amounts of adsorbed BLG on both studied nanomaterials decreased significantly. By Differential scanning calorimetry or DSC analysis the heterogeneity of the protein solution and increase in Tm may indicate that immobilization of BLG-B onto the modified KIT-6 results in higher thermal stability compared to unmodified one. The obtained results provide several crucial factors in determining the mechanism(s) of protein adsorption and stability on the nanostructured solid supports and the development of engineered nano-biomaterials for controlled drug-delivery systems and biomimetic interfaces for the immobilization of living cells. PMID:26230687

  9. Microwave-assisted synthesis of water-soluble, fluorescent gold nanoclusters capped with small organic molecules and a revealing fluorescence and X-ray absorption study

    NASA Astrophysics Data System (ADS)

    Helmbrecht, C.; Lützenkirchen-Hecht, D.; Frank, W.

    2015-03-01

    Colourless solutions of blue light-emitting, water-soluble gold nanoclusters (AuNC) were synthesized from gold colloids under microwave irradiation using small organic molecules as ligands. Stabilized by 1,3,5-triaza-7-phosphaadamantane (TPA) or l-glutamine (GLU), fluorescence quantum yields up to 5% were obtained. AuNC are considered to be very promising for biological labelling, optoelectronic devices and light-emitting materials but the structure-property relationships have still not been fully clarified. To expand the knowledge about the AuNC apart from their fluorescent properties they were studied by X-ray absorption spectroscopy elucidating the oxidation state of the nanoclusters' gold atoms. Based on curve fitting of the XANES spectra in comparison to several gold references, optically transparent fluorescent AuNC are predicted to be ligand-stabilized Au5+ species. Additionally, their near edge structure compared with analogous results of polynuclear clusters known from the literature discloses an increasing intensity of the feature close to the absorption edge with decreasing cluster size. As a result, a linear relationship between the cluster size and the X-ray absorption coefficient can be established for the first time.Colourless solutions of blue light-emitting, water-soluble gold nanoclusters (AuNC) were synthesized from gold colloids under microwave irradiation using small organic molecules as ligands. Stabilized by 1,3,5-triaza-7-phosphaadamantane (TPA) or l-glutamine (GLU), fluorescence quantum yields up to 5% were obtained. AuNC are considered to be very promising for biological labelling, optoelectronic devices and light-emitting materials but the structure-property relationships have still not been fully clarified. To expand the knowledge about the AuNC apart from their fluorescent properties they were studied by X-ray absorption spectroscopy elucidating the oxidation state of the nanoclusters' gold atoms. Based on curve fitting of the XANES

  10. The photochemical determinants of color vision: revealing how opsins tune their chromophore's absorption wavelength.

    PubMed

    Wang, Wenjing; Geiger, James H; Borhan, Babak

    2014-01-01

    The evolution of a variety of important chromophore-dependent biological processes, including microbial light sensing and mammalian color vision, relies on protein modifications that alter the spectral characteristics of a bound chromophore. Three different color opsins share the same chromophore, but have three distinct absorptions that together cover the entire visible spectrum, giving rise to trichromatic vision. The influence of opsins on the absorbance of the chromophore has been studied through methods such as model compounds, opsin mutagenesis, and computational modeling. The recent development of rhodopsin mimic that uses small soluble proteins to recapitulate the binding and wavelength tuning of the native opsins provides a new platform for studying protein-regulated spectral tuning. The ability to achieve far-red shifted absorption in the rhodopsin mimic system was attributed to a combination of the lack of a counteranion proximal to the iminium, and a uniformly neutral electrostatic environment surrounding the chromophore. PMID:24323922

  11. The photochemical determinants of color vision: revealing how opsins tune their chromophore's absorption wavelength.

    PubMed

    Wang, Wenjing; Geiger, James H; Borhan, Babak

    2014-01-01

    The evolution of a variety of important chromophore-dependent biological processes, including microbial light sensing and mammalian color vision, relies on protein modifications that alter the spectral characteristics of a bound chromophore. Three different color opsins share the same chromophore, but have three distinct absorptions that together cover the entire visible spectrum, giving rise to trichromatic vision. The influence of opsins on the absorbance of the chromophore has been studied through methods such as model compounds, opsin mutagenesis, and computational modeling. The recent development of rhodopsin mimic that uses small soluble proteins to recapitulate the binding and wavelength tuning of the native opsins provides a new platform for studying protein-regulated spectral tuning. The ability to achieve far-red shifted absorption in the rhodopsin mimic system was attributed to a combination of the lack of a counteranion proximal to the iminium, and a uniformly neutral electrostatic environment surrounding the chromophore.

  12. Spectral interferometric microscopy reveals absorption by individual optical nanoantennas from extinction phase

    PubMed Central

    Gennaro, Sylvain D.; Sonnefraud, Yannick; Verellen, Niels; Van Dorpe, Pol; Moshchalkov, Victor V.; Maier, Stefan A.; Oulton, Rupert F.

    2014-01-01

    Optical antennas transform light from freely propagating waves into highly localized excitations that interact strongly with matter. Unlike their radio frequency counterparts, optical antennas are nanoscopic and high frequency, making amplitude and phase measurements challenging and leaving some information hidden. Here we report a novel spectral interferometric microscopy technique to expose the amplitude and phase response of individual optical antennas across an octave of the visible to near-infrared spectrum. Although it is a far-field technique, we show that knowledge of the extinction phase allows quantitative estimation of nanoantenna absorption, which is a near-field quantity. To verify our method we characterize gold ring-disk dimers exhibiting Fano interference. Our results reveal that Fano interference only cancels a bright mode’s scattering, leaving residual extinction dominated by absorption. Spectral interference microscopy has the potential for real-time and single-shot phase and amplitude investigations of isolated quantum and classical antennas with applications across the physical and life sciences. PMID:24781663

  13. Spectral interferometric microscopy reveals absorption by individual optical nanoantennas from extinction phase.

    PubMed

    Gennaro, Sylvain D; Sonnefraud, Yannick; Verellen, Niels; Van Dorpe, Pol; Moshchalkov, Victor V; Maier, Stefan A; Oulton, Rupert F

    2014-04-30

    Optical antennas transform light from freely propagating waves into highly localized excitations that interact strongly with matter. Unlike their radio frequency counterparts, optical antennas are nanoscopic and high frequency, making amplitude and phase measurements challenging and leaving some information hidden. Here we report a novel spectral interferometric microscopy technique to expose the amplitude and phase response of individual optical antennas across an octave of the visible to near-infrared spectrum. Although it is a far-field technique, we show that knowledge of the extinction phase allows quantitative estimation of nanoantenna absorption, which is a near-field quantity. To verify our method we characterize gold ring-disk dimers exhibiting Fano interference. Our results reveal that Fano interference only cancels a bright mode's scattering, leaving residual extinction dominated by absorption. Spectral interference microscopy has the potential for real-time and single-shot phase and amplitude investigations of isolated quantum and classical antennas with applications across the physical and life sciences.

  14. Experimental study of neutrino absorption on carbon

    SciTech Connect

    Krakauer, D.A.; Talaga, R.L. ); Allen, R.C.; Chen, H.H.; Hausammann, R.; Lee, W.P.; Mahler, H.J.; Lu, X.Q.; Wang, K.C. ); Bowles, T.J.; Burman, R.L.; Carlini, R.D.; Cochran, D.R.F.; Doe, P.J.; Frank, J.S.; Piasetzky, E.; Potter, M.E.; Sandberg, V.D. )

    1992-05-01

    The process of electron emission from {similar to}30 MeV neutrino absorption on carbon, {sup 12}C({nu}{sub {ital e}},{ital e}{sup {minus}}){sup 12}N, has been observed. The flux-weighted total cross section for the exclusive neutrino-induced nuclear transition {sup 12}C({nu}{sub {ital e}},{ital e}{sup {minus}}){sup 12}N(g.s.) is (1.05{plus minus}0.10(stat){plus minus}0.10(syst)){times}10{sup {minus}41} cm{sup 2}. The measured cross section and angular distribution {ital d}{sigma}/{ital d}{Omega} are in agreement with theoretical estimates. The inclusive {nu}{sub {ital e}} {sup 12}C reaction rate, which accounted for the majority of all neutrino interactions observed in this experiment, was determined from a detailed fit of energy and angular distributions for the observed electrons. The inclusive {sup 12}C({nu}{sub {ital e}},{ital e}{sup {minus}}){ital X} cross section is measured to be (1.41{plus minus}0.23(tot)){times}10{sup {minus}41} cm{sup 2}. An upper limit for the sum of the {sup 13}C({nu}{sub {ital e}},{ital e}{sup {minus}}){ital X}+{sup 27}Al({nu}{sub {ital e}},{ital e}{sup {minus}}){ital X} inclusive absorption cross sections is presented.

  15. Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy.

    PubMed

    Shelby, Megan L; Lestrange, Patrick J; Jackson, Nicholas E; Haldrup, Kristoffer; Mara, Michael W; Stickrath, Andrew B; Zhu, Diling; Lemke, Henrik T; Chollet, Matthieu; Hoffman, Brian M; Li, Xiaosong; Chen, Lin X

    2016-07-20

    Photoexcited Nickel(II) tetramesitylporphyrin (NiTMP), like many open-shell metalloporphyrins, relaxes rapidly through multiple electronic states following an initial porphyrin-based excitation, some involving metal centered electronic configuration changes that could be harnessed catalytically before excited state relaxation. While a NiTMP excited state present at 100 ps was previously identified by X-ray transient absorption (XTA) spectroscopy at a synchrotron source as a relaxed (d,d) state, the lowest energy excited state (J. Am. Chem. Soc., 2007, 129, 9616 and Chem. Sci., 2010, 1, 642), structural dynamics before thermalization were not resolved due to the ∼100 ps duration of the available X-ray probe pulse. Using the femtosecond (fs) X-ray pulses of the Linac Coherent Light Source (LCLS), the Ni center electronic configuration from the initial excited state to the relaxed (d,d) state has been obtained via ultrafast Ni K-edge XANES (X-ray absorption near edge structure) on a time scale from hundreds of femtoseconds to 100 ps. This enabled the identification of a short-lived Ni(I) species aided by time-dependent density functional theory (TDDFT) methods. Computed electronic and nuclear structure for critical excited electronic states in the relaxation pathway characterize the dependence of the complex's geometry on the electron occupation of the 3d orbitals. Calculated XANES transitions for these excited states assign a short-lived transient signal to the spectroscopic signature of the Ni(I) species, resulting from intramolecular charge transfer on a time scale that has eluded previous synchrotron studies. These combined results enable us to examine the excited state structural dynamics of NiTMP prior to thermal relaxation and to capture intermediates of potential photocatalytic significance.

  16. Ionization yield and absorption spectra reveal superexcited Rydberg state relaxation processes in H2O and D2O

    NASA Astrophysics Data System (ADS)

    Fillion, J.-H.; Dulieu, F.; Baouche, S.; Lemaire, J.-L.; Jochims, H. W.; Leach, S.

    2003-07-01

    The absorption cross section and the ionization quantum yield of H2O have been measured using a synchrotron radiation source between 9 and 22 eV. Comparison between the two curves highlights competition between relaxation processes for Rydberg states converging to the first tilde A 2A 1 and to the second tilde B 2B 2 excited states of H2O+. Comparison with D2O absorption and ionization yields, derived from Katayama et al (1973 J. Chem. Phys. 59 4309), reveals specific energy-dependent deuteration effects on competitive predissociation and autoionization relaxation channels. Direct ionization was found to be only slightly affected by deuteration.

  17. Radiant energy absorption studies for laser propulsion. [gas dynamics

    NASA Technical Reports Server (NTRS)

    Caledonia, G. E.; Wu, P. K. S.; Pirri, A. N.

    1975-01-01

    A study of the energy absorption mechanisms and fluid dynamic considerations for efficient conversion of high power laser radiation into a high velocity flow is presented. The objectives of the study are: (1) to determine the most effective absorption mechanisms for converting laser radiation into translational energy, and (2) to examine the requirements for transfer of the absorbed energy into a steady flow which is stable to disturbances in the absorption zone. A review of inverse Bremsstrahlung, molecular and particulate absorption mechanisms is considered and the steady flow and stability considerations for conversion of the laser power to a high velocity flow in a nozzle configuration is calculated. A quasi-one-dimensional flow through a nozzle was formulated under the assumptions of perfect gas.

  18. Energy absorption studied to reduce aircraft crash forces

    NASA Technical Reports Server (NTRS)

    1981-01-01

    The NASA/FAA aircraft safety reseach programs for general aviation aircraft are discussed. Energy absorption of aircraft subflooring and redesign of interior flooring are being studied. The testing of energy absorbing configurations is described. The three NASA advanced concepts performed at neary the maximum possible amount of energy absorption, and one of two minimum modifications concepts performed well. Planned full scale tests are described. Airplane seat concepts are being considered.

  19. Percutaneous absorption of methimazole: an in vitro study of the absorption pharmacokinetics for two different vehicles.

    PubMed

    Hill, K E; Mills, P C; Jones, B R; Bolwell, C F; Aberdein, D; Chambers, J P

    2015-12-01

    The use of transdermal medications in cats has become popular in veterinary medicine due to the ease of administration compared to oral medication. However, the research to support systemic absorption of drugs applied to the pinna after transdermal administration in cats is limited. The aim of this study was to characterize the percutaneous absorption pharmacokinetics of methimazole in a lipophilic vehicle compared to methimazole in Pluronic(®) lecithin organogel (PLO) using a finite dose applied to feline ear skin in an in vitro Franz cell model. The two formulations of methimazole (10 mg) were applied to the inner stratum corneum of six pairs of feline ears. The receptor medium was sampled up to 30 h post-administration, and methimazole concentrations were measured using high-performance liquid chromatography (HPLC). Histological examination of all ears was undertaken as small differences in the thickness of ear skin may have contributed to inter-individual differences in methimazole absorption between six cats. Methimazole was absorbed more completely across the pinnal skin when administered in the lipophilic vehicle compared to administration in the PLO gel (P < 0.001).

  20. Solvent drag effect in drug intestinal absorption. II. Studies on drug absorption clearance and water influx.

    PubMed

    Karino, A; Hayashi, M; Awazu, S; Hanano, M

    1982-09-01

    In order to study the solvent drag effect, it was shown that back flux of absorbed drug from blood to intestinal lumen can be ignored but the back flux of water cannot. Then, apparent water influx was calculated as a new measure of solvent drag based on the model in which the back flux of D2O from blood to lumen was considered during absorption. Consequently, the correlation between drug absorption clearance (CLdrug) and apparent water influx was highly significant for benzoic acid, salicylic acid, p-hydroxybenzoic acid, antipyrine, cephalexin (CEX) and cefroxadine (CXD), resulting the high solvent drag effects were detected. The mean values of the slopes in the regression lines of CLdrug versus apparent water influx, i.e., sieving coefficients, were smaller than one for benzoic acid and salicylic acid, but the values were not significantly different from one. The sieving coefficients of the other drugs were significantly smaller than one. From these results, the molecular size dependence in the reflection from the intestinal membrane during absorption was clearly shown. And the intercepts of the regression lines including diffusive permeabilities were found to be significantly different from zero in CEX and CXD. On the basis of the sieving coefficients and intercept values obtained in such ways, the appropriateness of this model was discussed.

  1. Study report on a double isotope method of calcium absorption

    NASA Technical Reports Server (NTRS)

    1978-01-01

    Some of the pros and cons of three methods to study gastrointestinal calcium absorption are briefly discussed. The methods are: (1) a balance study; (2) a single isotope method; and (3) a double isotope method. A procedure for the double isotope method is also included.

  2. In vivo studies of biotin absorption in distal rat intestine

    SciTech Connect

    Bowman, B.B.; Rosenberg, I.H.

    1986-03-01

    The authors have extended their previous studies of biotin absorption in rat proximal jejunum (PJ) to examine biotin absorptive capacity of rat ileum (I) and proximal colon (PC) using in vivo intestinal loop technique. Intestinal loops (2.5 cm) were filled with 0.3 ml of solution containing (/sup 3/H)-biotin and (/sup 14/C)-inulin in phosphate buffer, pH 6.5. Biotin absorption was determined on the basis of luminal biotin disappearance after correction for inulin recovery and averaged (pmol/loop-10 min; X +/- SEM). In related experiments, 5-cm loops of PJ, distal I (DI), or PC were filled with 0.5 ml of solution of similar composition (1.0 ..mu..M biotin). The abdominal cavity was closed and the rats were allowed to recover from anesthesia, then sacrificed 3 hr after injection. Biotin absorption averaged 96.2% (PJ), 93.2% (DI), and 25.8% (PC) of the dose administered. These differences were reflected in the radioactive biotin content of plasma and intestinal loop, kidney, and liver. These data demonstrate significant biotin absorption in rat DI and PC, as required if the intestinal microflora are to be considered as a source of biotin for the host.

  3. Theoretical study on absorption and emission spectra of adenine analogues.

    PubMed

    Liu, Hongxia; Song, Qixia; Yang, Yan; Li, Yan; Wang, Haijun

    2014-04-01

    Fluorescent nucleoside analogues have attracted much attention in studying the structure and dynamics of nucleic acids in recent years. In the present work, we use theoretical calculations to investigate the structural and optical properties of four adenine analogues (termed as A1, A2, A3, and A4), and also consider the effects of aqueous solution and base pairing. The results show that the fluorescent adenine analogues can pair with thymine to form stable H-bonded WC base pairs. The excited geometries of both adenine analogues and WC base pairs are similar to the ground geometries. The absorption and emission maxima of adenine analogues are greatly red shifted compared with nature adenine, the oscillator strengths of A1 and A2 are stronger than A3 and A4 in both absorption and emission spectra. The calculated low-energy peaks in the absorption spectra are in good agreement with the experimental data. In general, the aqueous solution and base pairing can slightly red-shift both the absorption and emission maxima, and can increase the oscillator strengths of absorption spectra, but significantly decrease the oscillator strengths of A3 in emission spectra.

  4. Interactions of praseodymium and neodymium with nucleosides and nucleotides: absorption difference and comparative absorption spectral study.

    PubMed

    Misra, S N; Anjaiah, K; Joseph, G; Abdi, S H

    1992-02-01

    The interactions of praseodymium(III) and neodymium(III) with nucleosides and nucleotides have been studied in different stoichiometry in water and water-DMF mixtures by employing absorption difference and comparative absorption spectrophotometry. The 4f-4f bands were analysed by linear curve analysis followed by gaussian curve analysis, and various spectral parameters were computed, using partial and multiple regression method. The magnitude of changes in both energy interaction and intensity were used to explore the degree of outer and inner sphere coordination, incidence of covalency and the extent of metal 4f-orbital involvement in chemical bonding. Crystalline complexes of the type [Ln(nucleotide)2(H2O)2]- (where nucleotide--GMP or IMP) were characterized by IR, 1H NMR, 31P NMR data. These studies indicated that the binding of the nucleotide is through phosphate oxygen in a bidentate manner and the complexes undergo substantial ionisation in aqueous medium, thereby supporting the observed weak 4f-4f bands and lower values for nephelauxetic effect (1-beta), bonding (b) and covalency (delta) parameters derived from coulombic and spin orbit interaction parameters.

  5. Auto-oligomerization and hydration of pyrrole revealed by x-ray absorption spectroscopy

    SciTech Connect

    Advanced Light Source; Schwartz, Craig P.; Uejio, Janel S.; Duffin, Andrew M.; England, Alice H.; Prendergast, David; Saykally, Richard J

    2009-05-29

    Near edge x-ray absorption fine structure (NEXAFS) spectra have been measured at the carbon and nitrogen K-edges of the prototypical aromatic molecule, pyrrole, both in the gas phase and when solvated in water, and compared with spectra simulated using a combination of classical molecular dynamics and first principles density functional theory in the excited state core hole approximation. The excellent agreement enabled detailed assignments. Pyrrole is highly reactive, particularly in water, and reaction products formed by the auto-oligomerization of pyrrole are identified. The solvated spectra have been measured at two different temperatures, indicating that the final states remain largely unaffected by both hydration and temperature. This is somewhat unexpected, since the nitrogen in pyrrole can donate a hydrogen bond to water.

  6. Electron paramagnetic resonance and optical absorption spectral studies on chalcocite

    NASA Astrophysics Data System (ADS)

    Reddy, S. Lakshmi; Fayazuddin, Md.; Frost, Ray L.; Endo, Tamio

    2007-11-01

    A chalcocite mineral sample of Shaha, Congo is used in the present study. An electron paramagnetic resonance (EPR) study on powdered sample confirms the presence of Mn(II), Fe(III) and Cu(II). Optical absorption spectrum indicates that Fe(III) impurity is present in octahedral structure whereas Cu(II) is present in rhombically distorted octahedral environment. Mid-infrared results are due to water and sulphate fundamentals.

  7. Electron paramagnetic resonance and optical absorption spectral studies on chalcocite.

    PubMed

    Reddy, S Lakshmi; Fayazuddin, Md; Frost, Ray L; Endo, Tamio

    2007-11-01

    A chalcocite mineral sample of Shaha, Congo is used in the present study. An electron paramagnetic resonance (EPR) study on powdered sample confirms the presence of Mn(II), Fe(III) and Cu(II). Optical absorption spectrum indicates that Fe(III) impurity is present in octahedral structure whereas Cu(II) is present in rhombically distorted octahedral environment. Mid-infrared results are due to water and sulphate fundamentals. PMID:17324611

  8. Absorption Reveals and Hydrogen Addition Explains New Interstellar Aldehydes: Propenal and Propanal

    NASA Technical Reports Server (NTRS)

    Hollis, J. M.; Jewell, P. R.; Lovas, F. J.; Remijan, A.; Mollendal, H.

    2004-01-01

    New interstellar molecules propenal (CH2CHCHO) and propanal (CH3CH2CHO) have been detected largely in absorption toward the star-forming region Sagittarius B2(N) by means of rotational transitions observed with the 100-m Green Bank Telescope (GBT) operating in the range of 18 GHz (lambda approximately 1.7 cm) to 26 GHz (lambda approximately 1.2 cm). The GBT was also used to observe the previously reported interstellar aldehyde propynal (HC2CHO) in Sagittarius B2(N) which is known for large molecules believed to form on interstellar grains. The presence of these three interstellar aldehydes toward Sagittarius B2(N) strongly suggests that simple hydrogen addition on interstellar grains accounts for successively larger molecular species: from propynal to propenal and from propenal to propanal. Energy sources within Sagittarius B2(N) likely permit the hydrogen addition reactions on grain surfaces to proceed. This work demonstrates that successive hydrogen addition is probably an important chemistry route in the formation of a number of complex interstellar molecules. We also searched for but did not detect the three-carbon sugar glyceraldehyde (CH2OHCHOHCHO).

  9. Experimental studies of a zeeman-tuned xenon laser differential absorption apparatus.

    PubMed

    Linford, G J

    1973-06-01

    A Zeeman-tuned cw xenon laser differential absorption device is described. The xenon laser was tuned by axial magnetic fields up to 5500 G generated by an unusually large water-cooled dc solenoid. Xenon laser lines at 3.37 micro, 3.51 micro, and 3.99 micro were tuned over ranges of 6 A, 6 A, and 11 A, respectively. To date, this apparatus has been used principally to study the details of formaldehyde absorption lines lying near the 3 .508-micro xenon laser transition. These experiments revealed that the observed absorption spectrum of formaldehyde exhibits a sufficiently unique spectral structure that the present technique may readily be used to measure relative concentrations of formaldehyde in samples of polluted air.

  10. Beta-decay studies using total absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    GSI-TAS Collaboration; LUCRECIA-TAgS Collaboration; Algora, A.; Batist, L.; Borge, M. J. G.; Cano-Ott, D.; Collatz, R.; Courtin, S.; Dessagne, Ph; Fraile, L. M.; Gadea, A.; Gelletly, W.; Hellström, M.; Janas, Z.; Jungclaus, A.; Kirchner, R.; Karny, M.; Le Scornet, G.; Miehé, Ch; Maréchal, F.; Moroz, F.; Nácher, E.; Poirier, E.; Roeckl, E.; Rubio, B.; Rykaczewski, K.; Tain, J. L.; Tengblad, O.; Wittmann, V.

    2003-04-01

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

  11. Cognitive Distance, Absorptive Capacity and Group Rationality: A Simulation Study

    PubMed Central

    Curşeu, Petru Lucian; Krehel, Oleh; Evers, Joep H. M.; Muntean, Adrian

    2014-01-01

    We report the results of a simulation study in which we explore the joint effect of group absorptive capacity (as the average individual rationality of the group members) and cognitive distance (as the distance between the most rational group member and the rest of the group) on the emergence of collective rationality in groups. We start from empirical results reported in the literature on group rationality as collective group level competence and use data on real-life groups of four and five to validate a mathematical model. We then use this mathematical model to predict group level scores from a variety of possible group configurations (varying both in cognitive distance and average individual rationality). Our results show that both group competence and cognitive distance are necessary conditions for emergent group rationality. Group configurations, in which the groups become more rational than the most rational group member, are groups scoring low on cognitive distance and scoring high on absorptive capacity. PMID:25314132

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

    SciTech Connect

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

    2015-01-12

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

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

  14. Biopharmaceutics classification and intestinal absorption study of apigenin.

    PubMed

    Zhang, Jianjun; Liu, Dapeng; Huang, Yanting; Gao, Yuan; Qian, Shuai

    2012-10-15

    The aim of the study was to characterize the biopharmaceutics classification system (BCS) category of apigenin (AP) using intrinsic dissolution rate (IDR) and rat intestinal permeability, and to investigate the intestinal absorption mechanism of AP in rats. In the present investigation, equilibrium solubility and intrinsic dissolution rate (IDR) of AP were estimated in phosphate buffers. Effective intestinal permeability (P(eff)) of AP was determined using single-pass intestinal perfusion (SPIP) technique in four segments (duodenum, jejunum, ileum and colon) of rat intestine at three concentrations (10, 50 and 100 μg/ml). The aqueous solubility of AP in tested phosphate buffers was very poor with maximum solubility of 2.16 μg/ml at pH 7.5. The IDR of AP was very low with a value of 0.006 mg/min/cm(2). The minimum and maximum P(eff)s determined by SPIP were 0.198×10(-4) and 0.713×10(-4) cm/s at jejunum and duodenum site, respectively. In addition, the concentration-dependent permeability behavior was observed in the duodenum and jejunum, which suggested that AP was transported by both passive and active carrier-mediated saturable mechanism in these two intestinal segments. However, the observed concentration-independent permeability behavior in ileum and colon indicated primarily passive transport mechanism of absorption of AP in the last two intestinal segments. AP was classified as class II drug of the BCS due to its low solubility and high intestinal permeability. AP could be well absorbed in the whole intestine with the main absorption site at duodenum. The absorption of AP in four intestinal segments exhibited different transport mechanisms.

  15. Pinning effects in ceramic SmO1-xFxFeAs as revealed by microwave absorption

    NASA Astrophysics Data System (ADS)

    Panarina, Nadezda Yu.; Talanov, Yurii I.; Shaposhnikova, Tatyana S.; Beysengulov, Niyaz R.; Vavilova, Evgenia; Behr, Günter; Kondrat, Agnieszka; Hess, Christian; Leps, Norman; Wurmehl, Sabine; Klingeler, Rüdiger; Kataev, Vladislav; Büchner, Bernd

    2010-06-01

    Modulated microwave absorption (MMA) measurements have revealed strong pinning of vortices in ceramic superconducting SmO1-xFxFeAs compounds with x=0.06 , 0.08, and 0.1. Different behavior of MMA in small and strong fields enables to discriminate between intergranular and intragranular effects. Irreversibility lines due to the intragranular pinning exhibit a steep ascent comparable with that of the YBa2Cu3O7 ceramics which is known to possess the highest pinning strength among cuprate high-temperature superconductors. A weak dependence of the critical current density on the magnetic field in the underdoped samples (x=0.06,0.08) indicates the presence of additional pinning centers. The analysis of the data together with the theoretical modeling yields a conclusion that strong pinning in SmO1-xFxFeAs is due to nonsuperconducting regions intermixed on a nanoscale with the superconducting phase.

  16. Multi-mode interference revealed by two photon absorption in silicon rich SiO{sub 2} waveguides

    SciTech Connect

    Manna, S. E-mail: mattia.mancinelli@unitn.it; Ramiro-Manzano, F.; Mancinelli, M. E-mail: mattia.mancinelli@unitn.it; Turri, F.; Pavesi, L.; Ghulinyan, M.; Pucker, G.

    2015-02-16

    Photoluminescence (PL) from Si nanocrystals (NCs) excited by two-photon absorption (TPA) has been observed in Si nanocrystal-based waveguides fabricated by plasma enhanced chemical vapor deposition. The TPA excited photoluminescence emission resembles the one-photon excited photoluminescence arising from inter-band transitions in the quantum confined Si nanocrystals. By measuring the non-linear transmission of waveguides, a large TPA coefficient of β up to 10{sup −8 }cm/W has been measured at 1550 nm. These values of β depend on the Si NCs size and are two orders of magnitude larger than the bulk silicon value. Here, we propose to use the TPA excited visible PL emission as a tool to map the spatial intensity profile of the 1550 nm propagating optical modes in multimode waveguides. In this way, multimode interference has been revealed experimentally and confirmed through a finite element simulation.

  17. Optical absorptance and thermomodulation studies of several A-15 compounds

    SciTech Connect

    McKee, R.C.

    1983-06-01

    The purpose of this work was to investigate the optical properties of several high T/sub c/ compounds in the form of sputtered films. The measurements are used toward this end: optical absorptance (using a calorimetric technique near 4.2K), which yields (after Kramers-Kronig analysis) the complex dielectric function, and thermoreflectance (which measures the change in reflectance in the optical range when a 1 to 10/sup 0/K temperature wave is applied), performed at two ambient temperatures (80 and 300/sup 0/K), yielding the differential dielectric function. The sputtered films included Nb/sub 3/Ge, Nb/sub 3/Al, V/sub 3/Ga and Nb/sub 3/Ir. It is noted that Nb/sub 3/Ir is not a high T/sub c/ superconductor. The thermoreflectance on the bulk samples V/sub 3/Si, V/sub 3/Ge and single crystal Cr/sub 3/Si were not performed because the samples were not in the form of thin films. The thermomodulation studies are correlated with the absorptance measurements in comparison to band structure calculations. When thermomodulation studies are performed on semiconductors, these studies yield information about critical points, but studies on metals indicate that Fermi-level transitions become important. It is thought that A-15 structured compounds, which have a high density of electron states around the Fermi level, will produce spectra due to this high density of states. Procedures and results are detailed.

  18. Infrared absorption study of neutron-transmutation-doped germanium

    NASA Technical Reports Server (NTRS)

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

    1988-01-01

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

  19. Absorption and fluorescent spectral studies of imidazophenazine derivatives.

    PubMed

    Ryazanova, O A; Zozulya, V N; Voloshin, I M; Karachevtsev, V A; Makitruk, V L; Stepanian, S G

    2004-07-01

    Absorption and fluorescent spectra as well as fluorescence polarization degree of imidazo-[4,5-d]-phenazine (F1) and its two modified derivatives, 2-trifluoridemethylimidazo-[4,5-d]-phenazine (F2) and 1,2,3-triazole-[4,5-d]-phenazine (F3), were investigated in organic solvents of various polarities and hydrogen bonding abilities. Extinction coefficients of F2 and F3 are increased, their fluorescence Stokes shifts are reduced in comparison with those for unmodified imidazophenazine. For F3 a red shift of the longwave absorption band is observed by 15-20 nm. Modifications of imidazophenazine have led to a sufficient increase of fluorescence polarization degrees that enables to use F2 and F3 as promising fluorescent probes with polarization method application. The configuration, atomic charge distribution and dipole moments of the isolated dye molecules in the ground state were calculated by the DFT method. The computation has revealed that ground state dipole moments of F1, F2, and F3 differ slightly and are equal to 3.5, 3.2, and 3.7D, respectively. The changes in dipole moments upon the optical excitation for all derivatives estimated using Lippert equation were found to be Deltamu = 9 D. The energies of the electronic S1<--S0 transition in solvents of different proton donor abilities were determined, and energetic diagram illustrating the substituent effect was plotted. For nucleoside analogs of these compounds, covalently incorporated into a nucleotide chain, we have considered a possibility to use them as fluorescent reporters of hybridization of antisense oligonucleotides, as well as molecular anchors for its stabilization. PMID:15248979

  20. Systematic trend of water vapour absorption in red giant atmospheres revealed by high resolution TEXES 12 μm spectra

    NASA Astrophysics Data System (ADS)

    Ryde, N.; Lambert, J.; Farzone, M.; Richter, M. J.; Josselin, E.; Harper, G. M.; Eriksson, K.; Greathouse, T. K.

    2015-01-01

    Context. The structures of the outer atmospheres of red giants are very complex. Recent interpretations of a range of different observations have led to contradictory views of these regions. It is clear, however, that classical model photospheres are inadequate to describe the nature of the outer atmospheres. The notion of large optically thick molecular spheres around the stars (MOLspheres) has been invoked in order to explain spectro-interferometric observations and low- and high-resolution spectra. On the other hand high-resolution spectra in the mid-IR do not easily fit into this picture because they rule out any large sphere of water vapour in LTE surrounding red giants. Aims: In order to approach a unified scenario for these outer regions of red giants, more empirical evidence from different diagnostics are needed. Our aim here is to investigate high-resolution, mid-IR spectra for a range of red giants, spanning spectral types from early K to mid M. We want to study how the pure rotational lines of water vapour change with effective temperature, and whether we can find common properties that can put new constraints on the modelling of these regions, so that we can gain new insights. Methods: We have recorded mid-IR spectra at 12.2 - 12.4 μm at high spectral resolution of ten well-studied bright red giants, with TEXES mounted on the IRTF on Mauna Kea. These stars span effective temperatures from 3450 K to 4850 K. Results: We find that all red giants in our study cooler than 4300 K, spanning a wide range of effective temperatures (down to 3450 K), show water absorption lines stronger than expected and none are detected in emission, in line with what has been previously observed for a few stars. The strengths of the lines vary smoothly with spectral type. We identify several spectral features in the wavelength region that are undoubtedly formed in the photosphere. From a study of water-line ratios of the stars, we find that the excitation temperatures, in the

  1. X-ray absorption studies of battery materials

    SciTech Connect

    McBreen, J.

    1996-10-01

    X-ray absorption spectroscopy (XAS) is ideal for {ital in}{ital situ} studies of battery materials because both the probe and signal are penetrating x rays. The advantage of XAS being element specific permits investigation of the environment of a constituent element in a composite material. This makes it very powerful for studying electrode additives and corrosion of individual components of complex metal hydride alloys. The near edge part of the spectrum (XANES) provides information on oxidation state and site symmetry of the excited atom. This is particularly useful in study of corrosion and oxidation changes in cathode materials during charge/discharge cycle. Extended fine structure (EXAFS) gives structural information. Thus the technique provides both chemical and structural information. Since XAS probes only short range order, it can be applied to study of amorphous electrode materials and electrolytes. This paper discusses advantages and limitations of the method, as well as some experimental aspects.

  2. Isoabsorption and spectrometric studies of optical absorption edge in Cu6AsS5I superionic crystal

    NASA Astrophysics Data System (ADS)

    Studenyak, I. P.; Kayla, M. I.; Kranjčec, M.; Kokhan, O. P.; Minets, Yu. V.

    2011-12-01

    Cu6AsS5I single crystals were grown using chemical vapour transport method. Two low-temperature phase transitions (PT) are observed from isoabsorption studies: a first-order PT at ТІ=153±1 K and a second-order PT in the temperature interval TІI=260-280 K. At low temperatures and high absorption levels an excitonic absorption band was revealed in the range of direct optical transitions. At Т>ТІ, the absorption edge has an exponential shape and a characteristic Urbach bundle is observed. The influence of the cationic P→As substitution on the parameters of the Urbach absorption edge, parameters of exciton-phonon interaction, and phase transitions temperatures are studied.

  3. [Study on oral absorption enhancers of astragalus polysaccharides].

    PubMed

    Chen, Xiao-Yun; Tan, Xiao-Bin; Sun, E; Liu, Dan; Jia, Xiao-Bin; Zhang, Zhen-Hai

    2014-04-01

    Astragalus polysaccharides was lounded to 4-(2-aminoethylphenol), followed by labeling the APS-Tyr with fluorescein-5-isothiocyanate (FITC) at the secondary amino group. The absorption enhancement effects of low molecular weight chitosan and protamine on astragalus polysaccharides were evaluated via Caco-2 cell culture model. The results show that the fluorecent labeling compound has good stability and high sensitivity. On the other hand low molecular weight chitosan and protamine also can promoted absorption of the astragalus polysaccharides without any cytotoxity, and the absorption increase was more significant with increasing the amount of low molecular weight chitosan and protamine. At the same time, the low molecular weight chitosan has slightly better effect. The transepithelial electric resistance (TEER) of Caco-2 cells show that absorption enhancers could improve its membrane transport permeability by opening tight junctions between cells and increasing the cell membrane fluidity.

  4. Millimeter-wave Absorption Studies of Molecules in Diffuse Clouds

    NASA Astrophysics Data System (ADS)

    Lucas, Robert; Liszt, Harvey S.

    1999-10-01

    With IRAM instruments in the last few years, we have been using compact extragalactic millimeter wave radio sources as background objects to study the absorption spectrum of diffuse interstellar gas at millimeter wavelengths. The molecular content of interstellar gas has turned out to be unexpectedly rich. Simple polyatomic molecules such as HCO+, C2H are quite ubiquitous near the Galactic plane (beta < 15o), and many species are detected in some directions (CO, HCO+, H2CO, HCN, HNC, CN, C2H, C3H2, H2S, CS, HCS+, SO, SiO). Remarkable proportionality relations are found between related species such as HCO+ and OH, or CN, HCN and HNC. The high abundance of some species is still a challenge for current models of diffuse cloud chemistry. A factor of 10 increase in the sensitivity will make such studies achievable in denser clouds, where the chemistry is still more active and where abundances are nowadays only available by emission measurements, and thus subject to uncertainties due to sometimes poorly understood line formation and excitation conditions.

  5. Povidone iodine skin absorption: an ex-vivo study.

    PubMed

    Nesvadbova, Martina; Crosera, Matteo; Maina, Giovanni; Larese Filon, Francesca

    2015-06-15

    Povidone iodine is a water-soluble complex used to disinfect the skin surface and it exerts prolonged germicidal action against a broad spectrum of germs. Indeed, it is often applied on burned skin, large wounds, deep tissues or mucosa. Notably some surgical hand-scrub solutions, which are considered safe antiseptics, contain large amounts of iodine that can be absorbed by skin. The aim of present study was to study the skin absorption of iodine after the application on the skin of povidone-iodine solution, used by health care workers during surgical procedure. We use Franz diffusion static cells with human skin. After 24h from the beginning of our measurement the iodine concentration in the receiving compartment was 11.59±6.3μg/cm(2). The medium flux calculated was 0.73±0.33μg/cm(2)/h with a lag time of 8.9±1.5h. These in vitro results confirmed that povidone iodine could pass through the skin in a relevant amount that can explain the clinical findings in burned or surgically treated patients. In professional use the repetitive contact with povidone iodine, also as soap, can cause iodine skin permeation that must be considered when the washing procedures are repeated more than 20 times a day.

  6. Povidone iodine skin absorption: an ex-vivo study.

    PubMed

    Nesvadbova, Martina; Crosera, Matteo; Maina, Giovanni; Larese Filon, Francesca

    2015-06-15

    Povidone iodine is a water-soluble complex used to disinfect the skin surface and it exerts prolonged germicidal action against a broad spectrum of germs. Indeed, it is often applied on burned skin, large wounds, deep tissues or mucosa. Notably some surgical hand-scrub solutions, which are considered safe antiseptics, contain large amounts of iodine that can be absorbed by skin. The aim of present study was to study the skin absorption of iodine after the application on the skin of povidone-iodine solution, used by health care workers during surgical procedure. We use Franz diffusion static cells with human skin. After 24h from the beginning of our measurement the iodine concentration in the receiving compartment was 11.59±6.3μg/cm(2). The medium flux calculated was 0.73±0.33μg/cm(2)/h with a lag time of 8.9±1.5h. These in vitro results confirmed that povidone iodine could pass through the skin in a relevant amount that can explain the clinical findings in burned or surgically treated patients. In professional use the repetitive contact with povidone iodine, also as soap, can cause iodine skin permeation that must be considered when the washing procedures are repeated more than 20 times a day. PMID:25858112

  7. [Study of retrieving formaldehyde with differential optical absorption spectroscopy].

    PubMed

    Li, Yu-Jin; Xie, Pin-Hua; Qin, Min; Qu, Xiao-Ying; Hu, Lin

    2009-01-01

    The present paper introduces the method of retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS). The authors measured ambient HCHO in Beijing region with the help of differential optical absorption spectroscopy instrument made by ourself, and discussed numerous factors in retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS), especially, the choice of HCHO wave band, how to avoid absorption of ambient SO2, NO2 and O3, and the influence of the Xenon lamp spectrum structure on the absorption of ambient HCHO. The authors achieved the HCHO concentration by simultaneously retrieving the concentrations of HCHO, SO2, NO2 and O3 with non-linear least square fitting method, avoiding the effect of choosing narrow wave of HCHO and the residual of SO2, NO2, O3 and the Xenon lamp spectrum structure in retrieving process to attain the concentration of HCHO, Finally the authors analyzed the origin of error in retrieving the concentration of HCHO with differential optical absorption spectroscopy (DOAS), and the total error is within 13.7% in this method. PMID:19385238

  8. Theoretical study on absorption and emission spectra of pyrrolo-C analogues

    NASA Astrophysics Data System (ADS)

    Liu, Hongxia; Liu, Jianhua; Yang, Yan; Li, Yan; Wang, Haijun

    2015-01-01

    Fluorescent nucleoside analogues have attracted much attention in studying the structure and dynamics of nucleic acids in recent years. In the present work, we use theoretical calculations to investigate the structural and optical properties of Pyrrolo-C (PyC) and its analogues which are modified via the conjugation or fusion of different aromatic ring to the PyC core. We also consider the effects of aqueous solution and base pairing. The results show that the fluorescent pyrrolo-C analogues can pair with guanosine to form stable H-bonded WC base pairs. The calculated absorption peaks of modified deoxyribonucleosides agree well with the measured data. The absorption and emission maxima of the pyrrolo-C analogues are greatly red shifted compared with nature C. The solvent effects can induce wavelength blue shift and increase the oscillator strengths in both the absorption and emission spectra. With regard to the WC base pairs, the B3LYP functional reveals that the lowest energy transitions of modified GC base pairs are charge transfer excitation while the CAM-B3LYP functional predicts that all the lowest transitions are localised on the pyrrolo-C analogues. The M062X and CAM-B3LYP functionals show good agreement with respect to both the value of the lowest energy transitions as well as the oscillator strengths.

  9. Light Scattering and Absorption Studies of Sickle Cell Hemoglobin

    NASA Astrophysics Data System (ADS)

    Kim-Shapiro, Daniel

    1997-11-01

    The use of physical techniques has been very important in understanding the pathophysiology of sickle cell disease. In particular, light scattering and absorption studies have been used to measure the kinetics of sickle cell hemoglobin polymerization and depolymerization (melting). The theory of sickle cell polymerization that has been derived and tested by these methods has not only led to an increased understanding of the pathophysiology of the disease but has also led to improved treatment strategies. Sickle cell disease effects about 1 out of 600 people of African descent born in the United States. The disease is caused by a mutant form of hemoglobin (the oxygen transporting molecule in the blood), hemoglobin S (HbS), which differs from normal adult hemoglobin by the substitution of a single amino acid for another. The polymerization of HbS, which occurs under conditions of low oxygen pressure, causes distortion and increased rigidity of the sickle red blood cell that leads to blockage of the capillaries and a host of resulting complications. The disease is associated with tissue damage, severe painful crises and a high degree of mortality. Light scattering studies of purified HbS and whole cells (conducted by F.A. Ferrone, J. Hofrichter, W.A. Eaton, and their associates) have been used to determine the mechanism of HbS polymerization. Polymerization will generally not occur when the hemoglobin is in an oxygen-rich environment. The question is, when HbS is rapidly deoxygenated (as it is when going from the lungs to the tissues) what is the kinetics of polymerization? Photolysis methods were used to rapidly deoxygenate HbS and light scattering was used as a function of time to measure the kinetics of polymerization. Polarized light scattering may be a more effective way to measure polymer content than total intensity light scattering. It was found that no polymerization occurs during a period of time called the delay time and subsequent polymerization occurs

  10. EPR, optical absorption and luminescence studies of Cr3+-doped antimony phosphate glasses

    NASA Astrophysics Data System (ADS)

    De Vicente, F. S.; Santos, F. A.; Simões, B. S.; Dias, S. T.; Siu Li, M.

    2014-12-01

    Antimony phosphate glasses (SbPO) doped with 3 and 6 mol% of Cr3+ were studied by Electron Paramagnetic Resonance (EPR), UV-VIS optical absorption and luminescence spectroscopy. The EPR spectra of Cr3+-doped glasses showed two principal resonance signals with effective g values at g = 5.11 and g = 1.97. UV-VIS optical absorption spectra of SbPO:Cr3+ presented four characteristics bands at 457, 641, 675, and 705 nm related to the transitions from 4A2(F) to 4T1(F), 4T2(F), 2T1(G), and 2E(G), respectively, of Cr3+ ions in octahedral symmetry. Optical absorption spectra of SbPO:Cr3+ allowed evaluating the crystalline field Dq, Racah parameters (B and C) and Dq/B. The calculated value of Dq/B = 2.48 indicates that Cr3+ ions in SbPO glasses are in strong ligand field sites. The optical band gap for SbPO and SbPO:Cr3+ were evaluated from the UV optical absorption edges. Luminescence measurements of pure and Cr3+-doped glasses excited with 350 nm revealed weak emission bands from 400 to 600 nm due to the 3P1 → 1S0 electronic transition from Sb3+ ions. Cr3+-doped glasses excited with 415 nm presented Cr3+ characteristic luminescence spectra composed by two broad bands, one band centered at 645 nm (2E → 4A2) and another intense band from 700 to 850 nm (4T2 → 4A2).

  11. Mechanism of Formation of Copper(II) Chloro Complexes Revealed by Transient Absorption Spectroscopy and DFT/TDDFT Calculations.

    PubMed

    Mereshchenko, Andrey S; Olshin, Pavel K; Karabaeva, Kanykey E; Panov, Maxim S; Wilson, R Marshall; Kochemirovsky, Vladimir A; Skripkin, Mikhail Yu; Tveryanovich, Yury S; Tarnovsky, Alexander N

    2015-07-16

    Copper(II) complexes are extremely labile with typical ligand exchange rate constants on the order of 10(6)-10(9) M(-1) s(-1). As a result, it is often difficult to identify the actual formation mechanism of these complexes. In this work, using UV-vis transient absorption when probing in a broad time range (20 ps to 8 μs) in conjunction with DFT/TDDFT calculations, we studied the dynamics and underlying reaction mechanisms of the formation of extremely labile copper(II) CuCl4(2-) chloro complexes from copper(II) CuCl3(-) trichloro complexes and chloride ions. These two species, produced via photochemical dissociation of CuCl4(2-) upon 420 nm excitation into the ligand-to-metal-charge-transfer electronic state, are found to recombine into parent complexes with bimolecular rate constants of (9.0 ± 0.1) × 10(7) and (5.3 ± 0.4) × 10(8) M(-1) s(-1) in acetonitrile and dichloromethane, respectively. In dichloromethane, recombination occurs via a simple one-step addition. In acetonitrile, where [CuCl3](-) reacts with the solvent to form a [CuCl3CH3CN](-) complex in less than 20 ps, recombination takes place via ligand exchange described by the associative interchange mechanism that involves a [CuCl4CH3CN](2-) intermediate. In both solvents, the recombination reaction is potential energy controlled. PMID:26079181

  12. Theoretical Study of New Combined Absorption-Ejector Refrigeration System

    NASA Astrophysics Data System (ADS)

    Abed, A. M.; Sopian, K.; Alghoul, M. A.; Al-Shamani, A. N.; Ruslan, M. H.; Mat, S.

    2015-09-01

    An improved system of the new combined single stage absorption cycle operated with NH3/H2O as working fluid was performed. In order to enhance performance the cycle a new configuration of absorption system was utilized. The performances of two configurations of the combined absorption cycle were compared; a) with common solution heat exchanger and b) divided the streamline of solution heat exchanger to recover the internal heat. Based on the analysis, it has been shown that the second configuration a significant reduction of the required generator and absorber loads by about 20% and 17% respectively, with increased coefficient of performance (COP) about 12% compared to the first configuration. This improvement in the overall COP is found due to improve energy utilization efficiency significantly.

  13. Neuron absorption study and mid-IR optical excitations

    NASA Astrophysics Data System (ADS)

    Guo, Dingkai; Chen, Xing; Vadala, Shilpa; Leach, Jennie; Kostov, Yordan; Bewley, William W.; Kim, Chul-Soo; Kim, Mijin; Canedy, Chadwick L.; Merritt, Charles D.; Vurgaftman, Igor; Meyer, Jerry R.; Choa, Fow-Sen

    2012-02-01

    Neuronal optical excitation can provide non-contacting tools to explore brain circuitry and a durable stimulation interface for cardiac pacing and visual as well as auditory sensory neuronal stimulation. To obtain accurate absorption spectra, we scan the transmission of neurons in cell culture medium, and normalize it by subtracting out the absorption spectrum of the medium alone. The resulting spectra show that the main neuronal absorption peaks are in the 3000- 6000nm band, although there is a smaller peak near 1450nm. By coupling the output of a 3μm interband cascade laser (ICL) into a mid-IR fluorozirconate fiber, we can effectively deliver more than 1J/cm2 photon intensity to the excitation site for neuronal stimulation.

  14. Study on moisture absorption and sweat discharge of honeycomb polyester fiber

    NASA Astrophysics Data System (ADS)

    Feng, Aifen; Zhang, Yongjiu

    2015-07-01

    The moisture absorption and liberation properties of honeycomb polyester fiber were studied in order to understand its moisture absorption and sweat discharge. Through testing moisture absorption and liberation regains of honeycomb polyester fiber and normal polyester fiber in standard atmospheric conditions, their moisture absorption and liberation curves were depicted, and the regression equations of moisture regains to time during their reaching the balance of moisture absorption and moisture liberation were obtained according to the curves. Their moisture absorption and liberation rate curves were analyzed and the regression equations of the rates to time were obtained. The results shows that the moisture regain of honeycomb polyester fiber is much bigger than the normal polyester fiber's, and the initial moisture absorption and moisture liberation rates of the former are much higher than the latter's, so that the moisture absorbance and sweat discharge of honeycomb polyester fiber are excellent.

  15. Protonation effects on the UV/Vis absorption spectra of imatinib: A theoretical and experimental study

    NASA Astrophysics Data System (ADS)

    Grante, Ilze; Actins, Andris; Orola, Liana

    2014-08-01

    An experimental and theoretical investigation of protonation effects on the UV/Vis absorption spectra of imatinib showed systematic changes of absorption depending on the pH, and a new absorption band appeared below pH 2. These changes in the UV/Vis absorption spectra were interpreted using quantum chemical calculations. The geometry of various imatinib cations in the gas phase and in ethanol solution was optimized with the DFT/B3LYP method. The resultant geometries were compared to the experimentally determined crystal structures of imatinib salts. The semi-empirical ZINDO-CI method was employed to calculate the absorption lines and electronic transitions. Our study suggests that the formation of the extra near-UV absorption band resulted from an increase of imatinib trication concentration in the solution, while the rapid increase of the first absorption maximum could be attributed to both the formation of imatinib trication and tetracation.

  16. Poster 7: Could PAH or HAC explain the Titan's stratosphere absorption around 3.4 µm revealed by solar occultations?

    NASA Astrophysics Data System (ADS)

    Cordier, Daniel; Cours, Thibaud; Rey, Michael; Maltagliati, Luca; Seignovert, Benoit; Biennier, Ludovic

    2016-06-01

    In 2006, during Cassini's 10th flyby of Titan (T10), Bellucci et al. (2009) observed a solar occultation by Titan's atmosphere through the solar port of the Cassini/VIMS instrument. These authors noticed the existence of an unexplained additional absorption superimposed to the CH4 3.3 µm band. Because they were unable to model this absorption with gases, they attributed this intriguing feature to the signature of solid state organic components. Kim et al. (2011) revisited the data collected by Bellucci et al. (2009) and they considered the possible contribution of aerosols formed by hydrocarbon ices. They specifically took into account C2H6, CH4, CH3CN, C5H12 and C6H12 ices. More recently, Maltagliati et al. (2015) analyzed a set of four VIMS solar occultations, corresponding to flybys performed between January 2006 and September 2011 at different latitudes. They confirmed the presence of the 3.3 µm absorption in all occultations and underlined the possible importance of gaseous ethane, which has a strong plateau of absorption lines in that wavelength range.In this work, we show that neither hydrocarbon ices nor molecular C2H6 cannot satisfactorily explain the observed absorption. Our simulations speak in favor of an absorption due to the presence of PAH molecules or HAC in the stratosphere of Titan. PAH have been already considered by Lopes-Puertas et al. (2013) at altitudes larger than ˜900 km and tentatively identified in the stratosphere by Maltagliati et al. (2015); PAH and HAC are good candidates for Titan's aerosols precursors.

  17. Revealing electronic structure changes in Chevrel phase cathodes upon Mg insertion using X-ray absorption spectroscopy.

    PubMed

    Wan, Liwen F; Wright, Joshua; Perdue, Brian R; Fister, Timothy T; Kim, Soojeong; Apblett, Christopher A; Prendergast, David

    2016-06-29

    Following previous work predicting the electronic response of the Chevrel phase Mo6S8 upon Mg insertion (Thöle et al., Phys. Chem. Chem. Phys., 2015, 17, 22548), we provide the experimental proof, evident in X-ray absorption spectroscopy, to illustrate the charge compensation mechanism of the Chevrel phase compound during Mg insertion and de-insertion processes. PMID:27314253

  18. Studies on the absorption of sodium and chloride from the rumen of sheep.

    PubMed

    Martens, H; Blume, I

    1987-01-01

    The net absorption of Na and Cl from the temporarily isolated rumen of sheep was studied using an artificial ruminal fluid with different Na and K and constant Cl concentrations. The net absorption of Na and Cl was linearly correlated. The net absorption of Cl was abolished and a small net secretion was observed when no sodium was in the artificial rumen fluid. The net absorption of Na was significantly reduced under chloride free conditions. It is concluded that the active transport of Na and Cl is coupled. The mechanism of an Na-Cl cotransport can not be deduced from these studies.

  19. [Study on intestinal absorption of ingredients from different compatibilities of Shaoyao Gancao decoction].

    PubMed

    Ma, Ting-ting; He, Rui; Gong, Mu-xin; Xu, Yong-song; Li, Jing; Zhai, Yong-song; Wan, Guang

    2015-11-01

    To study the compatible mechanisms and compatible proportion of Shaoyao Gancao decoction, the intestinal absorption of main ingredients in Shaoyao Gancao decoction SG11 (Baishao-Zhigancao 1: 1) , SG31 (Baishao-Zhigancao 3: 1), Baishao water decoction S and Zhigancao (G) were investigated and compared using in vitro everted intestinal sac model and in situ single pass intestinal perfusion (SPIP) model. The concentration of paeoniflorin (PF), liquiritin (LQ) and mono-ammonium glycyrrhizinate (GL) in test samples and samples of intestinal sac and intestinal perfusion was determined by HPLC. The intestinal absorptive amount and absorption parameters were calculated. Results showed that in the everted intestinal sac model, three ingredients could be absorbed by duodenum, jejunum and ileum, and the absorption in the jejunum was best for all 3 ingredients. The absorption rate of three ingredients in SG11 was significantly higher than that in single decoction (P < 0.05), but had no significant difference compared with SG31. In SPIP model, the absorption rate constant K(a), the apparent absorption coefficient P(app) and the absorption rate of three ingredients in SG11 were significantly higher than those in single decoction. Parameters of PF and GL in SG11 were significantly higher than those in SG31, but had no differences of LQ. It proved that the compatibility of Baishao and Zhigancao could improve the intestinal absorption of PF, LQ and GL. The absorption of each ingredient in SG11 was better than that in SG31.

  20. Infrared band absorptance correlations and applications to nongray radiation. [mathematical models of absorption spectra for nongray atmospheres in order to study air pollution

    NASA Technical Reports Server (NTRS)

    Tiwari, S. N.; Manian, S. V. S.

    1976-01-01

    Various mathematical models for infrared radiation absorption spectra for atmospheric gases are reviewed, and continuous correlations for the total absorptance of a wide band are presented. Different band absorptance correlations were employed in two physically realistic problems (radiative transfer in gases with internal heat source, and heat transfer in laminar flow of absorbing-emitting gases between parallel plates) to study their influence on final radiative transfer results. This information will be applied to the study of atmospheric pollutants by infrared radiation measurement.

  1. Photoinduced Absorption and Transient Grating Studies of Conjugated Polymers.

    NASA Astrophysics Data System (ADS)

    Spiegel, Daniel Richard

    Most of the attributes that make conjugated polymers theoretically and technologically interesting derive from the electronic properties of the excited states. The well -known models which have successfully explained many of the solid state properties of these systems have emphasized the coupling of the electronic structure and the underlying lattice. Recently, it has become possible to obtain conjugated polymers in solution. In these systems, there exists an important parameter which is quenched in the solid state; namely, the entropy associated with the many different configurations in which a chain may exist. It becomes important, therefore, to examine to what extent the models that describe electronic processes in solid state conjugated polymers may be extended to solutions. Such questions are intimately tied to the macromolecular conformation favored by dissolved conjugated chains. In this thesis, soluble conjugated polymers are investigated using two CW pump-and-probe optical techniques. Both the solution and solid states have been investigated. First, results of spectroscopic CW resonant photoinduced absorption (PA) studies show that bipolarons are the preferred excitation for the storage of charge added via photoexcitation in thin films of poly(3-alkylthiophenes) (P3ATs). Additionally, resonant PA has also been carried out successfully in solutions of P3ATs dissolved in several different solvents. Based on the similarity of the photoinduced spectra in the solution and the solid state, it is concluded that bipolarons remain the preferred excitation in P3AT solutions. The dependences of the photoinduced signal on pump intensity, modulation frequency, and, in the case of solutions, polymer concentration are also reported. Secondly, two coherent crossed pump beams are used to create transient gratings within P3AT solutions, with excited states on the chains providing the optical contrast. The grating decay, after the pump beams are shut off, is monitored

  2. Total Absorption Study of Beta Decays Relevant for Nuclear Applications and Nuclear Structure

    SciTech Connect

    Algora, A.; Valencia, E.; Taín, J.L.; Jordan, M.D.; Agramunt, J.; Rubio, B.; Estevez, E.; Molina, F.; Montaner, A.; Guadilla, V.; Fallot, M.; Porta, A.; Zakari-Issoufou, A.-A.; Bui, V.M.; and others

    2014-06-15

    An overview is given of our activities related to the study of the beta decay of neutron rich nuclei relevant for nuclear applications. Recent results of the study of the beta decay of {sup 87,88}Br using a new segmented total absorption spectrometer are presented. The measurements were performed at the IGISOL facility using trap-assisted total absorption spectroscopy.

  3. Total Absorption Study of Beta Decays Relevant for Nuclear Applications and Nuclear Structure

    SciTech Connect

    Algora, A.; Valencia, E.; Tain, J. L.; Jordan, M. D.; Agramunt, J.; Rubio, B.; Estevez, E.; Molina, F.; Montaner, A.; Guadilla, V.; Fallot, M.; Podolyak, Zs.; Regan, P. H.; Gelletly, W.; Bowry, M.; Mason, P.; Farrelly, G. F.; Rissanen, J.; Eronen, T.; Moore, I.; Penttila, H.; Aysto, J.; Eloma, V.; Hakala, J.; Jokinen, A.; Kolkinen, V.; Reponen, M.; Sonnenschein, V.; Cano-Ott, D.; Martinez, T.; Mendoza, E.; Garcia, A. R.; Gomez-Hornillos, M. B.; Gorlychev, V.; Caballero-Folch, R.; Kondev, F. G.; Sonzogni, A. A.

    2014-06-01

    We present an overview of our activities related to the study of the beta decay of neutron rich nuclei relevant for nuclear applications. Recent results of the study of the beta decay of Br using a new segmented total absorption spectrometer are presented. Our measurements were performed at the IGISOL facility using trap-assisted total absorption spectroscopy.

  4. Total Absorption Study of Beta Decays Relevant for Nuclear Applications and Nuclear Structure

    NASA Astrophysics Data System (ADS)

    Algora, A.; Valencia, E.; Taín, J. L.; Jordan, M. D.; Agramunt, J.; Rubio, B.; Estevez, E.; Molina, F.; Montaner, A.; Guadilla, V.; Fallot, M.; Porta, A.; Zakari-Issoufou, A.-A.; Bui, V. M.; Rice, S.; Podolyák, Zs.; Regan, P. H.; Gelletly, W.; Bowry, M.; Mason, P.; Farrelly, G. F.; Rissanen, J.; Eronen, T.; Moore, I.; Penttilä, H.; Äystö, J.; Eloma, V.; Hakala, J.; Jokinen, A.; Kolkinen, V.; Reponen, M.; Sonnenschein, V.; Cano-Ott, D.; Martínez, T.; Mendoza, E.; Garcia, A. R.; Gomez-Hornillos, M. B.; Gorlychev, V.; Caballero-Folch, R.; Kondev, F. G.; Sonzogni, A. A.

    2014-06-01

    An overview is given of our activities related to the study of the beta decay of neutron rich nuclei relevant for nuclear applications. Recent results of the study of the beta decay of 87,88Br using a new segmented total absorption spectrometer are presented. The measurements were performed at the IGISOL facility using trap-assisted total absorption spectroscopy.

  5. Calorimetry study of microwave absorption of some solid materials.

    PubMed

    He, Chun Lin; Ma, Shao Jian; Su, Xiu Juan; Chen, Yan Qing; Liang, Yu Shi

    2013-01-01

    In practice, the dielectric constant of a material varies the applied frequency the material composition, particle size, purity, temperature, physical state (solid or liquid), and moisture content. All of these parameters might change during processing, therefore, it is difficult to predict how well a material will absorb microwave energy in a given process. When the temperature is measured by a digital thermometer, it could not accurately reflect the true temperature of the bulk materials, especially for mixed materials. Thus, in this paper we measured the microwave absorption characteristics of different materials by calorimetry. The microwave power levels, irradiation times, and masses of the materials were varied. It was difficult to predict the microwave energy absorption characteristics of reagent-grade inorganic compounds based on their color, metallic cation, or water stoichiometry. CuO, MnO2, Fe3O4, and MnSO4 x H2O (Taishan) strongly absorbed microwave energy. Most of the remaining inorganic compounds were poor absorbers, with silica hardly absorbing any microwave energy. Carbon-based materials had significantly different microwave absorption characteristics. Activated carbon and coke were especially sensitive to microwaves, but different types of coal were poor absorbers. The jamesonite concentrate absorbed microwave energy strongly, while the zinc concentrate was a poor absorber. PMID:24779227

  6. Calorimetry study of microwave absorption of some solid materials.

    PubMed

    He, Chun Lin; Ma, Shao Jian; Su, Xiu Juan; Chen, Yan Qing; Liang, Yu Shi

    2013-01-01

    In practice, the dielectric constant of a material varies the applied frequency the material composition, particle size, purity, temperature, physical state (solid or liquid), and moisture content. All of these parameters might change during processing, therefore, it is difficult to predict how well a material will absorb microwave energy in a given process. When the temperature is measured by a digital thermometer, it could not accurately reflect the true temperature of the bulk materials, especially for mixed materials. Thus, in this paper we measured the microwave absorption characteristics of different materials by calorimetry. The microwave power levels, irradiation times, and masses of the materials were varied. It was difficult to predict the microwave energy absorption characteristics of reagent-grade inorganic compounds based on their color, metallic cation, or water stoichiometry. CuO, MnO2, Fe3O4, and MnSO4 x H2O (Taishan) strongly absorbed microwave energy. Most of the remaining inorganic compounds were poor absorbers, with silica hardly absorbing any microwave energy. Carbon-based materials had significantly different microwave absorption characteristics. Activated carbon and coke were especially sensitive to microwaves, but different types of coal were poor absorbers. The jamesonite concentrate absorbed microwave energy strongly, while the zinc concentrate was a poor absorber.

  7. Study of nonlinear optical absorption properties of V2O5 nanoparticles in the femtosecond excitation regime

    NASA Astrophysics Data System (ADS)

    Molli, Muralikrishna; Bhat Kademane, Abhijit; Pradhan, Prabin; Sai Muthukumar, V.

    2016-08-01

    In this work, we report for the first time, the nonlinear optical absorption properties of vanadium pentoxide (V2O5) nanoparticles in the femtosecond excitation regime. V2O5 nanoparticles were synthesized through solution combustion technique. The as-synthesized samples were further characterized using XRD, FESEM, EDAX, TEM and UV-visible spectroscopy. X-ray diffraction results revealed the crystalline nature of the nanoparticles. Electron microscopy studies showed the size of the nanoparticles to be ~200 nm. Open-aperture z-scan technique was employed to study the nonlinear optical absorption behavior of the synthesized samples using a 100-fs laser pulses at 800 nm from a regeneratively amplified Ti: sapphire laser. The mechanism of nonlinear absorption was found to be a three-photon absorption process which was explained using the density of states of V2O5 obtained using density functional theory. These nanoparticles exhibit strong intensity-dependent nonlinear optical absorption and hence could be considered for optical-power-limiting applications.

  8. High-Pressure Evolution of Fe2O3 Electronic Structure Revealed by X-ray Absorption

    SciTech Connect

    Kao, Chi-Chang

    2011-08-12

    We report the first high pressure measurement of the Fe K-edge in hematite (Fe{sub 2}O{sub 3}) by X-ray absorption spectroscopy in partial fluorescence yield geometry. The pressure-induced evolution of the electronic structure as Fe{sub 2}O{sub 3} transforms from a high-spin insulator to a low-spin metal is reflected in the x-ray absorption pre-edge. The crystal field splitting energy was found to increase monotonically with pressure up to 48 GPa, above which a series of phase transitions occur. Atomic multiplet, cluster diagonalization, and density-functional calculations were performed to simulate the pre-edge absorption spectra, showing good qualitative agreement with the measurements. The mechanism for the pressure-induced phase transitions of Fe{sub 2}O{sub 3} is discussed and it is shown that ligand hybridization significantly reduces the critical high-spin/low-spin gap pressure.

  9. Absorption Line Studies and the Distribution of Neutral Gas in the Local Interstellar Medium

    NASA Technical Reports Server (NTRS)

    Bruhweiler, F. C.

    1984-01-01

    Previous published absorption line studies performed at ultraviolet and visual wavelengths are combined with new ultraviolet data in order to map out the distribution of HI within 150 pc of the Sun. Newly presented data for distances less than 50 pc further support the local cloud model as presented by Bruhweiler (1982). The Sun is embedded, near the edge of a diffuse cloud with total column density 2 x 10 to the 19th power/sq cm. Most observed directions within 50 pc away from the cloud body reveal trace amounts of gas (N)HI) approximately 10 to the 18th power/sq cm presumably arising in the outer skin of the local cloud. At greater distances (50 approximately or d approximately or 150 pc) most directions show significant absorption with N(HI) 10(19)/sq cm. Two directions, one toward the northern galactic pole (NGP), the other toward beta CMa exhibit unusually low HI column densities out to distances of 150 to 200 pc. However, substantial amounts of gas N(HI) 10 to the 19th power/sq cm, are seen toward the NGP at greater distances. The implicatons of these results on astronomy at wavelengths shortward of 912A are discussed.

  10. Molecular conformation changes in alkylthiol ligands as a function of size in gold nanoparticles: X-ray absorption studies

    SciTech Connect

    Ramallo-Lopez, J. M.; Giovanetti, L. J.; Requejo, F. G.; Isaacs, S. R.; Shon, Y. S.; Salmeron, M.

    2006-08-15

    The bonding of hexanethiols to gold nanoparticles of 1.5, 2.0, and 3 nm was studied using x-ray absorption near-edge spectroscopy (XANES) and extended x-ray absorption fine structure (EXAFS). The XANES spectra revealed that a substantial fraction of weakly bound hexanethiol molecules are present in addition to those forming covalent bonds with Au atoms. The weakly bound molecules can be removed by washing in dichloromethane. After removal of the weakly bound molecules the S K-edge XANES reveals peaks due to S-Au and S-C bonds with intensities that change as a function of particle size. Au L{sub 3}-edge EXAFS results indicate that these changes follow the changes in coordination number of Au to the S atoms at the surface of the particles.

  11. Reverse saturable absorption studies in polymerized indole - Effect of polymerization in the phenomenal enhancement of third order optical nonlinearity

    NASA Astrophysics Data System (ADS)

    Jayakrishnan, K.; Joseph, Antony; Bhattathiripad, Jayakrishnan; Ramesan, M. T.; Chandrasekharan, K.; Siji Narendran, N. K.

    2016-04-01

    We report our results on the identification of large order enhancement in nonlinear optical coefficients of polymerized indole and its comparative study with reference to its monomer counterpart. Indole monomer shows virtually little third order effects whereas its polymerized version exhibits phenomenal increase in its third order nonlinear optical parameters such as nonlinear refractive index and nonlinear absorption. Open aperture Z-scan trace of polyindole done with Q-switched Nd:YAG laser source (532 nm, 7 ns), shows β value as high as 89 cm/GW at a beam energy of 0.83 GW/cm2. Closed aperture Z-scan done at identical energies reveals nonlinear refractive index of the order of -3.55 × 10-17 m2/W. Band gap measurement of polyindole was done with UV-Vis absorption spectra and compared with that of Indole. FTIR spectra of the monomer and polymerized versions were recorded and relevant bond formations were confirmed from the characteristic peaks. Photo luminescent spectra were investigated to know the emission features of both molecules. Beam energy (I0) versus nonlinear absorption coefficient (β) plot indicates reverse saturable type of absorption behaviour in polyindole molecules. Degenerate Four Wave Mixing (DFWM) plot of polyindole reveals quite a cubic dependence between probe and phase conjugate signal and the resulting χ(3) is comparable with Z-scan results. Optical limiting efficiency of polyindole is comparable with certain derivatives of porphyrins, phthalocyanines and graphene oxides.

  12. Study of nonlinear optical absorption properties of Sb2Se3 nanoparticles in the nanosecond and femtosecond excitation regime

    NASA Astrophysics Data System (ADS)

    Molli, Muralikrishna; Pradhan, Prabin; Dutta, Devarun; Jayaraman, Aditya; Bhat Kademane, Abhijit; Muthukumar, V. Sai; Kamisetti, Venkataramaniah; Philip, Reji

    2016-05-01

    In this work, we report for the first time, the nonlinear optical absorption properties of antimony selenide (Sb2Se3) nanoparticles synthesized through solvothermal route. X-ray diffraction results revealed the crystalline nature of the nanoparticles. Electron microscopy studies revealed that the nanoparticles are in the range of 10-40 nm. Elemental analysis was performed using EDAX. The nanosecond optical limiting effect was characterized by using fluence-dependent transmittance measurements with 15-ns laser pulses at 532 and 1064 nm excitation wavelengths. Mechanistically, effective two-photon (2PA) absorption and nonlinear scattering processes were the dominant nonlinear processes at both the wavelengths. At 800 nm excitation in the femtosecond regime (100 fs), the nonlinear optical absorption was found to be a three-photon (3PA) process. Both 2PA and 3PA processes were explained using the band structure and density of states of Sb2Se3 obtained using density functional theory. These nanoparticles exhibit strong intensity-dependent nonlinear optical absorption and hence could be considered to have optical power-limiting applications in the visible range.

  13. Toward panchromatic organic functional molecules: density functional theory study on the electronic absorption spectra of substituted tetraanthracenylporphyrins.

    PubMed

    Qi, Dongdong; Jiang, Jianzhuang

    2011-12-01

    To achieve full solar spectrum absorption of organic dyes for organic solar cells and organic solar antenna collectors, a series of tetraanthracenylporphyrin derivatives including H(2)(TAnP), H(2)(α-F(4)TAnP), H(2)(β,β'-F(8)TAnP), H(2)(γ,γ'-F(8)TAnP), H(2)(δ,δ'-F(8)TAnP), H(2)[α-(NH(2))(4)TAnP], H(2)[β,β'-(NH(2))(8)TAnP], H(2)[γ,γ'-(NH(2))(8)TAnP], and H(2)[δ,δ'-(NH(2))(8)TAnP] was designed and their electronic absorption spectra were systematically studied on the basis of TDDFT calculations. The nature of the broad and intense electronic absorptions of H(2)(TAnP) in the range of 500-1700 nm is clearly revealed, and different types of π → π* electronic transitions associated with different absorption bands are revealed to correspond to different electron density moving direction between peripherally fused 14-electron-π-conjugated anthracene units and the central 18-electron-π-conjugated porphyrin core. Introduction of electron-donating groups onto the periphery of the H(2)(TAnP) macrocycle is revealed to be able to lead to novel NIR dyes such as H(2)[α-(NH(2))(4)TAnP] and H(2)[δ,δ'-(NH(2))(8)TAnP] with regulated UV-vis-NIR absorption bands covering the full solar spectrum in the range of 300-2400 nm.

  14. Iron absorption in raw and cooked bananas: A field study using stable isotopes in women

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Banana is a staple food in many regions with high iron deficiency and may be a potential vehicle for iron fortification. However, iron absorption from bananas is not known. The objective of this study was to evaluate total iron absorption from raw and cooked bananas. Thirty women (34.9 +/- 6.6 years...

  15. Case study for a high temperature ultraviolet absorption hygrometer

    SciTech Connect

    Gersh, M.E.; Bangert, M. ); Matthew, M.W. ); Lowe, R. )

    1989-10-01

    The motivation for this program is the observation that the use of reliable and accurate hygrometers to monitor or control the processes in industrial drying chambers could result in a significant reduction in the energy usage of the United States. At the present time, there are no commercially available hygrometers which have the required characteristics of a measurement capability at simultaneously high temperature and humidity, along with the ability to operate for long periods in a severely contaminating and/or particle-laden environment. The goal of this program was the development of an industrial hygrometer which can be employed to monitor the humidity during industrial drying operations. This requires a device which can operate at temperatures up to 500{degree}C, at high humidity (50--100%), and in environments containing particulates and/or fouling or corrosive vapors. The approach taken by Spectral Sciences, Inc. (SSI) for the development of a practical hygrometer for these operational conditions is the use of the differential absorption of light by water vapor. Light absorbed at two ultraviolet (UV) wavelengths determines the absolute humidity (measurement of temperature by conventional means also permits the determination of relative humidity). Due to the use of this principle to measure the humidity, we have termed this instrument an Ultraviolet Absorption Hygrometer (UVAH). 11 figs.

  16. Preliminary studies of absorption and excretion of benoxaprofen in man.

    PubMed Central

    Smith, G L; Goulbourn, R A; Burt, R A; Chatfield, D H

    1977-01-01

    1 Benoxaprofen is a new acidic anti-inflammatory compound which was well absorbed after oral administration to man. 2 Single doses of 100, 200 and 400 mg produced mean peak concentrations in the plasma of 13.0, 33.5 and 45.3 microgram respectively, and the plasma half-life of the compound was between 30 and 35 hours. 3 Multiple dosing with 25 and 50 mg every 24 h achieved an equilibrium conentration in the plasma after 6-8 days, while dosing with 100 mg every 12 h enabled equilibrium to be reached in 3-6 days. Plasma concentrations between 35 and 45 microgram/ml were achieved by giving 100 mg doses every 12 hours. 4 Absorption of benoxaprofen was delayed when the drug was given with food, but the total amount absorbed remained the same. 5 The effect of milling the material to small particle size (19 micron) was to increase the rate of absorption compared to that of unmilled material (58 micron). 6 Benoxaprofen was well tolerated by healthy male subject in the doses given. PMID:303115

  17. Displacive phase-transition of cuprite Ag2O revealed by extended x-ray absorption fine structure

    NASA Astrophysics Data System (ADS)

    Sanson, Andrea

    2016-08-01

    The low-temperature phase-transition of silver oxide (Ag2O) has been investigated by extended x-ray absorption fine structure (EXAFS) spectroscopy as a function of temperature. The thermal evolution of the local structure around Ag atoms has been determined. In particular, below the phase-transition temperature at ∼35 K, a progressive splitting of the Ag-Ag next-nearest-neighbor distances is observed. This definitely supports the idea that the phase-transition of Ag2O is due to displacive disorder of the Ag atoms.

  18. Gamma resonance absorption. New approach in human body composition studies.

    PubMed

    Wielopolski, L; Vartsky, D; Pierson, R; Goldberg, M; Heymsfield, S; Yasumura, S; Melnychuk, S T; Sredniawski, J

    2000-05-01

    The main stream of body elemental analysis is based on the delayed, prompt, and inelastic neutron interactions with the main elements found in the human body, and subsequent analysis of the measured delayed or prompt gamma ray spectra. This methodology traditionally was, and still is, applied for whole body analysis and requires relatively high radiation doses. A new method, based on gamma nuclear resonance absorption (GNRA), is being established at Brookhaven National Laboratory as part of its body composition program. The method is element specific with a high tomographic spatial-resolution capability, at a small fraction of the radiation dose used in the current system. The new system, with its components and capabilities, is described below. PMID:10865747

  19. Intestinal perfusion studies in tropical sprue. 1. Amino acid and dipeptide absorption.

    PubMed Central

    Hellier, M D; Radhakrishnan, A N; Ganapathy, V; Mathan, V I; Baker, S J

    1976-01-01

    Intestinal absorption of glycine 20 mmol/1, glycyl-glycine 10 mmol/1 plus L-leucine 10 mmol/1, and glycyl-L-leucine 10 mmol/1 has been studied by intestinal perfusion in 11 patients with tropical sprue and 10 control subjects. The patients with sprue had a significant reduction in the rate of absorption of glycine from a 20 mmol/1 solution, but there were no significant differences in the absorption of the other substances. The failure to demonstrate any difference in the absorption of these substances is probably related to their low concentration relative to the maximum absorptive capacity of the intestine. In both groups of subjects the kinetic advantage of glycyl-glycine absorption as compared with glycine absorption was maintained. When the dipeptides were perfused, free amino acids appeared in the perfusate presumably by "back diffusion" from the mucosal cells. In the case of glycyl-L-leucine considerably more glycine and leucine were found in the perfusate in patients with sprue than in the control subjects. There was no correlation between peptide absorption and the concentration of total glycly-glycine hydrolase and glycyl-L-leucine hydrolase, measured as combined brush border and cytosol enzymes. The concentrations of these enzymes were similar in both groups of subjects. PMID:964683

  20. Transcriptional analysis of porcine intestinal mucosa infected with Salmonella Typhimurium revealed a massive inflammatory response and disruption of bile acid absorption in ileum.

    PubMed

    Uribe, Juber Herrera; Collado-Romero, Melania; Zaldívar-López, Sara; Arce, Cristina; Bautista, Rocío; Carvajal, Ana; Cirera, Susanna; Claros, M Gonzalo; Garrido, Juan J

    2016-01-07

    Infected pork meat is an important source of non-typhoidal human salmonellosis. Understanding of molecular mechanisms involved in disease pathogenesis is important for the development of therapeutic and preventive strategies. Thus, hereby we study the transcriptional profiles along the porcine intestine during infection with Salmonella Typhimurium, as well as post-transcriptional gene modulation by microRNAs (miRNA). Sixteen piglets were orally challenged with S. Typhimurium. Samples from jejunum, ileum and colon, collected 1, 2 and 6 days post infection (dpi) were hybridized to mRNA and miRNA expression microarrays and analyzed. Jejunum showed a reduced transcriptional response indicating mild inflammation only at 2 dpi. In ileum inflammatory genes were overexpressed (e.g., IL-1B, IL-6, IL-8, IL1RAP, TNFα), indicating a strong immune response at all times of infection. Infection also down-regulated genes of the FXR pathway (e.g., NR1H4, FABP6, APOA1, SLC10A2), indicating disruption of the bile acid absorption in ileum. This result was confirmed by decreased high-density lipoprotein cholesterol in serum of infected pigs. Ileal inflammatory gene expression changes peaked at 2 dpi and tended to resolve at 6 dpi. Furthermore, miRNA analysis of ileum at 2 dpi revealed 62 miRNAs potentially regulating target genes involved in this inflammatory process (e.g., miR-374 and miR-451). In colon, genes involved in epithelial adherence, proliferation and cellular reorganization were down-regulated at 2 and 6 dpi. In summary, here we show the transcriptional changes occurring at the intestine at different time points of the infection, which are mainly related to inflammation and disruption of the bile acid metabolism.

  1. Study on NO2 absorption by ascorbic acid and various chemicals*

    PubMed Central

    Li, Wei; Wu, Cheng-zhi; Fang, He-liang; Shi, Yao; Lei, Le-cheng

    2006-01-01

    Study on NO2 absorption aimed at seeking a better NO2 absorption chemical at pH 4.5~7.0 for application to existing wet flue gas desulfurization (FGD). The results from the double-stirred reactor indicated that ascorbic acid has very high absorption rate at this pH range. The rate constant of ascorbic acid reaction with NO2 (0~1000×10−6 mol/mol) is about 3.54×106 mol/(L·s) at pH 5.4~6.5 at 55 °C. PMID:16365924

  2. A study of optical absorption of cysteine-capped CdSe nanoclusters using first-principles calculations.

    PubMed

    Cui, Yingqi; Lou, Zhaoyang; Wang, Xinqin; Yu, Shengping; Yang, Mingli

    2015-04-14

    Understanding the size-dependent structures and properties of ligand-capped nanoclusters in solvent is of particular interest for the design, synthesis and application of II-VI colloidal QDs. Using DFT and TDDFT calculations, we studied the structure and optical property evolution of the cysteine-capped (CdSe)N clusters of N = 1-10, 13, 16 and 19 in gas, toluene, water and alkaline aqueous solution, and made a comparison with their corresponding bare clusters. The cysteine binds with (CdSe)Nvia several patterns depending on the medium they exist in, affecting the cluster structures and in consequence their optical absorption. In general, the absorption bands of (CdSe)N blueshift when cysteine is added, and the shift varies with the interaction strength between the cluster and the ligand, and the dielectric constant of the solvent. However, bare clusters retain their size sensitivity, in particular the redshift trend with increasing cluster size, and some similarity was noted for the optical absorption of the bare and ligated clusters regardless of the gas or solvent media. Population analysis reveals that the excitations are mainly from orbitals distributing on the (CdSe)N part, while the ligand is negligibly involved in the excitations. This is an important feature for the II-VI QDs as biosensors with which the information of biomolecules is detected from the size dependent optical absorption or emission of the QDs other than the biomolecules. PMID:25761258

  3. Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers.

    PubMed

    Wu, Wenpeng; Cao, Zexing; Zhao, Yi

    2012-03-21

    The vibrationally resolved spectral method and quantum chemical calculations are employed to reveal the structural and spectral properties of Coumarin 343 (C343), an ideal candidate for organic dye photosensitizers, in vacuum and solution. The results manifest that the ground-state energies are dominantly determined by different placements of hydrogen atom in carboxylic group of C343 conformations. Compared to those in vacuum, the electronic absorption spectra in methanol solvent show a hyperchromic property together with the redshift and blueshift for the neutral C343 isomers and their deprotonated anions, respectively. From the absorption, emission, and resonance Raman spectra, it is found that the maximal absorption and emission come from low-frequency modes whereas the high-frequency modes have high Raman activities. The detailed spectra are further analyzed for the identification of the conformers and understanding the potential charge transfer mechanism in their photovoltaic applications.

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

    PubMed

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

    2013-04-01

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

  5. Spectroscopy of α,ω-dithienyl polyenes: evidence for two-photon absorption states from fluorescence studies

    NASA Astrophysics Data System (ADS)

    Natarajan, Lalgudi V.; Kirkpatrick, Sean M.; Sutherland, Richard L.; Sowards, Laura A.; Spangler, Charles W.; Fleitz, Paul A.; Cooper, Thomas M.

    1998-10-01

    The photophysics of a series (alpha) ,(omega) -dithienyl polyenes was studied. Both one photon excited fluorescence and fluorescence originating from two photon absorption states were investigated. There is strong evidence of two photon absorption from fluorescence studies in agreement with our earlier studies involving nonlinear absorption.

  6. [Study on intestinal absorption features of oligosaccharides in Morinda officinalis How. with sigle-pass perfusion].

    PubMed

    Deng, Shao-Dong; Zhang, Peng; Lin, Li; Xiao, Feng-Xia; Lin, Jing-Ran

    2015-01-01

    To study the in situ intestinal absorption of five oligosaccharides contained in Morinda officinalis How. (sucrose, kestose, nystose, 1F-Fructofuranosyinystose and Bajijiasu). The absorption of the five oligosaccharides in small intestine (duodenum, jejunum and ileum) and colon of rats and their contents were investigated by using in situ single-pass perfusion model and HPLC-ELSD. The effects of drug concentration, pH in perfusate and P-glycoprotein inhibitor on the intestinal absorption were investigated to define the intestinal absorption mechanism of the five oligosaccharides in rats. According to the results, all of the five oligosaccharides were absorbed in the whole intestine, and their absorption rates were affected by the pH of the perfusion solution, drug concentration and intestinal segments. Verapamil Hydrochloride could significantly increase the absorptive amount of sucrose and Bajijiasu, suggesting sucrose and Bajijiasu are P-gp's substrate. The five oligosaccharides are absorbed mainly through passive diffusion in the intestinal segments, without saturated absorption. They are absorbed well in all intestines and mainly in duodenum and jejunum.

  7. Microemulsion formulation for enhanced absorption of poorly soluble drugs. II. In vivo study.

    PubMed

    Kawakami, Kohsaku; Yoshikawa, Takayoshi; Hayashi, Takashi; Nishihara, Yoshitaka; Masuda, Kazuyoshi

    2002-05-17

    Oral administration study of microemulsion formulations, which are known to improve the bioavailability of poorly soluble drugs, was performed using rats. Nitrendipine was used as a poorly soluble model drug, and its absorption was enhanced significantly by employing the microemulsion formulations compared to a suspension or an oil solution. The effect of the fed state on the oral absorption of nitrendipine became insignificant with the microemulsion formulations, although it affected the absorption from the suspension formulation significantly. The absorption behavior also varied with the type of surfactant. The absorption from Tween 80-based formulation was very rapid, while HCO-60-based formulation showed prolonged plasma concentration profile. However, the absorption from BL-9EX (polyoxyethylene alkyl ether)-based formulation was hardly observed. Damage to the gastrointestinal mucosa, which seems to be a serious problem of surfactant-based formulations, also differed with the type of surfactant employed. HCO-60 and Tween 80-based formulations were mild to the organs, while BL-9EX-based formulation caused serious damage. The behavior and absorption mechanism of the microemulsion formulations are discussed.

  8. Nustar Reveals an Intrinsically X-ray Weak Broad Absorption Line Quasar in the Ultraluminous Infrared Galaxy Markarian 231

    NASA Technical Reports Server (NTRS)

    Teng, Stacy H.; Brandt. W. N.; Harrison, F. A.; Luo, B.; Alexander, D. M.; Bauer, F. E.; Boggs, S. E.; Christensen, F. E.; Comastri, A.; Craig, W. W.; Fabian, A. C.; Farrah, D.; Fiore, F.; Gandhi, P.; Grefenstette, B. W.; Hailey, C. J.; Hickox, R. C.; Madsen, K. K.; Ptak, A. F.; Rigby, Jane Rebecca; Risaliti, G.; Saz, C.; Stern, D.; Veilleux, S.; Walton, D. J.; Wik, D. R.; Zhang, W. W.

    2014-01-01

    We present high-energy (3-30 keV) NuSTAR observations of the nearest quasar, the ultraluminous infrared galaxy (ULIRG) Markarian 231 (Mrk 231), supplemented with new and simultaneous low-energy (0.5-8 keV) data from Chandra. The source was detected, though at much fainter levels than previously reported, likely due to contamination in the large apertures of previous non-focusing hard X-ray telescopes. The full band (0.5-30 keV) X-ray spectrum suggests the active galactic nucleus (AGN) in Mrk 231 is absorbed by a patchy and Compton-thin N(sub H) approx. 1.2(sup +0.3) sub-0.3) x 10(exp 23) / sq cm) column. The intrinsic X-ray luminosity L(sub 0.5-30 Kev) approx. 1.0 x 10(exp 43) erg /s) is extremely weak relative to the bolometric luminosity where the 2-10 keV to bolometric luminosity ratio is approx. 0.03% compared to the typical values of 2-15%. Additionally, Mrk 231 has a low X-ray-to-optical power law slope alpha(sub 0X) approx. -1.7. It is a local example of a low-ionization broad absorption line (LoBAL) quasar that is intrinsically X-ray weak. The weak ionizing continuum may explain the lack of mid-infrared [O IV], [Ne V], and [Ne VI] fine-structure emission lines which are present in sources with otherwise similar AGN properties. We argue that the intrinsic X-ray weakness may be a result of the super-Eddington accretion occurring in the nucleus of this ULIRG, and may also be naturally related to the powerful wind event seen in Mrk 231, a merger remnant escaping from its dusty cocoon.

  9. Topical absorption and toxicity studies of jet fuel hydrocarbons in skin

    NASA Astrophysics Data System (ADS)

    Muhammad, Faqir

    Kerosene-based fuels have been used for many decades. Over 2 million military and civilian personnel each year are occupationally exposed to various jet fuel mixtures. Dermatitis is one of the major health concerns associated with these exposures. In the past, separate absorption and toxicity studies have been conducted to find the etiology of such skin disorders. There was a need for integrated absorption and toxicity studies to define the causative constituents of jet fuel responsible for skin irritation. The focus of this thesis was to study the percutaneous absorption and to identify the hydrocarbons (HC) causing irritation in jet fuels so that preventive measures could be taken in the future. The initial study was conducted to understand the possible mechanism for additive interactions on hydrocarbon absorption/disposition in silastic, porcine skin and isolated perfused porcine skin flap (IPPSF) models. The influence of JP-8 (100) additives (MDA, BHT, 8Q405) on the dermal kinetics of 14C-naphthalene and 14C/3H-dodecane as markers of HC absorption was evaluated. This study indicated that individual and combination of additives influenced marker disposition in different membranes. MDA was a significant suppressor while BHT was a significant enhancer of naphthalene absorption in IPPSF. The 8Q405 significantly reduced naphthalene content in dosed silastic and skin indicating a direct interaction between additive and marker HC. Similarly, the individual MDA and BHT significantly retained naphthalene in the stratum corneum of porcine skin, but the combination of both of these additives statistically decreased the marker retention in the stratum corneum suggesting a potential biological interaction. This study concluded that all components of a chemical mixture should be assessed since the effects of single components administered alone or as pairs may be confounded when all are present in the complete mixture. However, this study indicated that the marker HC

  10. The origin of the unusual Qy red shift in LH1-RC complexes from purple bacteria Thermochromatium tepidum as revealed by Stark absorption spectroscopy.

    PubMed

    Ma, Fei; Yu, Long-Jiang; Wang-Otomo, Zheng-Yu; van Grondelle, Rienk

    2015-12-01

    Native LH1-RC of photosynthetic purple bacteria Thermochromatium (Tch.) tepidum, B915, has an ultra-red BChl a Qy absorption. Two blue-shifted complexes obtained by chemical modification, B893 and B882, have increasing full widths at half maximum (FWHM) and decreasing transition dipole oscillator strength. 77K Stark absorption spectroscopy studies were employed for the three complexes, trying to understand the origin of the 915 nm absorption. We found that Tr(∆α) and |∆μ| of both Qy and carotenoid (Car) bands are larger than for other purple bacterial LH complexes reported previously. Moreover, the red shifts of the Qy bands are associated with (1) increasing Tr(∆α) and |∆μ| of the Qy band, (2) the red shift of the Car Stark signal and (3) the increasing |∆μ| of the Car band. Based on the results and the crystal structure, a combined effect of exciton-charge transfer (CT) states mixing, and inhomogeneous narrowing of the BChl a site energy is proposed to be the origin of the 915 nm absorption. CT-exciton state mixing has long been found to be the origin of strong Stark signal in LH1 and special pair, and the more extent of the mixing in Tch. tepidum LH1 is mainly the consequence of the shorter BChl-BChl distances. The less flexible protein structure results in a smaller site energy disorder (inhomogeneous narrowing), which was demonstrated to be able to influence |∆μ| and absorption.

  11. A study of energy absorption rate in a quantum dot and metallic nanosphere hybrid system.

    PubMed

    Schindel, Daniel; Singh, Mahi R

    2015-09-01

    We have studied energy absorption rate in a quantum dot-metallic nanosphere system embedded on a dielectric substrate. We applied a control field to induce dipole moments in the quantum dot and the metal nanosphere, and monitored the energy absorption using a probe field. These external fields induce dipole moments in the metal nanosphere and the quantum dot, and these two structures interact with one another via the dipole-dipole interaction. The density matrix method was used to evaluate the absorption, indicating that it can be shifted by moving the metal nanosphere close to the quantum dot. Also, absorption efficiency can either be quenched or enhanced by the addition of a metal nanosphere. This hybrid system can be used to create ultrafast switching and sensing nanodevices.

  12. A study of energy absorption rate in a quantum dot and metallic nanosphere hybrid system

    NASA Astrophysics Data System (ADS)

    Schindel, Daniel; Singh, Mahi R.

    2015-09-01

    We have studied energy absorption rate in a quantum dot-metallic nanosphere system embedded on a dielectric substrate. We applied a control field to induce dipole moments in the quantum dot and the metal nanosphere, and monitored the energy absorption using a probe field. These external fields induce dipole moments in the metal nanosphere and the quantum dot, and these two structures interact with one another via the dipole-dipole interaction. The density matrix method was used to evaluate the absorption, indicating that it can be shifted by moving the metal nanosphere close to the quantum dot. Also, absorption efficiency can either be quenched or enhanced by the addition of a metal nanosphere. This hybrid system can be used to create ultrafast switching and sensing nanodevices.

  13. Using high spectral resolution spectrophotometry to study broad mineral absorption features on Mars

    NASA Technical Reports Server (NTRS)

    Blaney, D. L.; Crisp, D.

    1993-01-01

    Traditionally telescopic measurements of mineralogic absorption features have been made using relatively low to moderate (R=30-300) spectral resolution. Mineralogic absorption features tend to be broad so high resolution spectroscopy (R greater than 10,000) does not provide significant additional compositional information. Low to moderate resolution spectroscopy allows an observer to obtain data over a wide wavelength range (hundreds to thousands of wavenumbers) compared to the several wavenumber intervals that are collected using high resolution spectrometers. However, spectrophotometry at high resolution has major advantages over lower resolution spectroscopy in situations that are applicable to studies of the Martian surface, i.e., at wavelengths where relatively weak surface absorption features and atmospheric gas absorption features both occur.

  14. Subtle local structural variations in oxygen deficient niobium germanate thin film glasses as revealed by x-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Sahiner, M. A.; Nabizadeh, A.; Rivella, D.; Cerqueira, L.; Hachlica, J.; Morea, R.; Gonzalo, J.; Woicik, J. C.

    2016-05-01

    The local electronic and crystal structure of niobium-lead-germanate, Nb2O5-PbO- GeO2 (NPG), glass thin films on silicon substrates were probed by XANES and EXAFS. NPG glasses are promising candidates for applications in nonlinear optical devices because they exhibit interesting optical characteristics such as high nonlinear third order optical susceptibility. In this work NPG glasses were prepared with pulsed laser deposition method with varying oxygen partial pressure to induce thin films with different oxygen stoichiometry. Previously, it was shown that oxygen stoichiometry has a very important effect to produce unusual high optical susceptibility. Detailed EXAFS and XANES analyses in a series of NPG thin films revealed the subtle variations in the local environment around Nb atoms and the Nb oxidation states caused by oxygen deficiencies.

  15. Studying Velocity Turbulence from Doppler-broadened Absorption Lines: Statistics of Optical Depth Fluctuations

    SciTech Connect

    Lazarian, A.; Pogosyan, D.

    2008-10-10

    We continue our work on developing techniques for studying turbulence with spectroscopic data. We show that Doppler-broadened absorption spectral lines, in particular, saturated absorption lines, can be used within the framework of the previously introduced technique termed the velocity coordinate spectrum (VCS). The VCS relates the statistics of fluctuations along the velocity coordinate to the statistics of turbulence; thus, it does not require spatial coverage by sampling directions in the plane of the sky. We consider lines with different degree of absorption and show that for lines of optical depth less than one, our earlier treatment of the VCS developed for spectral emission lines is applicable, if the optical depth is used instead of intensity. This amounts to correlating the logarithms of absorbed intensities. For larger optical depths and saturated absorption lines, we show that only wings of the line are available for the analysis. In terms of the VCS formalism, this results in introducing an additional window, whose size decreases with the increase of the optical depth. As a result, strongly saturated absorption lines only carry the information about the small-scale turbulence. Nevertheless, the contrast of the fluctuations corresponding to the small-scale turbulence increases with the increase of the optical depth, which provides advantages for studying turbulence by combining lines with different optical depths. By combining different absorption lines one can develop a tomography of the turbulence in the interstellar gas in all its complexity.

  16. Nonlinear absorption, optical limiting behavior and structural study of a new chalcone derivative-1-(3, 4-dimethylphenyl)-3-[4(methylsulfanyl) phenyl] prop-2-en-1-one

    NASA Astrophysics Data System (ADS)

    Chandra Shekhara Shetty, T.; Raghavendra, S.; Chidan Kumar, C. S.; Dharmaprakash, S. M.

    2016-03-01

    A new third order nonlinear optical (NLO) organic material-1-(3, 4-dimethylphenyl)-3-[4(methylsulfanyl) phenyl] prop-2-en-1-one (4DPMS) belonging to chalcone family has been crystallized in acetone solution. The 4DPMS crystals are characterized by CHNS analysis, FTIR, UV-visible spectral and thermal techniques. The single crystal X-ray diffraction study reveals that 4DPMS crystallizes in monoclinic system with P21/n space group. The linear optical absorption spectrum revealed that the 4DPMS crystals are transparent in the entire visible region. Thermogravimetric data shows absence of phase transition before melting point and from differential scanning calorimetry analysis the melting point of the crystal is found to be 106 °C. Third order nonlinear absorption and optical limiting experiment on 4DPMS was carried out using open aperture Z-scan technique with Nd: YAG laser operating at 532 nm. It was found that the calculated values of excited state absorption cross section for 4DPMS molecules is much greater than the ground state absorption cross section. A decrease in effective nonlinear absorption coefficient was observed with increase in the input irradiance of laser. The observed optical limiting property in 4DPMS is attributed to reverse saturable absorption.

  17. Bonding modifications in carbon nitride films induced by thermal annealing: An x-ray absorption near edge study

    SciTech Connect

    Jimenez, I.; Tong, W.M.; Shuh, D.K.; Holloway, B.C.; Kelly, M.A.; Pianetta, P.; Terminello, L.J.; Himpsel, F.J.

    1999-05-01

    The thermal stability of nonstoichiometric carbon nitride films has been studied by x-ray absorption near edge spectroscopy. Amorphous carbon nitride thin films were annealed in vacuum up to 1150 {degree}C revealing the presence of nitrogen in different bonding configurations. Annealing to 450 {degree}C results in the loss of {approximately}50{percent} of the nitrogen. The remaining nitrogen is bonded to carbon within a graphitic framework and it evolves into a more stable configuration with increasing temperature without significant N loss up to 820 {degree}C. Beyond this temperature, nitrogen loss occurs without important structural changes. {copyright} {ital 1999 American Institute of Physics.}

  18. Nanoscale elemental sensitivity study of Nd₂Fe₁₄B using absorption correlation tomography.

    PubMed

    Kao, Thomas L; Shi, Crystal Y; Wang, Junyue; Mao, Wendy L; Liu, Yijin; Yang, Wenge

    2013-11-01

    Transmission X-ray microscopy (TXM) is a rapidly developing technique with the capability of nanoscale three dimensional (3D) real-space imaging. Combined with the wide range in energy tunability from synchrotron sources, TXM enables the retrieval of 3D microstructural information with elemental/chemical sensitivity that would otherwise be inaccessible. The differential absorption contrast above and below absorption edges has been used to reconstruct the distributions of different elements, assuming the absorption edges of the interested elements are fairly well separated. Here we present an "Absorption Correlation Tomography" (ACT) method based on the correlation of the material absorption across multiple edges. ACT overcomes the significant limitation caused by overlapping absorption edges, significantly expands the capabilities of TXM, and makes it possible for fully quantitative nano-scale 3D structural investigation with chemical/elemental sensitivity. The capability and robustness of this new methodology is demonstrated in a case study of an important type of rare earth magnet (Nd₂Fe₁₄B). PMID:23922210

  19. One- and two-photon absorption of a spiropyran-merocyanine system: experimental and theoretical studies.

    PubMed

    Matczyszyn, Katarzyna; Olesiak-Banska, Joanna; Nakatani, Keitaro; Yu, Pei; Murugan, N Arul; Zaleśny, Robert; Roztoczyńska, Agnieszka; Bednarska, Joanna; Bartkowiak, Wojciech; Kongsted, Jacob; Ågren, Hans; Samoć, Marek

    2015-01-29

    We report on the nonlinear optical properties measurements and quantum-chemical calculations of a well-known photochromic system consisting of spiropyran and the merocyanine photoproduct. The study of nonlinear absorption and refraction properties of the molecules dissolved in chloroform were performed with the Z-scan technique, using femtosecond pulses in a wide range of wavelengths. Maxima in the two-photon absorption spectrum at 700 and 1050 nm were found for the merocyanine form, and the corresponding two-photon absorption cross section is 80 GM and 20 GM, respectively. The latter feature does not vanish completely in the nonlinear spectrum of the spiropyran form, possibly because of the existence of some photoconversion caused by the laser beam during the measurements. A nonlinear absorption peak at 900 nm is found in the spiropyran form with an effective cross section of about 20 GM; it is likely due to three-photon absorption or to absorption by some intermediate species. The experimental data are supported by calculations performed with the use of a hybrid quantum mechanics-molecular mechanics approach. PMID:25531561

  20. Simulated biological materials for electromagnetic radiation absorption studies

    SciTech Connect

    Hartsgrove, G.; Kraszewski, A.; Surowiec, A.

    1987-01-01

    For the study of electromagnetic dosimetry and hyperthermia, it is necessary to simulate human biological materials. This can be done by chemical mixtures that are described in this paper. Formulas are presented for simulating bone, lung, brain, and muscle tissue in the frequency range of 100 MHz to 1 GHz. By using these preparations a realistic equivalent to the human body can be constructed.

  1. Studies of Microwave Absorption Properties of Carbon Nanotubes/Epoxy Composites

    NASA Astrophysics Data System (ADS)

    Zhao, Guang-Lin

    2010-10-01

    Less weight, excellent mechanical properties, and high efficiency in absorbing electromagnetic (EM) wave make carbon nanotubes (CNTs) composites attractive for microwave technology applications. Multi-walled carbon nanotubes (MWNTs) have much higher performance-to-price ratio (PPR) than SWNTs do in the composite applications. In this work, we aim to study the effect of the outside diameter (OD) distributions of MWNTs on their microwave absorption properties. We have fabricated six groups of carbon nanotube/epoxy composite samples with various OD distributions. The weight percentages of MWNTs in the composites were controlled in the range from 1 to 10%. We utilized a microwave resonant cavity technique to measure the microwave absorption properties of all the sixty samples around the central frequency of 9.968 GHz. Our results have shown that the maxima of EM wave absorptions for the six groups of samples were all around 7% MWNTs weight percentage. We further studied the effective attenuations of the electric and magnetic fields in six groups of MWNT composite samples with the same (7 %) MWNT blend in epoxy. The results show that, in general, the MWNTs with smaller diameters have higher microwave absorption at 9.968 GHz. However, sample group M5 (OD<8nm) shows unusual results, a lower microwave absorption than the other samples. We then used a scanning electron microscope (SEM) to study the morphologies of the MWNT samples. Based on the SEM analysis and microwave absorption measurements, we found that the efficiency of the microwave absorption of MWNT/Epoxy composites is strongly affected by the morphologies/structures of MWNTs in individual bundles.

  2. Interactions of Polyvinylpyrrolidone with Chlorin e6-Based Photosensitizers Studied by NMR and Electronic Absorption Spectroscopy.

    PubMed

    Hädener, Marianne; Gjuroski, Ilche; Furrer, Julien; Vermathen, Martina

    2015-09-10

    Polyvinylpyrrolidone (PVP) can act as potential drug delivery vehicle for porphyrin-based photosensitizers in photodynamic therapy (PDT) to enhance their stability and prevent porphyrin self-association. In the present study the interactions of PVP (MW 10 kDa) were probed with five different derivatives of chlorin e6 (CE6) bearing either one of the amino acids serine, lysine, tyrosine or arginine, or monoamino-hexanoic acid as substituent. All derivatives of CE6 (xCE) formed aggregates of a similar structure in aqueous buffer in the millimolar range. In the presence of PVP monomerization of all xCE aggregates could be proved by (1)H NMR spectroscopy. xCE-PVP complex formation was confirmed by (1)H NMR T2 relaxation and diffusion ordered spectroscopy (DOSY). (1)H(1)H-NOESY data suggested that the xCE uptake into the PVP polymer matrix is governed by hydrophobic interactions. UV-vis absorption and fluorescence emission bands of xCE in the micromolar range revealed characteristic PVP-induced bathochromic shifts. The presented data point out the potential of PVP as carrier system for amphiphilic derivatives of chlorin e6. The capacity of PVP to monomerize xCE aggregates may enhance their efficiency as possible photosensitizers in PDT.

  3. Dynamics of Femtosecond Laser Ablation Plume Studied With Ultrafast X-ray Absorption Fine Structure Imaging

    SciTech Connect

    Oguri, Katsuya; Okano, Yasuaki; Nishikawa, Tadashi; Nakano, Hidetoshi

    2010-10-08

    We investigated the dynamic process of an expanding femtosecond laser ablation plume of aluminum generated in an irradiation intensity range of 10{sup 13}-10{sup 15} W/cm{sup 2} with the ultrafast x-ray absorption fine structure (XAFS) imaging technique. The XAFS spectra of the aluminum L{sub II,III} edge of the plume revealed that the plume consists of doubly and singly charged ions, neutral atoms, liquid particles, and possible atomic clusters. Scanning electron microscopy of deposited ablation particles confirmed that the liquid particles corresponds to the spherical nanoparticles with a size ranging from several tens nanometers to approximately 200 nm. The spatiotemporal evolution of the XAFS image of the plume shows the sequential appearance of each ablation particle from aluminum surface according to its ejection velocity. The result suggests that the photomechanical fragmentation process, which was theoretically proposed, is dominant mechanism for the nanoparticle ejection under the irradiation intensity far from the ablation threshold of aluminum. This study clearly demonstrates the potential of our technique for measuring the ultrafast dynamics of femtosecond laser ablation process.

  4. Hospital study reveals strategies for improving media relations.

    PubMed

    Fitzgerald, P E; Embrey-Wahl, L

    1987-01-01

    A nationwide study revealed that hospital administrators feel inadequate when dealing with the media, and also think the media does not understand the hospital business. Many strategies are available to counter these problems, including some that emphasize issues related to bed size. PMID:3583722

  5. Bioavailability of dietary (poly)phenols: a study with ileostomists to discriminate between absorption in small and large intestine.

    PubMed

    Borges, Gina; Lean, Michael E J; Roberts, Susan A; Crozier, Alan

    2013-04-30

    A feeding study was carried out in which six healthy ileostomists ingested a juice drink containing a diversity of dietary (poly)phenols derived from green tea, apples, grapes and citrus fruit. Ileal fluid and urine collected at intervals over the ensuing 24 h period were then analysed by HPLC-MS. Urinary excretions were compared with results obtained in an earlier study in which the juice drink was ingested by ten healthy control subjects with an intact colon. Some polyphenol components, such as (epi)catechins and (epi)gallocatechin(s), were excreted in urine in similar amounts in ileostomists and subjects with an intact colon, demonstrating that absorption took place principally in the small intestine. In the urine of ileostomists, there were reduced levels of other constituents, including hesperetin-7-O-rutinoside, 5-O-caffeoylquinic acid and dihydrochalcones, indicating their absorption in both the small and large intestine. Ileal fluid analysis revealed that even when absorption occurred in the small intestine, in subjects with a functioning colon a substantial proportion of the ingested components still pass from the small into the large intestine, where they may be either absorbed before or after catabolism by colonic bacteria.

  6. Microwave Absorption Study on (Bi, Pb)-Sr-Ca-Cu-O Granular Superconductors

    NASA Astrophysics Data System (ADS)

    Jurga, W.; Piekara-Sady, L.; Gazda, M.

    2008-07-01

    (Bi, Pb)-Sr-Ca-Cu-O is considered as a system of 2201, 2212 and 2223 superconductors embedded in the insulating matrix. The size of the grains depends on the time of recrystallization. These types of ceramics exhibit a two-step transition to superconducting state. Because electrical properties depend among other on the Josephson coupling between grains, the magnetically modulated microwave absorption study was undertaken. Magnetically modulated microwave absorption signal was observed to arise just as temperature had been lowered below T1. The shape of this signal was studied to recognize the second temperature T2. Some strong oscillations appear on magnetically modulated microwave absorption at lower temperatures, which might be related to local percolation breakdown in superconducting network.

  7. Particle scattering, backscattering, and absorption coefficients: An in situ closure and sensitivity study

    NASA Astrophysics Data System (ADS)

    Wex, Heike; Neusüß, Christian; Wendisch, Manfred; Stratmann, Frank; Koziar, Christian; Keil, Andreas; Wiedensohler, Alfred; Ebert, Martin

    2002-11-01

    Comparisons between measured and calculated aerosol scattering, backscattering, and absorption coefficients were made based on in situ, ground-based measurements during the Melpitz INTensive (MINT) and Lindenberg Aerosol Characterization Experiment 1998 (LACE 98) field studies. Furthermore, airborne measurements made with the same type of instruments are reviewed and compared with the ground-based measurements. Agreement between measured and calculated values is on the order of ±20% for scattering and backscattering coefficients. A sensitivity analysis showed a large influence on the calculated particle scattering and backscattering coefficients resulting from sizing uncertainties in the measured number size distributions. Measured absorption coefficients were significantly smaller than the corresponding calculated values. The largest uncertainty for the calculated absorption coefficients resulted from the size-dependent fraction of elemental carbon (EC) of the aerosol. A correction for the measured fractions of EC could significantly improve the agreement between measured and calculated absorption coefficients. The overall uncertainty of the calculated values was investigated with a Monte Carlo method by simultaneously and randomly varying the input parameters of the calculations, where the variation of each parameter was bounded by its uncertainty. The measurements were mostly found to be within the range of uncertainties of the calculations, with uncertainties for the calculated scattering and backscattering coefficients of about ±20% and for the absorption coefficients of about ±30%. Thus, to increase the accuracy of calculated scattering, backscattering, and absorption coefficients, it is crucial to further reduce the error in particle number size distribution measurement techniques. In addition, further improvement of the techniques for measuring absorption coefficients and further investigation of the measurement of the fraction of EC of the aerosol is

  8. Feasibility of a 3D human airway epithelial model to study respiratory absorption.

    PubMed

    Reus, Astrid A; Maas, Wilfred J M; Jansen, Harm T; Constant, Samuel; Staal, Yvonne C M; van Triel, Jos J; Kuper, C Frieke

    2014-03-01

    The respiratory route is an important portal for human exposure to a large variety of substances. Consequently, there is an urgent need for realistic in vitro strategies for evaluation of the absorption of airborne substances with regard to safety and efficacy assessment. The present study investigated feasibility of a 3D human airway epithelial model to study respiratory absorption, in particular to differentiate between low and high absorption of substances. Bronchial epithelial models (MucilAir™), cultured at the air-liquid interface, were exposed to eight radiolabeled model substances via the apical epithelial surface. Absorption was evaluated by measuring radioactivity in the apical compartment, the epithelial cells and the basolateral culture medium. Antipyrine, caffeine, naproxen and propranolol were highly transported across the epithelial cell layer (>5%), whereas atenolol, mannitol, PEG-400 and insulin were limitedly transported (<5%). Results indicate that the 3D human airway epithelial model used in this study is able to differentiate between substances with low and high absorption. The intra-experimental reproducibility of the results was considered adequate based on an average coefficient of variation (CV) of 15%. The inter-experimental reproducibility of highly absorbed compounds was in a similar range (CV of 15%), but this value was considerably higher for those compounds that were limitedly absorbed. No statistical significant differences between different donors and experiments were observed. The present study provides a simple method transposable in any lab, which can be used to rank the absorption of chemicals and pharmaceuticals, and is ready for further validation with respect to reproducibility and capacity of the method to predict respiratory transport in humans.

  9. A study of variations in the 787-nm ammonia absorption band in the Jupiter atmosphere

    NASA Astrophysics Data System (ADS)

    Bondarenko, N. N.

    2013-08-01

    During the last years the program of the spectrophotometric study of Jupiter included the measurements of the NH3 absorption band 787 nm. This band is overlapped by a broader absorption band of CH4. To detect the NH3 band we used the ratio of Jovian spectra to the spectrum of Saturn equatorial region. It was taken into account that the ammonia absorption on Saturn is significantly weaker than on Jupiter. The results of processing the spectrograms were analyzed for the years 2007-2010. Latitudinal variations of the NH3 band regularly show a depression of absorption at low and temperate latitudes of Jovian northern hemisphere. The equivalent width decreases approximately from 18-16 Å, to 14-12 Å. A more or less symmetric and steeper decrease of absorption from the disk center to limbs was obtained for the equatorial belt of Jupiter. It may be considered as evidence of the reality of that latitudinal depression but not the instrumental errors. It should be noted that the ammonia decrease in northern hemisphere was detected also from radio observations of Jupiter

  10. A Study on the Excitation and Resonant Absorption of Coronal Loop Kink Oscillations

    NASA Astrophysics Data System (ADS)

    Yu, Dae Jung; Van Doorsselaere, Tom

    2016-11-01

    We study theoretically the issue of externally driven excitations of standing kink waves and their resonant absorption into torsionally polarized m = 1 waves in the coronal loops in pressureless plasmas. We use the ideal MHD equations, for which we develop an invariant imbedding method available in cylindrical geometry. We assume a sinusoidal density profile at the loop boundary where the density inside the loop is lower than the outside and vice versa. We present field distributions for these two cases and find that they have similar behaviors. We compare the results for the overdense loops, which describe the usual coronal loops, with the analytical solutions of Soler et al. obtained using the Frobenius method. Our results show some similarity for thin nonuniform layers but deviate a lot for thick nonuniform layers. For the first case, which describes the wave train propagation in funnels, we find that resonant absorption depends crucially on the thickness of the nonuniform boundary, loop length, and density contrast. The resonant absorption of the kink mode is dominant when the loop length is sufficiently larger compared with its radius (thin loop). The behavior of the far-field pattern of the scattered wave by the coronal loop is closely related to that of the resonant absorption. For the mode conversion phenomena in inhomogeneous plasmas, a certain universal behavior of the resonant absorption is found for the first time. We expect that the main feature may also apply to the overdense loops and discuss its relation to the damping rate.

  11. Iron absorption in raw and cooked bananas: a field study using stable isotopes in women

    PubMed Central

    García, Olga P.; Martínez, Mara; Romano, Diana; Camacho, Mariela; de Moura, Fabiana F.; Abrams, Steve A.; Khanna, Harjeet K.; Dale, James L.; Rosado, Jorge L.

    2015-01-01

    Background Banana is a staple food in many regions with high iron deficiency and may be a potential vehicle for iron fortification. However, iron absorption from bananas is not known. Objective The objective of this study was to evaluate total iron absorption from raw and cooked bananas. Design Thirty women (34.9±6.6 years) from rural Mexico were randomly assigned to one of two groups each consuming: 1) 480 g/day of raw banana for 6 days, or 2) 500 g/day of cooked banana for 4 days. Iron absorption was measured after extrinsically labeling with 2 mg of 58Fe and a reference dose of 6 mg 57Fe; analysis was done using ICP-MS. Results Iron content in cooked bananas was significantly higher than raw bananas (0.53 mg/100 g bananas vs. 0.33 mg/100 mg bananas, respectively) (p<0.001). Percent iron absorption was significantly higher in raw bananas (49.3±21.3%) compared with cooked banana (33.9±16.2%) (p=0.035). Total amount of iron absorbed from raw and cooked bananas was similar (0.77±0.33 mg vs. 0.86±0.41 mg, respectively). Conclusion Total amount of absorbed iron is similar between cooked and raw bananas. The banana matrix does not affect iron absorption and is therefore a potential effective target for genetic modification for iron biofortification. PMID:25660254

  12. [Comparation of gastrointestinal absorption studies of specnuezhenide with salidroside in rats].

    PubMed

    Li, Hui-Fen; Zhang, Xue-Lan

    2014-03-01

    The experiment was designed to study the mechanism of increasing efficiency of Ligustrum lucidum steamed with wine. Rats in vivo with gastrointestinal perfusion model were used. The contents of salidroside and specnuezhenide in the fluid of gastrointestinal perfusion of rats were measured by HPLC at different time points after dosing. Then the K(a) and absorption percentage were calculated. Specnuezhenide could be detected in the fluid of gastrointestinal perfusion of specnuezhenide. The K(a) of the specnuezhenide and salidroside in the fetal intestines are 0.055 3 and 0.144 2 h(-1) respectively and the total absorptivity are 24.46% and 60.14% respectively after 4 hours. The K(a) in the stomach are 5.70 and 8.26 h(-1) respectively and the total absorptivity are 34.21% and 47.23% respectively after 4 hours. The experiment proved that specnuezhenide can be metabolized into salidroside which is more beneficial for gastrointestinal absorption. The experiment proved that specnuezhenide can be metabolized into salidroside both in the rat's stomach and the fetal intestine and compared with the specnuezhenide salidroside is more conducive to gastrointestinal absorption. The results suggested that the increasing efficiency on liver and kidney of L. lucidum steamed with wine has business with the fact that Specnuezhe nide is more conducive to the body after it is changed into salidroside. PMID:24956860

  13. X-ray absorption study of the electronic structure of Mn-doped amorphous Si

    SciTech Connect

    Arenholz, Elke; Zeng, Li; Huegel, A.; Helgren, E.; Hellman, F.; Piamonteze, C.; Arenholz, E.

    2008-03-08

    The electronic structure of Mn in amorphous Si (a-Mn{sub x}Si{sub 1?x}) is studied by X-ray absorption spectroscopy at the Mn L{sub 3,2} edges for x = 0.005-0.18. Except the x = 0.005 sample, which shows a slight signature of Mn{sup 2+} atomic multiplets associated with a local Mn moment, all samples have broad and featureless L{sub 3,2} absorption peaks, corresponding to an itinerant state for all 3d electrons. The broad X-ray absorption spectra exclude the possibility of a localized 3d moment and explain the unexpectedly quenched Mn moment in this magnetically-doped amorphous semiconductor. Such a fully delocalized d state of Mn dopant in Si has not been previously suggested.

  14. Numerical study of plasmonic absorption enhancement in semiconductor absorbers by metallic nanoparticles

    NASA Astrophysics Data System (ADS)

    Hornich, Julian; Pflaum, Christoph; Brabec, Christoph; Forberich, Karen

    2016-09-01

    We are studying the influence of spherical silver nanoparticles (AgNP) in absorbing media by numerically solving the Maxwell's equations. Our simulations show that the near-field absorption enhancement introduced by a single AgNP in the surrounding medium is increasing with the growing particle diameter. However, we observe that the relative absorption per particle volume is on a similar level for different particle sizes; hence, different numbers of particles with the same total volume yield the same near-field absorption enhancement. We also investigate the effect of non-absorbing shells around the AgNP with the conclusion that even very thin shells suppress the beneficial effects of the particles noticeably. Additionally, we include AgNP in an organic solar cell at different vertical positions with different particle spacings and observe the beneficial effects for small AgNP and the scattering dependent performance for larger particles.

  15. Studies of Water Absorption Behavior of Plant Fibers at Different Temperatures

    NASA Astrophysics Data System (ADS)

    Saikia, Dip

    2010-05-01

    Moisture absorption of natural fiber plastic composites is one major concern in their outdoor applications. The absorbed moisture has many detrimental effects on the mechanical performance of these composites. A knowledge of the moisture diffusivity, permeability, and solubility is very much essential for the application of natural fibers as an excellent reinforcement in polymers. An effort has been made to study the water absorption behavior of some natural fibers such as bowstring hemp, okra, and betel nut at different temperatures to improve the long-term performance of composites reinforced with these fibers. The gain in moisture content in the fibers due to water absorption was measured as a function of exposure time at temperatures ranging from 300 K to 340 K. The thermodynamic parameters of the sorption process, such as diffusion coefficients and corresponding activation energies, were estimated.

  16. [Study on transient absorption spectrum of tungsten nanoparticle with HepG2 tumor cell].

    PubMed

    Cao, Lin; Shu, Xiao-Ning; Liang, Dong; Wang, Cong

    2014-07-01

    Significance of this study lies in tungsten nano materials can be used as a preliminary innovative medicines applied basic research. This paper investigated the inhibition of tungsten nanoparticles which effected on human hepatoma HepG2 cells by MTT. The authors use transient absorption spectroscopy (TAS) technology absorption and emission spectra characterization of charge transfer between nanoparticles and tumor cell. The authors discussed the role of the tungsten nanoparticles in the tumor early detection of the disease and its anti-tumor properties. In the HepG2 experiments system, 100-150 microg x mL(-1) is the best drug concentration of anti-tumor activity which recact violently within 6 hours and basically completed in 24 hours. The results showed that transient absorption spectroscopy can be used as tumor detection methods and characterization of charge transfer between nano-biosensors and tumor cells. Tungsten nanoparticles have potential applications as anticancer drugs.

  17. Optical absorption and luminescence studies of fast neutron-irradiated complex oxides for jewellery applications

    NASA Astrophysics Data System (ADS)

    Mironova-Ulmane, N.; Skvortsova, V.; Popov, A. I.

    2016-07-01

    We studied the optical absorption and luminescence of agate (SiO2), topaz (Al2[SiO4](F,OH)2), beryl (Be3Al2Si6O18), and prehnite (Ca2Al(AlSi3O10)(OH)2) doped with different concentrations of transition metal ions and exposed to fast neutron irradiation. The exchange interaction between the impurity ions and the defects arising under neutron irradiation causes additional absorption as well as bands' broadening in the crystals. These experimental results allow us to suggest the method for obtaining new radiation-defect induced jewellery colors of minerals due to neutron irradiation.

  18. Decomposition of NO studied by infrared emission and CO laser absorption

    NASA Technical Reports Server (NTRS)

    Hanson, R. K.; Monat, J. P.; Flower, W. L.; Kruger, C. H.

    1975-01-01

    A diagnostic technique for monitoring the concentration of NO using absorption of CO laser radiation has been developed and applied in a study of the decomposition kinetics of NO. Simultaneous measurements of infrared emission by NO at 5.3 microns were also made to validate the laser absorption technique. The data were obtained behind incident shocks in NO-N2O-Ar (or Kr) mixtures, with temperatures in the range 2400-4100 K. The rate constant for the dominant reaction of O and NO to yield N and O2 was inferred from comparisons with computer simulations of the reactive flow.

  19. Decomposition of NO studied by infrared emission and CO laser absorption

    NASA Technical Reports Server (NTRS)

    Hanson, R. K.; Flower, W. L.; Monat, J. P.; Kruger, C. H.

    1974-01-01

    A diagnostic technique for monitoring the concentration of NO using absorption of CO laser radiation was developed and applied in a study of the decomposition kinetics of NO. Simultaneous measurements of infrared emission by NO at 5.3 microns were also made to validate the laser absorption technique. The data were obtained behind incident shocks in NO-N2O-Ar (or Kr) mixtures, with temperatures in the range 2400-4100 K. Rate constants for dominant reactions were inferred from comparisons with computer simulations of the reactive flow.

  20. Non-degenerate two-photon absorption in silicon waveguides. Analytical and experimental study

    DOE PAGES

    Zhang, Yanbing; Husko, Chad; Lefrancois, Simon; Rey, Isabella H.; Krauss, Thomas F.; Schröder, Jochen; Eggleton, Benjamin J.

    2015-06-22

    We theoretically and experimentally investigate the nonlinear evolution of two optical pulses in a silicon waveguide. We provide an analytic solution for the weak probe wave undergoing non-degenerate two-photon absorption (TPA) from the strong pump. At larger pump intensities, we employ a numerical solution to study the interplay between TPA and photo-generated free carriers. We develop a simple and powerful approach to extract and separate out the distinct loss contributions of TPA and free-carrier absorption from readily available experimental data. Our analysis accounts accurately for experimental results in silicon photonic crystal waveguides.

  1. Ultrafast Time-Resolved Emission and Absorption Spectra of meso-Pyridyl Porphyrins upon Soret Band Excitation Studied by Fluorescence Up-Conversion and Transient Absorption Spectroscopy.

    PubMed

    Venkatesh, Yeduru; Venkatesan, M; Ramakrishna, B; Bangal, Prakriti Ranjan

    2016-09-01

    A comprehensive study of ultrafast molecular relaxation processes of isomeric meso-(pyridyl) porphyrins (TpyPs) has been carried out by using femtosecond time-resolved emission and absorption spectroscopic techniques upon pumping at 400 nm, Soret band (B band or S2), in 4:1 dichloromethane (DCM) and tetrahydrofuran (THF) solvent mixture. By combined studies of fluorescence up-conversion, time-correlated single photon counting, and transient absorption spectroscopic techniques, a complete model with different microscopic rate constants associated with elementary processes involved in electronic manifolds has been reported. Besides, a distinct coherent nuclear wave packet motion in Qy state is observed at low-frequency mode, ca. 26 cm(-1) region. Fluorescence up-conversion studies constitute ultrafast time-resolved emission spectra (TRES) over the whole emission range (430-710 nm) starting from S2 state to Qx state via Qy state. Careful analysis of time profiles of up-converted signals at different emission wavelengths helps to reveal detail molecular dynamics. The observed lifetimes are as indicated: A very fast decay component with 80 ± 20 fs observed at ∼435 nm is assigned to the lifetime of S2 (B) state, whereas being a rise component in the region of between 550 and 710 nm emission wavelength pertaining to Qy and Qx states, it is attributed to very fast internal conversion (IC) occurring from B → Qy and B → Qx as well. Two distinct components of Qy emission decay with ∼200-300 fs and ∼1-1.5 ps time constants are due to intramolecular vibrational redistribution (IVR) induced by solute-solvent inelastic collisions and vibrational redistribution induced by solute-solvent elastic collision, respectively. The weighted average of these two decay components is assigned as the characteristic lifetime of Qy, and it ranges between 0.3 and 0.5 ps. An additional ∼20 ± 2 ps rise component is observed in Qx emission, and it is assigned to the formation time of

  2. Ultrafast Time-Resolved Emission and Absorption Spectra of meso-Pyridyl Porphyrins upon Soret Band Excitation Studied by Fluorescence Up-Conversion and Transient Absorption Spectroscopy.

    PubMed

    Venkatesh, Yeduru; Venkatesan, M; Ramakrishna, B; Bangal, Prakriti Ranjan

    2016-09-01

    A comprehensive study of ultrafast molecular relaxation processes of isomeric meso-(pyridyl) porphyrins (TpyPs) has been carried out by using femtosecond time-resolved emission and absorption spectroscopic techniques upon pumping at 400 nm, Soret band (B band or S2), in 4:1 dichloromethane (DCM) and tetrahydrofuran (THF) solvent mixture. By combined studies of fluorescence up-conversion, time-correlated single photon counting, and transient absorption spectroscopic techniques, a complete model with different microscopic rate constants associated with elementary processes involved in electronic manifolds has been reported. Besides, a distinct coherent nuclear wave packet motion in Qy state is observed at low-frequency mode, ca. 26 cm(-1) region. Fluorescence up-conversion studies constitute ultrafast time-resolved emission spectra (TRES) over the whole emission range (430-710 nm) starting from S2 state to Qx state via Qy state. Careful analysis of time profiles of up-converted signals at different emission wavelengths helps to reveal detail molecular dynamics. The observed lifetimes are as indicated: A very fast decay component with 80 ± 20 fs observed at ∼435 nm is assigned to the lifetime of S2 (B) state, whereas being a rise component in the region of between 550 and 710 nm emission wavelength pertaining to Qy and Qx states, it is attributed to very fast internal conversion (IC) occurring from B → Qy and B → Qx as well. Two distinct components of Qy emission decay with ∼200-300 fs and ∼1-1.5 ps time constants are due to intramolecular vibrational redistribution (IVR) induced by solute-solvent inelastic collisions and vibrational redistribution induced by solute-solvent elastic collision, respectively. The weighted average of these two decay components is assigned as the characteristic lifetime of Qy, and it ranges between 0.3 and 0.5 ps. An additional ∼20 ± 2 ps rise component is observed in Qx emission, and it is assigned to the formation time of

  3. Anticancer efficacy and absorption, distribution, metabolism, and toxicity studies of aspergiolide A in early drug development.

    PubMed

    Wang, Yuanyuan; Qi, Xin; Li, Dehai; Zhu, Tianjiao; Mo, Xiaomei; Li, Jing

    2014-01-01

    Since the first anthracycline was discovered, many other related compounds have been studied in order to overcome its defects and improve efficacy. In the present paper, we investigated the anticancer effects of a new anthracycline, aspergiolide A (ASP-A), from a marine-derived fungus in vitro and in vivo, and we evaluated the absorption, distribution, metabolism, and toxicity drug properties in early drug development. We found that ASP-A had activity against topoisomerase II that was comparable to adriamycin. ASP-A decreased the growth of various human cancer cells in vitro and induced apoptosis in BEL-7402 cells via a caspase-dependent pathway. The anticancer efficacy of ASP-A on the growth of hepatocellular carcinoma xenografts was further assessed in vivo. Results showed that, compared with the vehicle group, ASP-A exhibited significant anticancer activity with less loss of body weight. A pharmacokinetics and tissue distribution study revealed that ASP-A was rapidly cleared in a first order reaction kinetics manner, and was enriched in cancer tissue. The maximal tolerable dose (MTD) of ASP-A was more than 400 mg/kg, and ASP-A was not considered to be potentially genotoxic or cardiotoxic, as no significant increase of micronucleus rates or inhibition of the hERG channel was seen. Finally, an uptake and transport assay of ASP-A was performed in monolayers of Caco-2 cells, and ASP-A was shown to be absorbed through the active transport pathway. Altogether, these results indicate that ASP-A has anticancer activity targeting topoisomerase II, with a similar structure and mechanism to adriamycin, but with much lower toxicity. Nonetheless, further molecular structure optimization is necessary.

  4. FDTD/TDSE study of surface-enhanced infrared absorption by metal nanoparticles.

    SciTech Connect

    Chang, S.-H.; Schatz, G. C.; Gray, S. K.; Chemistry; Northwestern Univ.; National Cheng-Kung Univ.

    2006-01-01

    We study surface-enhanced infrared absorption, including multiphoton processes, due to the excitation of surface plasmons on metal nanoparticles. The time-dependent Schroedinger equation and finite-difference time-domain method are self-consistently coupled to treat the problem.

  5. Soft X-Ray Irradiation Effects of Li2O2, Li2CO3 and Li2O Revealed by Absorption Spectroscopy

    PubMed Central

    Qiao, Ruimin; Chuang, Yi-De; Yan, Shishen; Yang, Wanli

    2012-01-01

    Li2O2, Li2CO3, and Li2O are three critical compounds in lithium-air and lithium-ion energy storage systems. Extensive measurements have been carried out to study the chemical species and their evolutions at difference stages of the device operation. While x-ray spectroscopy has been demonstrated to be one of the most powerful tools for such purpose, no systematic study on the irradiation effects have been reported. Here we carry out extensive time, position, and irradiation dependent Li K-edge soft x-ray absorption spectroscopy on these compounds with so far the best energy resolution. The ultra-high resolution in the current study allows the features in the absorption spectra to be well-resolved. The spectral lineshape thus serves as the fingerprints of these compounds, enabling the tracking of their evolution under x-ray irradiation. We found that both Li2O2 and Li2CO3 evidently evolve towards Li2O under the soft x-ray irradiation with Li2CO3 exhibiting a surprisingly higher sensitivity to x-rays than Li2O2. On the other hand, Li2O remains the most stable compound despite experiencing substantial irradiation dose. We thus conclude that high resolution soft x-ray spectroscopy could unambiguously fingerprint different chemical species, but special cautions on irradiation effects would be needed in performing the experiments and interpreting the data properly. PMID:23145116

  6. Microwave Resonator Measurements of Atmospheric Absorption Coefficients: A Preliminary Design Study

    NASA Technical Reports Server (NTRS)

    Walter, Steven J.; Spilker, Thomas R.

    1995-01-01

    A preliminary design study examined the feasibility of using microwave resonator measurements to improve the accuracy of atmospheric absorption coefficients and refractivity between 18 and 35 GHz. Increased accuracies would improve the capability of water vapor radiometers to correct for radio signal delays caused by Earth's atmosphere. Calibration of delays incurred by radio signals traversing the atmosphere has applications to both deep space tracking and planetary radio science experiments. Currently, the Cassini gravity wave search requires 0.8-1.0% absorption coefficient accuracy. This study examined current atmospheric absorption models and estimated that current model accuracy ranges from 5% to 7%. The refractivity of water vapor is known to 1% accuracy, while the refractivity of many dry gases (oxygen, nitrogen, etc.) are known to better than 0.1%. Improvements to the current generation of models will require that both the functional form and absolute absorption of the water vapor spectrum be calibrated and validated. Several laboratory techniques for measuring atmospheric absorption and refractivity were investigated, including absorption cells, single and multimode rectangular cavity resonators, and Fabry-Perot resonators. Semi-confocal Fabry-Perot resonators were shown to provide the most cost-effective and accurate method of measuring atmospheric gas refractivity. The need for accurate environmental measurement and control was also addressed. A preliminary design for the environmental control and measurement system was developed to aid in identifying significant design issues. The analysis indicated that overall measurement accuracy will be limited by measurement errors and imprecise control of the gas sample's thermodynamic state, thermal expansion and vibration- induced deformation of the resonator structure, and electronic measurement error. The central problem is to identify systematic errors because random errors can be reduced by averaging

  7. The potential of UV-VIS-NIR absorption spectroscopy in glass studies

    NASA Astrophysics Data System (ADS)

    Meulebroeck, Wendy; Baert, Kitty; Ceglia, Andrea; Cosyns, Peter; Wouters, Hilde; Nys, Karin; Terryn, Herman; Thienpont, Hugo

    Absorption spectroscopy is the technique that measures the absorption of radiation as a function of wavelength, due to its interaction with the material. During a research project funded by our home university, we were able to investigate the possibilities of this technique to study ancient glasses. One of our main conclusions is that UV-VIS-NIR absorption spectroscopy is especially suited to characterize colored artifacts in terms of composition and furnace conditions. Moreover, for naturally colored window glasses, we have shown that this technique allows us to classify fragments based on differences in iron impurity levels. It is a semi-quantitative analysis tool that can be applied for a first-line analysis of (large) glass collections. Thanks to the commercial available portable instruments, these measurements can be performed at relative high speed and this in-situ if necessary. To illustrate the possibilities of this technique, we describe in this paper two case-studies. In a first test-case we analyze 63 naturally colored window glasses and demonstrate how groups with different iron concentrations can be identified by calculating the absorption edge position from the measured optical spectrum. In a second case-study 8 modern naturally colored and 31 intentionally colored Roman glass fragments are the point of focus. For these samples we first estimate which samples are potentially fabricated under the same furnace conditions. This is done based on the calculated color values. Finally we identify the type of applied colorants.

  8. A role for dZIP89B in Drosophila dietary zinc uptake reveals additional complexity in the zinc absorption process.

    PubMed

    Richards, Christopher D; Warr, Coral G; Burke, Richard

    2015-12-01

    Dietary zinc is the principal source of zinc in eukaryotes, with its uptake and distribution controlled by a complex network of numerous membrane-spanning transport proteins. Dietary absorption is achieved by members of the SLC39A (ZIP) gene family, which encode proteins that are generally responsible for the movement of zinc into the cytosol. ZIP4 is thought to be the primary mammalian zinc uptake gene in the small intestine, with mutations in this gene causing the zinc deficiency disease Acrodermatitis enteropathica. In Drosophila, dual knockdown of the major dietary zinc uptake genes dZIP42C.1 (dZIP1) and dZIP42C.2 (dZIP2) results in a severe sensitivity to zinc-deficient media. However, the symptoms associated with ZIP4 loss can be reversed by zinc supplementation and dZIP42C.1 and 2 knockdown has minimal effect under normal dietary conditions, suggesting that additional pathways for zinc absorption exist in both mammals and flies. This study provides evidence that dZIP89B is an ideal candidate for this role in Drosophila, encoding a low-affinity zinc uptake transporter active in the posterior midgut. Flies lacking dZIP89B, while viable and apparently healthy, show indications of low midgut zinc levels, including reduced metallothionein B expression and compensatory up-regulation of dZIP42C.1 and 2. Furthermore dZIP89B mutants display a dramatic resistance to toxic dietary zinc levels which is abrogated by midgut-specific restoration of dZIP89B activity. We postulate that dZIP89B works in concert with the closely related dZIP42C.1 and 2 to ensure optimal zinc absorption under a range of dietary conditions.

  9. Photodissociation of thioglycolic acid studied by femtosecond time-resolved transient absorption spectroscopy

    SciTech Connect

    Attar, Andrew R.; Blumling, Daniel E.; Knappenberger, Kenneth L. Jr.

    2011-01-14

    Steady-state and time-resolved spectroscopies were employed to study the photodissociation of both the neutral (HS-CH{sub 2}-COOH) and doubly deprotonated ({sup -}S-CH{sub 2}-COO{sup -}) forms of thioglycolic acid (TGA), a common surface-passivating ligand used in the aqueous synthesis and organization of semiconducting nanostructures. Room temperature UV-Vis absorption spectroscopy indicated strong absorption by the S{sub 1} and S{sub 2} excited states at 250 nm and 185 nm, respectively. The spectrum also contained a weaker absorption band that extended to approximately 550 nm, which was assigned to the {pi}{sub CO}{sup *}(leftarrow)n{sub O} transition. Femtosecond time-resolved transient absorption spectroscopy was performed on TGA using 400 nm excitation and a white-light continuum probe to provide the temporally and spectrally resolved data. Both forms of TGA underwent a photoinduced dissociation from the excited state to form an {alpha}-thiol-substituted acyl radical ({alpha}-TAR, S-CH{sub 2}-CO). For the acidic form of TGA, radical formation occurred with an apparent time constant of 60 {+-} 5 fs; subsequent unimolecular decay took 400 {+-} 60 fs. Similar kinetics were observed for the deprotonated form of TGA (70 {+-} 10 fs radical formation; 420 {+-} 40 fs decay). The production of the {alpha}-TAR was corroborated by the observation of its characteristic optical absorption. Time-resolved data indicated that the photoinduced dissociation of TGA via cleavage of the C-OH bond occurred rapidly ({<=}100 fs). The prevalence of TGA in aqueous semiconducting nanoparticles makes its absorption in the visible spectral region and subsequent dissociation key to understanding the behavior of nanoscale systems.

  10. Compartmental absorption modeling and site of absorption studies to determine feasibility of an extended-release formulation of an HIV-1 attachment inhibitor phosphate ester prodrug.

    PubMed

    Brown, Jonathan; Chien, Caly; Timmins, Peter; Dennis, Andrew; Doll, Walter; Sandefer, Erik; Page, Richard; Nettles, Richard E; Zhu, Li; Grasela, Dennis

    2013-06-01

    BMS-663068 is a phosphonooxymethyl ester prodrug under development for the treatment of HIV/AIDS. The prodrug is designed to overcome the solubility-limited bioavailability of the active moiety, BMS-626529. BMS-663068 is not absorbed from the gastrointestinal (GI) tract and requires enzymatic conversion by alkaline phosphatase to BMS-626529 immediately before absorption. In the light of the known short in vivo half-life of BMS-626529, compartmental absorption modeling was used to predict the potential feasibility of extended-release (ER) delivery to achieve target Cmax :Cmin ratios. To further refine the model with respect to colonic absorption, the regional absorption of BMS-626529 following delivery of BMS-663068 to upper and lower GI sites was characterized through a site of absorption study in human subjects. A refined model was subsequently applied to guide the development of ER tablet formulations. Comparisons of results from the refined model to the in vivo human pharmacokinetic data for three selected ER formulations demonstrate the utility of the model in predicting feasibility of ER delivery and in directing formulation development.

  11. Study of interstellar molecular clouds using formaldehyde absorption toward extragalactic radio sources

    SciTech Connect

    Araya, E. D.; Andreev, N.; Dieter-Conklin, N.; Goss, W. M.

    2014-04-01

    We present new Very Large Array 6 cm H{sub 2}CO observations toward four extragalactic radio continuum sources (B0212+735, 3C 111, NRAO 150, and BL Lac) to explore the structure of foreground Galactic clouds as revealed by absorption variability. This project adds a new epoch in the monitoring observations of the sources reported by Marscher and collaborators in the mid-1990s. Our new observations confirm the monotonic increase in H{sub 2}CO absorption strength toward NRAO 150. We do not detect significant variability of our 2009 spectra with respect to the 1994 spectra of 3C111, B0212+735, and BL Lac; however, we find significant variability of the 3C111 2009 spectrum with respect to archive observations conducted in 1991 and 1992. Our analysis supports that changes in absorption lines could be caused by chemical and/or geometrical gradients in the foreground clouds and not necessarily by small-scale (∼10 AU) high-density molecular clumps within the clouds.

  12. Synchrotron soft X-ray absorption spectroscopy study of carbon and silicon nanostructures for energy applications.

    PubMed

    Zhong, Jun; Zhang, Hui; Sun, Xuhui; Lee, Shuit-Tong

    2014-12-10

    Carbon and silicon materials are two of the most important materials involved in the history of the science and technology development. In the last two decades, C and Si nanoscale materials, e.g., carbon nanotubes, graphene, and silicon nanowires, and quantum dots, have also emerged as the most interesting nanomaterials in nanoscience and nanotechnology for their myriad promising applications such as for electronics, sensors, biotechnology, etc. In particular, carbon and silicon nanostructures are being utilized in energy-related applications such as catalysis, batteries, solar cells, etc., with significant advances. Understanding of the nature of surface and electronic structures of nanostructures plays a key role in the development and improvement of energy conversion and storage nanosystems. Synchrotron soft X-ray absorption spectroscopy (XAS) and related techniques, such as X-ray emission spectroscopy (XES) and scanning transmission X-ray microscopy (STXM), show unique capability in revealing the surface and electronic structures of C and Si nanomaterials. In this review, XAS is demonstrated as a powerful technique for probing chemical bonding, the electronic structure, and the surface chemistry of carbon and silicon nanomaterials, which can greatly enhance the fundamental understanding and also applicability of these nanomaterials in energy applications. The focus is on the unique advantages of XAS as a complementary tool to conventional microscopy and spectroscopy for effectively providing chemical and structural information about carbon and silicon nanostructures. The employment of XAS for in situ, real-time study of property evolution of C and Si nanostructures to elucidate the mechanisms in energy conversion or storage processes is also discussed.

  13. Ultrafast Excited-State Dynamics of 6-Azauracil Studied by Femtosecond Transient Absorption Spectroscopy.

    PubMed

    Hua, XinZhong; Hua, LinQiang; Liu, XiaoJun

    2015-12-31

    The excited-state dynamics of 6-azauracil in different solvents have been studied using femtosecond transient absorption spectroscopy. The molecule is populated to the S2 state with a pump pulse at 264 nm. Broad-band white light continuum which covers from 320 to 600 nm is used as the probe. With a global fitting analysis of the measured transient spectra, three decay time constants, i.e., <0.3, 5.2 ± 0.1, and >1000 ps, are directly obtained in the solvent of acetonitrile. These newly observed lifetime constants are important in clarifying its decay dynamics as well as in providing a criterion for the ultrafast dynamics simulations in 6-azauracil using quantum chemical theories. In combination with previous theoretical works, the main decay channel is proposed: the initially populated S2 decays to S1 through internal conversion in <0.3 ps, followed by an intersystem crossing from S1 to T1 in 5.2 ± 0.1 ps. The >1000 ps component is due to the decay of the T1 state. A comparison of the excited-state dynamics in different solvents reveals that the decay from S1 to T1 shows a clear dependence on the polarity of the solvents. With higher polarity, the S1 excited state decays faster. This observation is in line with the prediction by Etinski et al. [ Phys. Chem. Chem. Phys. 2010 , 12 , 15665 - 15671 ], where a blue-shift of the T1 state potential energy surface leading to an increase of the intersystem crossing rate was proposed. With the new information obtained in the present measurement, a clearer picture of the decay dynamics of 6-azauracil on the S2 excited state is provided.

  14. Kinetic study of carbon dioxide absorption into glycine promoted diethanolamine (DEA)

    NASA Astrophysics Data System (ADS)

    Pudjiastuti, Lily; Susianto, Altway, Ali; IC, Maria Hestia; Arsi, Kartika

    2015-12-01

    In industry, especially petrochemical, oil and natural gas industry, required separation process of CO2 gas which is a corrosive gas (acid gas). This characteristic can damage the plant utility and piping systems as well as reducing the caloric value of natural gas. Corrosive characteristic of CO2 will appear in areas where there is a decrease in temperature and pressure, such as at the elbow pipe, tubing, cooler and injector turbine. From disadvantages as described above, then it is important to do separation process in the CO2 gas stream, one of the method for remove CO2 from the gas stream is reactive absorption using alkanolamine based solution with promotor. Therefore, this study is done to determine the kinetics constant of CO2 absorption in diethanolamine (DEA) solution using a glycine promoter. Glycine is chosen as a promoter because glycine is a primary amine compound which is reactive, moreover, glycine has resistance to high temperatures so it will not easy to degradable and suitable for application in industry. The method used in this study is absorption using laboratory scale wetted wall column equipment at atmospheric of pressure. This study will to provide the reaction kinetics data information in order to optimize the separation process of CO2 in the industrialized world. The experimental results show that rising temperatures from 303,15 - 328,15 K and the increase of concentration of glycine from 1% - 3% weight will increase the absorption rate of carbon dioxide in DEA promoted with glycine by 24,2% and 59,764% respectively, also the reaction kinetic constant is 1.419 × 1012 exp (-3634/T) (m3/kmol.s). This result show that the addition of glycine as a promoter can increase absorption rate of carbon dioxide in diethanolamine solution and cover the weaknesses of diethanolamine solution.

  15. Studies on mass energy-absorption coefficients and effective atomic energy-absorption cross sections for carbohydrates

    NASA Astrophysics Data System (ADS)

    Ladhaf, Bibifatima M.; Pawar, Pravina P.

    2015-04-01

    We measured here the mass attenuation coefficients (μ/ρ) of carbohydrates, Esculine (C15H16O9), Sucrose (C12H22O11), Sorbitol (C6H14O6), D-Galactose (C6H12O6), Inositol (C6H12O6), D-Xylose (C5H10O5) covering the energy range from 122 keV up to 1330 keV photon energies by using gamma ray transmission method in a narrow beam good geometry set-up. The gamma-rays were detected using NaI(Tl) scintillation detection system with a resolution of 8.2% at 662 keV. The attenuation coefficient data were then used to obtain the total attenuation cross-section (σtot), molar extinction coefficients (ε), mass-energy absorption coefficients (μen/ρ) and effective (average) atomic energy-absorption cross section (σa,en) of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.

  16. Local electronic states of Fe{sub 4}N films revealed by x-ray absorption spectroscopy and x-ray magnetic circular dichroism

    SciTech Connect

    Ito, Keita; Toko, Kaoru; Suemasu, Takashi; Takeda, Yukiharu; Saitoh, Yuji; Oguchi, Tamio; Kimura, Akio

    2015-05-21

    We performed x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) measurements at Fe L{sub 2,3} and N K-edges for Fe{sub 4}N epitaxial films grown by molecular beam epitaxy. In order to clarify the element specific local electronic structure of Fe{sub 4}N, we compared experimentally obtained XAS and XMCD spectra with those simulated by a combination of a first-principles calculation and Fermi's golden rule. We revealed that the shoulders observed at Fe L{sub 2,3}-edges in the XAS and XMCD spectra were due to the electric dipole transition from the Fe 2p core-level to the hybridization state generated by σ* anti-bonding between the orbitals of N 2p at the body-centered site and Fe 3d on the face-centered (II) sites. Thus, the observed shoulders were attributed to the local electronic structure of Fe atoms at II sites. As to the N K-edge, the line shape of the obtained spectra was explained by the dipole transition from the N 1s core-level to the hybridization state formed by π* and σ* anti-bondings between the Fe 3d and N 2p orbitals. This hybridization plays an important role in featuring the electronic structures and physical properties of Fe{sub 4}N.

  17. Electronic defect states at the LaAlO3/SrTiO3 heterointerface revealed by O K-edge X-ray absorption spectroscopy.

    PubMed

    Palina, Natalia; Annadi, Anil; Asmara, Teguh Citra; Diao, Caozheng; Yu, Xiaojiang; Breese, Mark B H; Venkatesan, T; Ariando; Rusydi, Andrivo

    2016-05-18

    Interfaces of two dissimilar complex oxides exhibit exotic physical properties that are absent in their parent compounds. Of particular interest is insulating LaAlO3 films on an insulating SrTiO3 substrate, where transport measurements have shown a metal-insulator transition as a function of LaAlO3 thickness. Their origin has become the subject of intense research, yet a unifying consensus remains elusive. Here, we report evidence for the electronic reconstruction in both insulating and conducting LaAlO3/SrTiO3 heterointerfaces revealed by O K-edge X-ray absorption spectroscopy. For the insulating samples, the O K-edge XAS spectrum exhibits features characteristic of electronically active point defects identified as noninteger valence states of Ti. For conducting samples, a new shape-resonance at ∼540.5 eV, characteristic of molecular-like oxygen (empty O-2p band), is observed. This implies that the concentration of electronic defects has increased in proportion with LaAlO3 thickness. For larger defect concentrations, the electronic defect states are no longer localized at the Ti orbitals and exhibit pronounced O 2p-O 2p character. Our results demonstrate that, above a critical thickness, the delocalization of O 2p electronic states can be linked to the presence of oxygen vacancies and is responsible for the enhancement of conductivity at the oxide heterointerfaces.

  18. X-ray absorption spectral studies of copper (II) mixed ligand complexes

    NASA Astrophysics Data System (ADS)

    Soni, B.; Dar, Davood Ah; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

    2014-09-01

    X-ray absorption spectra at the K-edge of copper have been studied in two copper mixed ligand complexes, one having tetramethyethylenediamine (tmen) and the other having tetraethyethylenediamine (teen) as one of the ligands. The spectra have been recorded at BL-8 dispersive extended X-ray absorption fine structure (EXAFS) beamline at the 2.5 GeV INDUS- 2 synchrotron, RRCAT, Indore, India. The data obtained has been processed using the data analysis program Athena. The energy of the K-absorption edge, chemical shift, edge-width and shift of the principal absorption maximum in the complexes have been determined and discussed. The values of these parameters have been found to be approximately the same in both the complexes indicating that the two complexes possess similar chemical environment around the copper metal atom. The chemical shift has been utilized to estimate effective nuclear charge on the absorbing atom. The normalized EXAFS spectra have been Fourier transformed. The position of the first peak in the Fourier transform gives the value of first shell bond length, which is shorter than the actual bond length because of energy dependence of the phase factors in the sine function of the EXAFS equation. This distance is thus the phase- uncorrected bond length. Bond length has also been determined by Levy's, Lytle's and Lytle, Sayers and Stern's (LSS) methods. The results obtained from LSS and the Fourier transformation methods are comparable with each other, since both are phase uncorrected bond lengths.

  19. An x-ray absorption spectroscopy study of Mo oxidation in Pb at elevated temperatures

    SciTech Connect

    Liu, Shanshan; Olive, Daniel; Terry, Jeff; Segre, Carlo U.

    2009-06-30

    The corrosion of fuel cladding and structural materials by lead and lead-bismuth eutectic in the liquid state at elevated temperatures is an issue that must be considered when designing advanced nuclear systems and high-power spallation neutron targets. In this work, lead corrosion studies of molybdenum were performed to investigate the interaction layer as a function of temperature by X-ray absorption spectroscopy. In situ X-ray absorption measurements on a Mo substrate with a 3-6 {micro}m layer of Pb deposited by thermal evaporation were performed at temperatures up to 900 C and at a 15{sup o} angle to the incident X-rays. The changes in the local atomic structure of the corrosion layer are visible in the difference extended X-ray absorption fine structure and the linear combination fitting of the X-ray absorption near-edge structure to as-deposited molybdenum sample and molybdenum oxide (MoO{sub 2} and MoO{sub 3}) standards. The data are consistent with the appearance of MoO{sub 3} in an intermediate temperature range (650-800 C) and the more stable MoO{sub 2} phase dominating at high and low temperatures.

  20. Ethiopian population dermatoglyphic study reveals linguistic stratification of diversity.

    PubMed

    Yohannes, Seile; Bekele, Endashaw

    2015-01-01

    The manifestation of ethnic, blood type, & gender-wise population variations regarding Dermatoglyphic manifestations are of interest to assess intra-group diversity and differentiation. The present study reports on the analysis of qualitaive and quantitative finger Dermatoglyphic traits of 382 individuals cross-sectionally sampled from an administrative region of Ethiopia, consisting of five ethnic cohorts from the Afro-Asiatic & Nilo-Saharan affiliations. These Dermatoglyphic parameters were then applied in the assessment of diversity & differentiation, including Heterozygosity, Fixation, Panmixia, Wahlund's variance, Nei's measure of genetic diversity, and thumb & finger pattern genotypes, which were inturn used in homology inferences as summarized by a Neighbour-Joining tree constructed from Nei's standard genetic distance. Results revealed significant correlation between Dermatoglyphics & population parameters that were further found to be in concordance with the historical accounts of the ethnic groups. Such inductions as the ancient north-eastern presence and subsequent admixure events of the Oromos (PII= 15.01), the high diversity of the Amharas (H= 0.1978, F= 0.6453, and P= 0.4144), and the Nilo-Saharan origin of the Berta group (PII= 10.66) are evidences to this. The study has further tested the possibility of applying Dermatoglyphics in population genetic & anthropologic research, highlighting on the prospect of developing a method to trace back population origins & ancient movement patterns. Additionally, linguistic clustering was deemed significant for the Ethiopian population, coinciding with recent genome wide studies that have ascertained that linguistic clustering as to being more crucial than the geographical patterning in the Ethiopian context. Finally, Dermatoglyphic markers have been proven to be endowed with a strong potential as non-invasive preliminary tools applicable prior to genetic studies to analyze ethnically sub-divided populations and

  1. Ethiopian Population Dermatoglyphic Study Reveals Linguistic Stratification of Diversity

    PubMed Central

    2015-01-01

    The manifestation of ethnic, blood type, & gender-wise population variations regarding Dermatoglyphic manifestations are of interest to assess intra-group diversity and differentiation. The present study reports on the analysis of qualitaive and quantitative finger Dermatoglyphic traits of 382 individuals cross-sectionally sampled from an administrative region of Ethiopia, consisting of five ethnic cohorts from the Afro-Asiatic & Nilo-Saharan affiliations. These Dermatoglyphic parameters were then applied in the assessment of diversity & differentiation, including Heterozygosity, Fixation, Panmixia, Wahlund’s variance, Nei’s measure of genetic diversity, and thumb & finger pattern genotypes, which were inturn used in homology inferences as summarized by a Neighbour-Joining tree constructed from Nei’s standard genetic distance. Results revealed significant correlation between Dermatoglyphics & population parameters that were further found to be in concordance with the historical accounts of the ethnic groups. Such inductions as the ancient north-eastern presence and subsequent admixure events of the Oromos (PII= 15.01), the high diversity of the Amharas (H= 0.1978, F= 0.6453, and P= 0.4144), and the Nilo-Saharan origin of the Berta group (PII= 10.66) are evidences to this. The study has further tested the possibility of applying Dermatoglyphics in population genetic & anthropologic research, highlighting on the prospect of developing a method to trace back population origins & ancient movement patterns. Additionally, linguistic clustering was deemed significant for the Ethiopian population, coinciding with recent genome wide studies that have ascertained that linguistic clustering as to being more crucial than the geographical patterning in the Ethiopian context. Finally, Dermatoglyphic markers have been proven to be endowed with a strong potential as non-invasive preliminary tools applicable prior to genetic studies to analyze ethnically sub

  2. Ethiopian population dermatoglyphic study reveals linguistic stratification of diversity.

    PubMed

    Yohannes, Seile; Bekele, Endashaw

    2015-01-01

    The manifestation of ethnic, blood type, & gender-wise population variations regarding Dermatoglyphic manifestations are of interest to assess intra-group diversity and differentiation. The present study reports on the analysis of qualitaive and quantitative finger Dermatoglyphic traits of 382 individuals cross-sectionally sampled from an administrative region of Ethiopia, consisting of five ethnic cohorts from the Afro-Asiatic & Nilo-Saharan affiliations. These Dermatoglyphic parameters were then applied in the assessment of diversity & differentiation, including Heterozygosity, Fixation, Panmixia, Wahlund's variance, Nei's measure of genetic diversity, and thumb & finger pattern genotypes, which were inturn used in homology inferences as summarized by a Neighbour-Joining tree constructed from Nei's standard genetic distance. Results revealed significant correlation between Dermatoglyphics & population parameters that were further found to be in concordance with the historical accounts of the ethnic groups. Such inductions as the ancient north-eastern presence and subsequent admixure events of the Oromos (PII= 15.01), the high diversity of the Amharas (H= 0.1978, F= 0.6453, and P= 0.4144), and the Nilo-Saharan origin of the Berta group (PII= 10.66) are evidences to this. The study has further tested the possibility of applying Dermatoglyphics in population genetic & anthropologic research, highlighting on the prospect of developing a method to trace back population origins & ancient movement patterns. Additionally, linguistic clustering was deemed significant for the Ethiopian population, coinciding with recent genome wide studies that have ascertained that linguistic clustering as to being more crucial than the geographical patterning in the Ethiopian context. Finally, Dermatoglyphic markers have been proven to be endowed with a strong potential as non-invasive preliminary tools applicable prior to genetic studies to analyze ethnically sub-divided populations and

  3. Atomic absorption spectrophotometric and X-ray studies of respirable dusts in Indian coal mines

    SciTech Connect

    Rawat, N.S.; Sinha, J.D.; Sahoo, B.

    1982-01-01

    Quantitative determination of 10 minor and 8 trace elements in respirable coal dust by atomic absorption spectrophotometry is described herein. The coal dust samples were collected in the mine atmosphere during drilling in coal seams. A ''Hexhlet'' appratus specially designed and fitted with a horizontal elutriator was used to collect the respirable coal dust fraction. After destruction of organic matter by wet oxidation and filtering off the clay and silica, iron, calcium, magnesium, sodium, potassium, manganese, zinc, copper, cadmium, and nickel were determined directly in the resulting solution by atomic absorption spectrophotometry. The studies relate to a respiratoy disease-pneumoconiosis-affecting coal mine workers. X-Ray diffraction studies have shown the presence of kaolin, quartz, pirrsonite and beidellite clay minerals in the coal dust.

  4. Atomic structure of machined semiconducting chips: An x-ray absorption spectroscopy study

    SciTech Connect

    Paesler, M.; Sayers, D.

    1988-12-01

    X-ray absorption spectroscopy (XAS) has been used to examine the atomic structure of chips of germanium that were produced by single point diamond machining. It is demonstrated that although the local (nearest neighbor) atomic structure is experimentally quite similar to that of single crystal specimens information from more distant atoms indicates the presence of considerable stress. An outline of the technique is given and the strength of XAS in studying the machining process is demonstrated.

  5. Optical and ultraviolet absorption studies of cool gas in the Milky Way halo

    NASA Technical Reports Server (NTRS)

    Danly, L.

    1990-01-01

    This paper focuses on the contributions from absorption techniques to the knowledge of halo gas with temperatures below 10 to the 5th K. The results from observations of the neutral and singly ionized species on the nature of cool gas in the halo, its structure and its kinematics are presented. An overview of past and optical and ultraviolet observational studies of halo gas is included.

  6. The electronic absorption study of imide anion radicals in terms of time dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Andrzejak, Marcin; Sterzel, Mariusz; Pawlikowski, Marek T.

    2005-07-01

    The absorption spectra of the N-(2,5-di- tert-butylphenyl) phthalimide ( 1-), N-(2,5-di- tert-butylphenyl)-1,8-naphthalimide ( 2-) and N-(2,5-di- tert-butylphenyl)-perylene-3,4-dicarboximide ( 3-) anion radicals are studied in terms of time dependent density functional theory (TDDFT). For these anion radicals a large number electronic states (from 30 to 60) was found in the visible and near-IR regions (5000-45000 cm -1). In these regions the TD/B3LYP treatment at the 6-1+G* level is shown to reproduce satisfactorily the empirical absorption spectra of all three anion radicals studied. The most apparent discrepancies between purely electronic theory and the experiment could be found in the excitation region corresponding to D0→ D1 transitions in the 2- and 3- molecules. For these species we argue that the structures seen in the lowest energy part of the absorptions of the 2- and 3- species are very likely due to Franck-Condon (FC) activity of the totally symmetric vibrations not studied in this Letter.

  7. High temperature extended x-ray absorption fine structure study of multiferroic BiFeO3

    NASA Astrophysics Data System (ADS)

    Raghavendra Reddy, V.; Meneghini, Carlo; Kothari, Deepti; Gupta, Ajay; Aquilanti, Giuliana

    2012-08-01

    Local atomic structure modifications around Fe atoms in polycrystalline multiferroic BiFeO3 are studied by Fe K edge x-ray absorption spectroscopy as a function of temperature across the Néel temperature (TN = 643 K) in order to reveal local structure modifications related to the magnetic transition. This work demonstrates that on crossing TN the local structure around Fe shows peculiar changes: the Fe-O bond lengths get shorter, the ligand symmetry increases and the Fe-O bond length disorder (σ2) deviates from Debye behaviour. These results suggest that the structural transition at the ferroelectric Curie temperature (TC = 1103 K) is anticipated by early local rearrangement of the structure starting already at TN.

  8. Nonlinear absorption kinetics of self-emulsifying drug delivery systems (SEDDS) containing tocotrienols as lipophilic molecules: in vivo and in vitro studies.

    PubMed

    Alqahtani, Saeed; Alayoubi, Alaadin; Nazzal, Sami; Sylvester, Paul W; Kaddoumi, Amal

    2013-07-01

    Self-emulsifying drug delivery systems (SEDDS) have been broadly used to promote the oral absorption of poorly water-soluble drugs. The purpose of the current study was to evaluate the in vivo oral bioavailability of vitamin E isoforms, δ-tocotrienol (δ-T3) and γ-tocotrienol (γ-T3) administered as SEDDS, as compared to commercially available UNIQUE E® Tocotrienols capsules. Results from studies in rats showed that low dose treatment with δ-T3 (90%) and γ-T3 (10%) formulated SEDDS showed bioavailability of 31.5% and 332%, respectively. However, bioavailability showed a progressive decrease with increased treatment dose that displayed nonlinear absorption kinetics. Additional in vitro studies examining cellular uptake studies in Caco 2 cells revealed that the SEDDS formulation increased passive permeability of δ-T3 and γ-T3 by threefold as compared to the commercial capsule formulation. These studies also showed that free surfactants decreased δ-T3 and γ-T3 absorption. Specifically, combined treatment cremophor EL or labrasol with tocotrienols caused a 60-85% reduction in the cellular uptake of δ-T3 and γ-T3 and these effects appear to result from surfactant-induced inhibition of the δ-T3 and γ-T3 transport protein Niemann-Pick C1-like 1 (NPC1L1). In summary, results showed that SEDDS formulation significantly increases the absorption and bioavailability δ-T3 and γ-T3. However, this effect is self-limiting because treatment with increasing doses of SEDDS appears to be associated with a corresponding increase in free surfactants levels that directly and negatively impact tocotrienol transport protein function and results in nonlinear absorption kinetics and a progressive decrease in δ-T3 and γ-T3 absorption and bioavailability.

  9. Transcutaneous absorption of oil in preterm babies--a pilot study.

    PubMed

    Fernandez, A R; Krishnamoorthy, G; Patil, N; Mondkar, J A; Swar, B D

    2005-03-01

    This study was conducted to determine transcutaneous absorption of oil in preterm neonates. A mixture of coconut oil and Meadowfoam oil which contains unique fatty acids, which acted as marker fatty acids was applied to the skin of babies. One mL blood was collected before and one hour after post oil application. Both pre and post oil application serum samples were hydrolysed and derivatised with 2-phenyl hydrazine hydrochloride in order to detect fatty acids by HPLC analysis on C-8 column. None of the pre oil application serum sample showed the presence of the marker fatty acids. The post oil application serum sample of all the 12 babies showed the presence of marker fatty acids of Meadowfoam oil which indicates transcutaneous absorption of oil in preterm babies.

  10. Optical-absorption study of RuS2 - xSex single crystals

    NASA Astrophysics Data System (ADS)

    Huang, Jeng-Kuang; Huang, Ying-Sheng; Yang, Tzuen-Rong

    1995-08-01

    An optical-absorption study of synthetic RuS2-xSex single crystals is reported over a temperature range from 80 to 300 K. The data are fitted to several expressions for the shape of the absorption edge, with the best fit being to that expected for indirect allowed transitions. The band gaps at any temperature varies smoothly with the Se composition x, indicating that the nature of the band edges are similar for RuS2, RuSe2, and the compounds of intermediate compositions. The indirect band gaps of various temperatures are determined and their temperature dependence are analyzed by the Varshni equation [Physica 34, 149 (1967)] and an empirical expression proposed by O'Donnell and Chen [Appl. Phys. Lett. 58, 2924 (1991)]. The parameters that describe the temperature dependence of energy gap of RuS2-xSex are evaluated and discussed.

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

    SciTech Connect

    Westre, T.E.

    1996-01-01

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

  12. Review of Russian language studies on radionuclide behaviour in agricultural animals: part 1. Gut absorption.

    PubMed

    Fesenko, S; Isamov, N; Howard, B J; Voigt, G; Beresford, N A; Sanzharova, N

    2007-01-01

    An extensive programme of experiments was conducted in the former USSR on transfer of radionuclides to a wide range of different agricultural animals. Only a few of these studies were made available in the English language literature or taken into account in international reviews of gastrointestinal uptake. The paper gives extended information on Russian research on radionuclide absorption in the gut of farm animals performed in controlled field and laboratory experiments from the 1960s to the current time. The data presented in the paper, together with English language values, will be used to provide recommended values of absorption specifically for farm animals within the revision of the IAEA Handbook of Parameter Values IAEA [International Atomic Energy Agency, 1994. Handbook of Parameter Values for the Prediction of Radionuclide Transfer in Temperate Environments, IAEA technical reports series No. 364. International Atomic Energy Agency, Vienna].

  13. Parametric study of power absorption from electromagnetic waves by small ferrite spheres

    NASA Technical Reports Server (NTRS)

    Englert, Gerald W.

    1989-01-01

    Algebraic expressions in terms of elementary mathematical functions are derived for power absorption and dissipation by eddy currents and magnetic hysteresis in ferrite spheres. Skin depth is determined by using a variable inner radius in descriptive integral equations. Numerical results are presented for sphere diameters less than one wavelength. A generalized power absorption parameter for both eddy currents and hysteresis is expressed in terms of the independent parameters involving wave frequency, sphere radius, resistivity, and complex permeability. In general, the hysteresis phenomenon has a greater sensitivity to these independent parameters than do eddy currents over the ranges of independent parameters studied herein. Working curves are presented for obtaining power losses from input to the independent parameters.

  14. [Study on experiment of absorption spectroscopy detection of pesticide residues of carbendazim in orange juice].

    PubMed

    Ji, Ren-Dong; Chen, Meng-Lan; Zhao, Zhi-Min; Zhu, Xing-Yue; Wang, Le-Xin; Liu, Quan-Jin

    2014-03-01

    Absorption spectra were studied for the carbendazim, in the mixed solution of orange juice and carbendazim using spectrophotometer. The most intensive characteristic peak (285 nm) was found in the spectrum of carbendazim standard solution. Compared with the carbendazim drug solution, the peak position of absorption spectrum has the blue shift (285-280 nm) when carbendazim (0.28 mg x mL(-1))was added in the orange juice. So that we can conclude that interaction happened between the orange juice and carbendazim. Through the method of least squares fitting, the prediction models between the absorbance of orange juice and carbendazim content was obtained with a good linear relationship. The linear function model was: I = 2.41 + 9.26x, the correlation coefficient was 0.996, and the recovery was: 81%-102%. According to the regression model, we can obtain the amount of carbendazim pesticide residues in orange juice. It was verified that the method of using ultraviolet-visible absorption spectra was feasible to detect the carbendazim residues in orange juice. The result proved that it is possible to detect pesticide residues of carbendazim in orange juice, and it can meet the needs of rapid analysis. This study provides a new way for the detection of pesticide residues.

  15. Studies on different iron source absorption by in situ ligated intestinal loops of broilers.

    PubMed

    Jia, Y F; Jiang, M M; Sun, J; Shi, R B; Liu, D S

    2015-02-01

    The objective of this study was to investigate the iron source absorption in the small intestine of broiler. In situ ligated intestinal loops of 70 birds were poured into one of seven solutions, including inorganic iron (FeSO4, Fe2(SO4)3), organic Fe glycine chelate (Fe-Gly(II), Fe-Gly(III)), the mixtures (FeSO4 with glycine (Fe+Gly(II)), Fe2(SO4)3 with glycine (Fe+Gly(III)), and no Fe source (control). The total volume of 3-mL solution (containing 1 mg of elemental Fe) was injected into intestinal loops, and then 120-min incubation was performed. Compared with inorganic iron groups, in which higher FeSO4 absorption than Fe2(SO4)3 was observed, supplementation with organic Fe glycine chelate significantly increased the Fe concentration in the duodenum and jejunum (P < 0.05), however, decreased DMT1 and DcytB messenger RNA (mRNA) levels (P < 0.05). Organic Fe glycine chelate (Fe-Gly(II), Fe-Gly(III)) increased serum iron concentration (SI), compared with inorganic 3 valence iron groups (Fe2(SO4)3 and Fe+Gly(III)) (P < 0.05); moreover, lower TIBC value was observed for the chelate (P < 0.05); however, mixture of inorganic iron and glycine did not have a positive role at DMT1 and DcytB mRNA levels, SI and Fe concentrations in the small intestine. Those results indicated that the absorption of organic Fe glycine chelate was more effective than that of inorganic Fe, and the orders of iron absorption in the small intestine were: Fe-Gly(II), Fe-Gly(III) > FeSO4, Fe+Gly(II) > Fe2(SO4)3, Fe+Gly(III). Additionally, the simple mixture of inorganic iron and glycine could not increase Fe absorption, and the duodenum was the main site of Fe absorption in the intestines of broilers and the ileum absorbed iron rarely.

  16. Numerical and experimental study of the effect of microslits on the normal absorption of structural metamaterials

    NASA Astrophysics Data System (ADS)

    Ruiz, H.; Claeys, C. C.; Deckers, E.; Desmet, W.

    2016-03-01

    Resonant metamaterials are emerging as novel concepts to reduce noise levels in targeted frequency zones, so-called stop bands. The metamaterial concept improves acoustic behaviour through an increase of the insertion loss. This paper concerns a first investigation on the absorption capabilities of a resonant metamaterial when thermo-viscous effects are incorporated via the addition of microslits. In a previous work, a resonant metamaterial was obtained through the inclusion of resonating structures into cavities of an open honeycomb assembly. In this study, the air gap of the honeycomb structure is reduced so as to provide viscous losses for the travelling waves. Considering that the created resonant structures with open cavities are rigid, an equivalent fluid model is used to calculate the acoustical properties of a so called microslit metamaterial. It is demonstrated that the unit cell structure can be divided into parallel elements for which the acoustic impedance can be computed via the transfer matrix approach TMM in parallel and series. Likewise, it is shown that the structural response can be predicted by FEM models allowing studying the structural effects separately from the viscous-thermal effects predicted by the equivalent fluid model. Moreover, the combined effect of both approaches is shown experimentally where it is observed that: (i) The absorption of the resonant metamaterial is increased by the addition of microslits, (ii) the modes of the test sample appear as small peaks on the absorption curve of the microslit metamaterial, (iii) the structural modes are grouped below and above the stop band and, (iv) the resonant structures do not lead to additional absorption in the stop band region. Analytical models are compared to experimental measurements to validate the models and to show the potential of this material assembly.

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

    NASA Astrophysics Data System (ADS)

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

    2001-12-01

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

  18. Negative thermal expansion in CuCl: An extended x-ray absorption fine structure study

    SciTech Connect

    Vaccari, M.; Grisenti, R.; Fornasini, P.; Rocca, F.; Sanson, A.

    2007-05-01

    Extended x-ray absorption fine structure (EXAFS) has been measured from liquid helium to ambient temperature at the Cu K edge of copper chloride (CuCl) to investigate the local origin of negative thermal expansion. A quantitative analysis of the first coordination shell, performed by the cumulant method, reveals that the nearest-neighbor Cu-Cl interatomic distance undergoes a strong positive expansion, contrasting with the much weaker negative expansion of the crystallographic distance between average atomic positions below 100 K. The anisotropy of relative thermal vibrations, monitored by the ratio {gamma} between perpendicular and parallel mean square relative displacements, is considerably high, while the diffraction thermal factors are isotropic. The relative perpendicular vibrations measured by EXAFS are related to the tension mechanism and to the transverse acoustic modes, which are considered responsible for negative thermal expansion in zinc-blende structures.

  19. Broadband transient absorption study of photoexcitations in lead halide perovskites: Towards a multiband picture

    NASA Astrophysics Data System (ADS)

    Anand, Benoy; Sampat, Siddharth; Danilov, Evgeny O.; Peng, Weina; Rupich, Sara M.; Chabal, Yves J.; Gartstein, Yuri N.; Malko, Anton V.

    2016-04-01

    Ultrafast transient pump-probe measurements of thin CH3NH3PbI3 perovskite films over a wide spectral range from 350 to 800 nm reveal a family of photoinduced bleach (PB) and absorption (PA) features unequivocally pointing to the fundamentally multiband character of the underlying electronic structure. Excitation pump-energy dependent kinetics of three long-lived PB peaks at 1.65, 2.55, and 3.15 eV along with a broad PA band shows the involvement of band-edge thermalized carriers in all transitions and at least four, possibly more, electronic bands. The evolution of the transient signatures is described in terms of the redistribution of the conserved oscillator strength of the whole system. The multiband perspective opens up different directions for understanding and controlling photoexcitations in hybrid perovskites.

  20. [Study on the absorption and fluorescence spectra of ethylene glycol and glycerol].

    PubMed

    Xu, Hui; Zhu, Tuo; Yu, Rui-Peng

    2007-07-01

    The absorption and fluorescence spectra of ethylene glycol and glycerol solution induced by UV light were studied respectively in the present paper. The most intense absorption wavelength for both of them was located at 198 nm. Moreover, fluorescence was detected when induced by suitable UV light, and the corresponding fluorescence spectra were listed. But there is no obvious relationship found between the fluorescence intensity and the excited wavelength, and a further research should be done. From the first derivative fluorescence spectra of ethylene glycol, it was concluded that under the UV light of 210 nm, the variation speed for relative intensity proved to be the fastest. In contrast, when excited by 225 nm, the speed proved to be the slowest. In addition, based on the quantum calculation and the transition from HOMO to LUMO of electronics in one-dimensional quantum well, the authors attempted to give out the value of absorption wavelength. In consideration of the bond-length variety brought out by the chain processing, the error between the experimental and calculation values should be apprehensible, and the latter can serve as some reference value in theory.

  1. A study on collapse behavior and energy absorption capability of Al/CFRP hybrid structural member

    NASA Astrophysics Data System (ADS)

    Hwang, Woo-Chae; Lee, Kil-Sung; Yang, Yong-Jun; Choi, Ju-Ho; Jung, Jong-An; Cha, Cheon-Seok; Yang, In-Young

    2012-04-01

    In vehicle industry, the design of vehicle should be inclined towards the safety performance aspect, at the same time; it also should have weight loss of a vehicles structural member. In this study, experimental investigations are performed for Al/CFRP Hybrid structural members. They are cured by heating to the appropriate curing temperature (130°C) by means of a heater at the vacuum bag of the autoclave. Because the CFRP is an anisotropic material whose mechanical properties, such as strength and elasticity, change with its stacking condition, special attention was given to the effects of the stacking condition on the collapse behavior evaluation of the Al/CFRP Hybrid structural members. The collapse mode and energy absorption capability of the Al/CFRP Hybrid structural members was analyzed with change of the fiber orientation. The stacking condition were selected to investigate the effect of the fiber orientation angle (+/-15°, +/-45°, 90°, 0°/90°and 90°/0° where 0°direction coincides with axis of the member)on the energy absorption of the Al/CFRP Hybrid structural members. The collapse mode and energy absorption capability of Al/CFRP Hybrid structural members was analyzed with change of the fiber orientation of CFRP.

  2. A study on collapse behavior and energy absorption capability of Al/CFRP hybrid structural member

    NASA Astrophysics Data System (ADS)

    Hwang, Woo-Chae; Lee, Kil-Sung; Yang, Yong-Jun; Choi, Ju-Ho; Jung, Jong-An; Cha, Cheon-Seok; Yang, In-Young

    2011-11-01

    In vehicle industry, the design of vehicle should be inclined towards the safety performance aspect, at the same time; it also should have weight loss of a vehicles structural member. In this study, experimental investigations are performed for Al/CFRP Hybrid structural members. They are cured by heating to the appropriate curing temperature (130°C) by means of a heater at the vacuum bag of the autoclave. Because the CFRP is an anisotropic material whose mechanical properties, such as strength and elasticity, change with its stacking condition, special attention was given to the effects of the stacking condition on the collapse behavior evaluation of the Al/CFRP Hybrid structural members. The collapse mode and energy absorption capability of the Al/CFRP Hybrid structural members was analyzed with change of the fiber orientation. The stacking condition were selected to investigate the effect of the fiber orientation angle (+/-15°, +/-45°, 90°, 0°/90°and 90°/0° where 0°direction coincides with axis of the member)on the energy absorption of the Al/CFRP Hybrid structural members. The collapse mode and energy absorption capability of Al/CFRP Hybrid structural members was analyzed with change of the fiber orientation of CFRP.

  3. Energy absorption ability of buckyball C720 at low impact speed: a numerical study based on molecular dynamics

    PubMed Central

    2013-01-01

    The dynamic impact response of giant buckyball C720 is investigated by using molecular dynamics simulations. The non-recoverable deformation of C720 makes it an ideal candidate for high-performance energy absorption. Firstly, mechanical behaviors under dynamic impact and low-speed crushing are simulated and modeled, which clarifies the buckling-related energy absorption mechanism. One-dimensional C720 arrays (both vertical and horizontal alignments) are studied at various impact speeds, which show that the energy absorption ability is dominated by the impact energy per buckyball and less sensitive to the number and arrangement direction of buckyballs. Three-dimensional stacking of buckyballs in simple cubic, body-centered cubic, hexagonal, and face-centered cubic forms are investigated. Stacking form with higher occupation density yields higher energy absorption. The present study may shed lights on employing C720 assembly as an advanced energy absorption system against low-speed impacts. PMID:23360618

  4. Variability, absorption features, and parent body searches in "spectrally featureless" meteorite reflectance spectra: Case study - Tagish Lake

    NASA Astrophysics Data System (ADS)

    Izawa, M. R. M.; Craig, M. A.; Applin, D. M.; Sanchez, J. A.; Reddy, V.; Le Corre, L.; Mann, P.; Cloutis, E. A.

    2015-07-01

    Reflectance spectra of many asteroids and other Solar System bodies are commonly reported as "featureless". Here, we show that weak but consistently detectable absorption bands are observable in 200-2500 nm spectra of the Tagish Lake meteorite, a likely compositional and spectral analogue for low-albedo, "spectrally-featureless" asteroids. Tagish Lake presents a rare opportunity to study multiple lithologies within a single meteorite. Reflectance spectra of Tagish Lake display significant variation between different lithologies. The spectral variations are due in part to mineralogical variations between different Tagish Lake lithologies. Ultraviolet reflectance spectra (200-400 nm), few of which have been reported in the literature to date, reveal albedo and spectral ratio variations as a function of mineralogy. Similarly visible-near infrared reflectance spectra reveal variations in albedo, spectral slope, and the presence of weak absorption features that persist across different lithologies and can be attributed to various phases present in Tagish Lake. These observations demonstrate that significant spectral variability may exist between different lithologies of Tagish Lake, which may affect the interpretation of potential source body spectra. It is also important to consider the spectral variability within the meteorite before excluding compositional links between possible parent bodies in the main belt and Tagish Lake. Tagish Lake materials may also be spectral-compositional analogues for materials on the surfaces of other dark asteroids, including some that are targets of upcoming spacecraft missions. Tagish Lake has been proposed as a spectral match for 'ultra-primitive' D or P-type asteroids, and the variability reported here may be reflected in spatially or rotationally-resolved spectra of possible Tagish Lake parent bodies and source objects in the Near-Earth Asteroid population. A search for objects with spectra similar to Tagish Lake has been carried

  5. In-situ x-ray absorption study of copper films in ground watersolutions

    SciTech Connect

    Kvashnina, K.O.; Butorin, S.M.; Modin, A.; Soroka, I.; Marcellini, M.; Nordgren, J.; Guo, J.-H.; Werme, L.

    2007-10-29

    This study illustrates how the damage from copper corrosion can be reduced by modifying the chemistry of the copper surface environment. The surface modification of oxidized copper films induced by chemical reaction with Cl{sup -} and HCO{sub 3}{sup -} in aqueous solutions was monitored by in situ X-ray absorption spectroscopy. The results show that corrosion of copper can be significantly reduced by adding even a small amount of sodium bicarbonate. The studied copper films corroded quickly in chloride solutions, whereas the same solution containing 1.1 mM HCO{sub 3}{sup -} prevented or slowed down the corrosion processes.

  6. Single molecule studies reveal new mechanisms for microtubule severing

    NASA Astrophysics Data System (ADS)

    Ross, Jennifer; Diaz-Valencia, Juan Daniel; Morelli, Margaret; Zhang, Dong; Sharp, David

    2011-03-01

    Microtubule-severing enzymes are hexameric complexes made from monomeric enzyme subunits that remove tubulin dimers from the microtubule lattice. Severing proteins are known to remodel the cytoskeleton during interphase and mitosis, and are required in proper axon morphology and mammalian bone and cartilage development. We have performed the first single molecule imaging to determine where and how severing enzymes act to cut microtubules. We have focused on the original member of the group, katanin, and the newest member, fidgetin to compare their biophysical activities in vitro. We find that, as expected, severing proteins localize to areas of activity. Interestingly, the association is very brief: they do not stay bound nor do they bind cooperatively at active sites. The association duration changes with the nucleotide content, implying that the state in the catalytic cycle dictates binding affinity with the microtubule. We also discovered that, at lower concentrations, both katanin and fidgetin can depolymerize taxol-stabilized microtubules by removing terminal dimers. These studies reveal the physical regulation schemes to control severing activity in cells, and ultimately regulate cytoskeletal architecture. This work is supported by the March of Dimes Grant #5-FY09-46.

  7. X-ray absorption spectroscopy and EPR studies of oriented spinach thylakoid preparations

    SciTech Connect

    Andrews, J.C. |

    1995-08-01

    In this study, oriented Photosystem II (PS II) particles from spinach chloroplasts are studied with electron paramagnetic resonance (EPR) and x-ray absorption spectroscopy (XAS) to determine more details of the structure of the oxygen evolving complex (OEC). The nature of halide binding to Mn is also studied with Cl K-edge and Mn EXAFS (extended x-ray absorption fine structure) of Mn-Cl model compounds, and with Mn EXAFS of oriented PS II in which Br has replaced Cl. Attention is focused on the following: photosynthesis and the oxygen evolving complex; determination of mosaic spread in oriented photosystem II particles from signal II EPR measurement; oriented EXAFS--studies of PS II in the S{sub 2} state; structural changes in PS II as a result of treatment with ammonia: EPR and XAS studies; studies of halide binding to Mn: Cl K-edge and Mn EXAFS of Mn-Cl model compounds and Mn EXAFS of oriented Br-treated photosystem II.

  8. In vitro predictions of skin absorption of caffeine, testosterone, and benzoic acid: a multi-centre comparison study.

    PubMed

    van de Sandt, J J M; van Burgsteden, J A; Cage, S; Carmichael, P L; Dick, I; Kenyon, S; Korinth, G; Larese, F; Limasset, J C; Maas, W J M; Montomoli, L; Nielsen, J B; Payan, J-P; Robinson, E; Sartorelli, P; Schaller, K H; Wilkinson, S C; Williams, F M

    2004-06-01

    To obtain better insight into the robustness of in vitro percutaneous absorption methodology, the intra- and inter-laboratory variation in this type of study was investigated in 10 European laboratories. To this purpose, the in vitro absorption of three compounds through human skin (9 laboratories) and rat skin (1 laboratory) was determined. The test materials were benzoic acid, caffeine, and testosterone, representing a range of different physico-chemical properties. All laboratories performed their studies according to a detailed protocol in which all experimental details were described and each laboratory performed at least three independent experiments for each test chemical. All laboratories assigned the absorption of benzoic acid through human skin, the highest ranking of the three compounds (overall mean flux of 16.54+/-11.87 microg/cm(2)/h). The absorption of caffeine and testosterone through human skin was similar, having overall mean maximum absorption rates of 2.24+/-1.43 microg/cm(2)/h and 1.63+/-1.94 microg/cm(2)/h, respectively. In 7 out of 9 laboratories, the maximum absorption rates of caffeine were ranked higher than testosterone. No differences were observed between the mean absorption through human skin and the one rat study for benzoic acid and testosterone. For caffeine the maximum absorption rate and the total penetration through rat skin were clearly higher than the mean value for human skin. When evaluating all data, it appeared that no consistent relation existed between the diffusion cell type and the absorption of the test compounds. Skin thickness only slightly influenced the absorption of benzoic acid and caffeine. In contrast, the maximum absorption rate of testosterone was clearly higher in the laboratories using thin, dermatomed skin membranes. Testosterone is the most lipophilic compound and showed also a higher presence in the skin membrane after 24 h than the two other compounds. The results of this study indicate that the in

  9. Carbon dioxide postcombustion capture: a novel screening study of the carbon dioxide absorption performance of 76 amines.

    PubMed

    Puxty, Graeme; Rowland, Robert; Allport, Andrew; Yang, Qi; Bown, Mark; Burns, Robert; Maeder, Marcel; Attalla, Moetaz

    2009-08-15

    The significant and rapid reduction of greenhouse gas emissions is recognized as necessary to mitigate the potential climate effects from global warming. The postcombustion capture (PCC) and storage of carbon dioxide (CO2) produced from the use of fossil fuels for electricity generation is a key technology needed to achieve these reductions. The most mature technology for CO2 capture is reversible chemical absorption into an aqueous amine solution. In this study the results from measurements of the CO2 absorption capacity of aqueous amine solutions for 76 different amines are presented. Measurements were made using both a novel isothermal gravimetric analysis (IGA) method and a traditional absorption apparatus. Seven amines, consisting of one primary, three secondary, and three tertiary amines, were identified as exhibiting outstanding absorption capacities. Most have a number of structural features in common including steric hindrance and hydroxyl functionality 2 or 3 carbons from the nitrogen. Initial CO2 absorption rate data from the IGA measurements was also used to indicate relative absorption rates. Most of the outstanding performers in terms of capacity also showed initial absorption rates comparable to the industry standard monoethanolamine (MEA). This indicates, in terms of both absorption capacity and kinetics, that they are promising candidates for further investigation.

  10. Human in vivo and in vitro studies on gastrointestinal absorption of titanium dioxide nanoparticles.

    PubMed

    Jones, Kate; Morton, Jackie; Smith, Ian; Jurkschat, Kerstin; Harding, Anne-Helen; Evans, Gareth

    2015-03-01

    The study was designed to conduct human in vivo and in vitro studies on the gastrointestinal absorption of nanoparticles, using titanium dioxide as a model compound, and to compare nanoparticle behaviour with that of larger particles. A supplier's characterisation data may not fully describe a particle formulation. Most particles tested agreed with their supplied characterisation when assessed by particle number but significant proportions of 'nanoparticle formulations' were particles >100nm when assessed by particle weight. Oral doses are measured by weight and it is therefore important that the weight characterisation is taken into consideration. The human volunteer studies demonstrated that very little titanium dioxide is absorbed gastrointestinally after an oral challenge. There was no demonstrable difference in absorption for any of the three particle sizes tested. All tested formulations were shown to agglomerate in simulated gastric fluid, particularly in the smaller particle formulations. Further agglomeration was observed when dispersing formulations in polymeric or elemental foods. Virtually no translocation of titanium dioxide particles across the cell layer was demonstrated. This study found no evidence that nanoparticulate titanium dioxide is more likely to be absorbed in the gut than micron-sized particles.

  11. Model studies of laser absorption computed tomography for remote air pollution measurement

    NASA Technical Reports Server (NTRS)

    Wolfe, D. C., Jr.; Byer, R. L.

    1982-01-01

    Model studies of the potential of laser absorption-computed tomography are presented which demonstrate the possibility of sensitive remote atmospheric pollutant measurements, over kilometer-sized areas, with two-dimensional resolution, at modest laser source powers. An analysis of this tomographic reconstruction process as a function of measurement SNR, laser power, range, and system geometry, shows that the system is able to yield two-dimensional maps of pollutant concentrations at ranges and resolutions superior to those attainable with existing, direct-detection laser radars.

  12. X-Ray Absorption Spectroscopy Study of Copper Doped ZnO Thin Films

    SciTech Connect

    Ma Qing

    2007-02-02

    X-ray absorption spectroscopy technique is used to study copper-doped ZnO thin films, prepared by pulsed-laser deposition. The samples with various doping levels are examined. It is found that the samples contain metallic clusters with the sizes {<=} 2 nm as well as Cu1+ and Cu2+ states. The Cu1+ states exist as stable oxide clusters, while the Cu2+ ones participate in the ZnO lattice some of which may be pertaining to the surfaces of the Cu clusters as well. The copper clusters of {approx}1 nm are unstable and fragment under monochromatic x-ray beam illumination.

  13. Total Absorption Spectroscopy Study of (92)Rb Decay: A Major Contributor to Reactor Antineutrino Spectrum Shape.

    PubMed

    Zakari-Issoufou, A-A; Fallot, M; Porta, A; Algora, A; Tain, J L; Valencia, E; Rice, S; Bui, V M; Cormon, S; Estienne, M; Agramunt, J; Äystö, J; Bowry, M; Briz, J A; Caballero-Folch, R; Cano-Ott, D; Cucoanes, A; Elomaa, V-V; Eronen, T; Estévez, E; Farrelly, G F; Garcia, A R; Gelletly, W; Gomez-Hornillos, M B; Gorlychev, V; Hakala, J; Jokinen, A; Jordan, M D; Kankainen, A; Karvonen, P; Kolhinen, V S; Kondev, F G; Martinez, T; Mendoza, E; Molina, F; Moore, I; Perez-Cerdán, A B; Podolyák, Zs; Penttilä, H; Regan, P H; Reponen, M; Rissanen, J; Rubio, B; Shiba, T; Sonzogni, A A; Weber, C

    2015-09-01

    The antineutrino spectra measured in recent experiments at reactors are inconsistent with calculations based on the conversion of integral beta spectra recorded at the ILL reactor. (92)Rb makes the dominant contribution to the reactor antineutrino spectrum in the 5-8 MeV range but its decay properties are in question. We have studied (92)Rb decay with total absorption spectroscopy. Previously unobserved beta feeding was seen in the 4.5-5.5 region and the GS to GS feeding was found to be 87.5(25)%. The impact on the reactor antineutrino spectra calculated with the summation method is shown and discussed. PMID:26382674

  14. EPR and optical absorption study of Cu2+ doped lithium sulphate monohydrate (LSMH) single crystals

    NASA Astrophysics Data System (ADS)

    Sheela, K. Juliet; Krishnan, S. Radha; Shanmugam, V. M.; Subramanian, P.

    2016-05-01

    EPR study of Cu2+ doped NLO active Lithium Sulphate monohydrate (Li2SO4.H2O) single crystals were grown successfully by slow evaporation method at room temperature. The principal values of g and A tensors indicate existence of orthorhombic symmetry around the Cu2+ ion. From the direction cosines of g and A tensors, the locations of Cu2+ in the lattice have been identified as interstitial site. Optical absorption confirms the rhombic symmetry and ground state wave function of the Cu2+ ion in a lattice as dx2-y2.

  15. Total Absorption Spectroscopy Study of 92Rb Decay: A Major Contributor to Reactor Antineutrino Spectrum Shape

    NASA Astrophysics Data System (ADS)

    Zakari-Issoufou, A.-A.; Fallot, M.; Porta, A.; Algora, A.; Tain, J. L.; Valencia, E.; Rice, S.; Bui, V. M.; Cormon, S.; Estienne, M.; Agramunt, J.; ńystö, J.; Bowry, M.; Briz, J. A.; Caballero-Folch, R.; Cano-Ott, D.; Cucoanes, A.; Elomaa, V.-V.; Eronen, T.; Estévez, E.; Farrelly, G. F.; Garcia, A. R.; Gelletly, W.; Gomez-Hornillos, M. B.; Gorlychev, V.; Hakala, J.; Jokinen, A.; Jordan, M. D.; Kankainen, A.; Karvonen, P.; Kolhinen, V. S.; Kondev, F. G.; Martinez, T.; Mendoza, E.; Molina, F.; Moore, I.; Perez-Cerdán, A. B.; Podolyák, Zs.; Penttilä, H.; Regan, P. H.; Reponen, M.; Rissanen, J.; Rubio, B.; Shiba, T.; Sonzogni, A. A.; Weber, C.

    2015-09-01

    The antineutrino spectra measured in recent experiments at reactors are inconsistent with calculations based on the conversion of integral beta spectra recorded at the ILL reactor. 92Rb makes the dominant contribution to the reactor antineutrino spectrum in the 5-8 MeV range but its decay properties are in question. We have studied 92Rb decay with total absorption spectroscopy. Previously unobserved beta feeding was seen in the 4.5-5.5 region and the GS to GS feeding was found to be 87.5(25)%. The impact on the reactor antineutrino spectra calculated with the summation method is shown and discussed.

  16. Extended X-ray absorption fine structure (EXAFS) study of CaSO 4:Dy phosphors

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, D.; Bakshi, A. K.; Ciatto, G.; Aquilanti, G.; Pradhan, A. S.; Pascarelli, S.

    2006-03-01

    Extended X-ray absorption fine structure (EXAFS) measurements have been carried out on CaSO 4:Dy phosphors at the Dy L 3 edge with synchrotron radiation. The data have been analysed to find out the Dy-S and Dy-O bond lengths in the neighborhood of the Dy atoms. Measurements have been carried out over several samples thermally annealed for different cycles at 400 °C in air for 1 h and the change in bond lengths in samples with increasing number of annealing cycles have been studied by analyzing the EXAFS data.

  17. Cu K-edge X-ray Absorption Spectroscopy Reveals Differential Copper Coordimation Within Amyloid-beta Oligomers Compared to Amyloid-beta Monomers

    SciTech Connect

    J Shearer; P Callan; T Tran; V Szalai

    2011-12-31

    The fatal neurodegenerative disorder Alzheimer's disease (AD) has been linked to the formation of soluble neurotoxic oligomers of amyloid-{beta} (A{beta}) peptides. These peptides have high affinities for copper cations. Despite their potential importance in AD neurodegeneration few studies have focused on probing the Cu{sup 2+/1+} coordination environment within A{beta} oligomers. Herein we present a Cu K-edge X-ray absorption spectroscopic study probing the copper-coordination environment within oligomers of A{beta}(42) (sequence: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA). We find that the Cu{sup 2+} cation is contained within a square planar mixed N/O ligand environment within A{beta}(42) oligomers, which is similar to the copper coordination environment of the monomeric forms of {l_brace}Cu{sup II}A{beta}(40){r_brace} and {l_brace}Cu{sup II}A{beta}(16){r_brace}. Reduction of the Cu{sup 2+} cation within the A{beta}(42) oligomers to Cu{sup 1+} yields a highly dioxygen sensitive copper-species that contains Cu{sup 1+} in a tetrahedral coordination geometry. This can be contrasted with monomers of {l_brace}Cu{sup I}A{beta}(40){r_brace} and {l_brace}Cu{sup I}A{beta}(16){r_brace}, which contain copper in a dioxygen inert linear bis-histidine ligand environment [Shearer and Szalai, J. Am. Chem. Soc., 2008, 130, 17826]. The biological implications of these findings are discussed.

  18. High-energy resolution X-ray absorption and emission spectroscopy reveals insight into unique selectivity of La-based nanoparticles for CO2

    PubMed Central

    Hirsch, Ofer; Kvashnina, Kristina O.; Luo, Li; Süess, Martin J.; Glatzel, Pieter; Koziej, Dorota

    2015-01-01

    The lanthanum-based materials, due to their layered structure and f-electron configuration, are relevant for electrochemical application. Particularly, La2O2CO3 shows a prominent chemoresistive response to CO2. However, surprisingly less is known about its atomic and electronic structure and electrochemically significant sites and therefore, its structure–functions relationships have yet to be established. Here we determine the position of the different constituents within the unit cell of monoclinic La2O2CO3 and use this information to interpret in situ high-energy resolution fluorescence-detected (HERFD) X-ray absorption near-edge structure (XANES) and valence-to-core X-ray emission spectroscopy (vtc XES). Compared with La(OH)3 or previously known hexagonal La2O2CO3 structures, La in the monoclinic unit cell has a much lower number of neighboring oxygen atoms, which is manifested in the whiteline broadening in XANES spectra. Such a superior sensitivity to subtle changes is given by HERFD method, which is essential for in situ studying of the interaction with CO2. Here, we study La2O2CO3-based sensors in real operando conditions at 250 °C in the presence of oxygen and water vapors. We identify that the distribution of unoccupied La d-states and occupied O p- and La d-states changes during CO2 chemoresistive sensing of La2O2CO3. The correlation between these spectroscopic findings with electrical resistance measurements leads to a more comprehensive understanding of the selective adsorption at La site and may enable the design of new materials for CO2 electrochemical applications. PMID:26668362

  19. A study on radon absorption efficiencies of edible oils produced in India.

    PubMed

    Karunakara, N; Al-Azmi, Darwish

    2010-04-01

    A study on absorption of radon by different edible oils of plant origins produced and used in India was conducted in order to identify efficient radon-absorbing oils. A comparative study of radon absorption by edible oils of India with that of olive oil, which is known as a good absorber of radon, was also carried out. The study was performed by bubbling known concentrations of radon through the oil contained in a bottle and then evaluating the bubbled oil by gamma-ray spectrometry using an HPGe detector. The results show that oils such as coconut oil, gingelly oil (till oil), ground nut oil, mustard oil, sunflower oil, and saffola kardi oil are also good absorbers for radon, and among them coconut oil and gingelly oils are better absorbers than olive oil. The Henry's equilibrium constant (or the concentration factor), an indicator for the solubility of gas in liquids, was also measured for different types of oil by saturating a known volume of the oil with radon. The Henry's equilibrium constant varied in the range 7.32-8.22 for the Indian vegetable oils, and for olive oil it was found to be 7.88. The details of the experimental technique employed and results obtained are presented and discussed in this paper.

  20. Single-molecule spectroscopy and femtosecond transient absorption studies on the excitation energy transfer process in ApcE(1-240) dimers.

    PubMed

    Long, Saran; Zhou, Meng; Tang, Kun; Zeng, Xiao-Li; Niu, Yingli; Guo, Qianjin; Zhao, Kai-Hong; Xia, Andong

    2015-05-28

    ApcE(1-240) dimers with one intrinsic phycocyanobilin (PCB) chromophore in each monomer that is truncated from the core-membrane linker (ApcE) of phycobilisomes (PBS) in Nostoc sp. PCC 7120 show a sharp and significantly red-shifted absorption. Two explanations either conformation-dependent Förster resonance energy transfer (FRET) or the strong exciton coupling limit have been proposed for red-shifted absorption. This is a classic example of the special pair in the photosynthetic light harvesting proteins, but the mechanism of this interaction is still a matter of intense debate. We report the studies using single-molecule and transient absorption spectra on the interaction in the special pair of ApcE dimers. Our results demonstrate the presence of conformation-dependent FRET between the two PCB chromophores in ApcE dimers. The broad distributions of fluorescence intensities, lifetimes and polarization difference from single-molecule measurements reveal the heterogeneity of local protein-pigment environments in ApcE dimers, where the same molecular structures but different protein environments are the main reason for the two PCB chromophores with different spectral properties. The excitation energy transfer rate between the donor and the acceptor about (110 ps)(-1) is determined from transient absorption measurements. The red-shifted absorption in ApcE dimers could result from more extending conformation, which shows another type of absorption redshift that does not depend on strong exciton coupling. The results here stress the importance of conformation-controlled spectral properties of the chemically identical chromophores, which could be a general feature to control energy/electron transfer, widely existing in the light harvesting complexes. PMID:25925197

  1. Fluorescence and UV/VIS absorption spectroscopy studies on polymer blend films for photovoltaics

    NASA Astrophysics Data System (ADS)

    van Stam, Jan; Lindqvist, Camilla; Hansson, Rickard; Ericsson, Leif; Moons, Ellen

    2015-08-01

    The quinoxaline-based polymer TQ1 (poly[2,3-bis-(3-octyloxyphenyl)quinoxaline-5,8-diyl-alt-thiophene-2,5- diyl]) is a promising candidate as electron donor in organic solar cells. In combination with the electron acceptor [6,6]- phenyl-C71- butyric acid methyl ester (PC70BM), TQ1 has resulted in solar cells with power conversion efficiencies of 7 %. We have studied TQ1 films, with and without PC70BM, spin-casted from different solvents, by fluorescence spectroscopy and UV/VIS absorption spectroscopy. We used chloroform (CF), chlorobenzene (CB), and odichlorobenzene (o-DCB) as solvents for the coating solutions and 1-chloronaphthalene (CN) as solvent additive. CN addition has been shown to enhance photo-conversion efficiency of these solar cells. Phase-separation causes lateral domain formation in the films and the domain size depends on the solvent . These morphological differences coincide with changes in the spectroscopic patterns of the films. From a spectroscopic point of view, TQ1 acts as fluorescent probe and PC70BM as quencher. The degree of fluorescence quenching is coupled to the morphology through the distance between TQ1 and PC70BM. Furthermore, if using a bad solvent for PC70BM, morphological regions rich in the fullerene yield emission characteristic for aggregated PC70BM. Clear differences were found, comparing the TQ1:PC70BM blend films casted from different solvents and at different ratios between the donor and acceptor. The morphology also influences the UV/VIS absorption spectra, yielding further information on the composition. The results show that fluorescence and UV/VIS absorption spectroscopy can be used to detect aggregation in blended films and that these methods extend the morphological information beyond the scale accessible with microscopy.

  2. In vitro study of transporters involved in intestinal absorption of inorganic arsenic.

    PubMed

    Calatayud, Marta; Barrios, Julio A; Vélez, Dinoraz; Devesa, Vicenta

    2012-02-20

    Inorganic arsenic (iAs) [As(III)+As(V)] is a drinking water contaminant, and human exposure to these arsenic species has been linked with a wide range of health effects. The main path of exposure is the oral route, and the intestinal epithelium is the first physiological barrier that iAs must cross in order to be absorbed. However, there is a lack of information about intestinal iAs absorption. The aim of this study was to evaluate the participation of certain transporters [glucose transporters (GLUT and SGLT), organic anion transporting polypeptides (OATPs), aquaporins (AQPs), and phosphate transporters (NaPi and PiT)] in intestinal absorption of As(V) and As(III), using the Caco-2 cell line as a model of the intestinal epithelium. For this purpose, the effects of chemical inhibition and gene silencing of the transporters of interest on iAs uptake were evaluated, and also the differential expression of these transporters after treatment with iAs. The results show that chemical inhibition using rifamycin SV (OATP inhibitor), phloridzin (SGLT inhibitor), phloretin (GLUT and AQP inhibitor), and copper sulfate (AQP inhibitor) leads to a significant reduction in the apparent permeability and cellular retention of As(III). RT-qPCR indicates up-regulation of GLUT2, GLUT5, OATPB, AQP3, and AQP10 after exposure to As(III), while exposure to As(V) increases the expression of sodium-dependent phosphate transporters, especially NaPiIIb. Gene silencing of OATPB, AQP10, and GLUT5 for As(III) and NaPiIIb for As(V) significantly reduces uptake of the inorganic forms. These results indicate that these transporters may be involved in intestinal absorption of iAs.

  3. In Situ X-Ray Absorption Spectroscopy Study of the LiNiO2 Electrode

    NASA Astrophysics Data System (ADS)

    Mansour, A. N.; McBreen, J.; Melendres, C. A.

    1997-03-01

    LiNiO2 is one of the most promising active material for the development of novel 4V rechargeable lithium batteries. Recent x-ray diffraction studies showed that the electrochemical reactivity of this electrode is sensitive to the structure of the starting material as well as the charged products. To further examine this material, we have conducted an x-ray absorption spectroscopy (XAS) study to determine the structure of this electrode as a function of its charge state. Specifically, the x-ray absorption Ni K-edge energy, the pre-edge structure, and local structure parameters such as bond lengths, coordination numbers and disorders were investigated at various states of charge corresponding to Li_(1-x)NiO2 for x values of 0.0, 0.11, 0.23, 0.34, 0.45, 0.82, and 0.99. The charging which proceeds via lithium de-intercalation was conducted using constant current anodization at 0.5 mA in a non aqueous electrolyte consisting of 1M LiPF6 in 1:1:3 propylene ! carbonate, ethylene carbonate and dimethyl carbonate. The XAS results for this electrode will be compared with those of γ-NiOOH and KNiIO_6, the latter being used as a reference for quadrivalent nickel.

  4. X-ray absorption Studies of Zinc species in Centella asiatica

    NASA Astrophysics Data System (ADS)

    Dehipawala, Sunil; Cheung, Tak; Hogan, Clayton; Agoudavi, Yao; Dehipawala, Sumudu

    2013-03-01

    Zinc is a very important mineral present in a variety of vegetables. It is an essential element in cellular metabolism and several bodily functions. We used X-ray fluorescence, and X-ray Absorption near Edge structure(XANES) to study the amount of zinc present in several leafy vegetables as well as its chemical environment within the plant. Main absorption edge position of XANES is sensitive to the oxidation state of zinc and is useful when comparing the type of zinc present in different vegetables to the standard zinc present in supplements. Normalized main edge height is proportional to the amount of zinc present in the sample. Several leafy greens were used in this study, such as Spinacia oleracea, Basella alba, Brassica oleracea, Cardiospermum halicacabumand Centella asiatica. All of these plant leaves contained approximately the same amount of zinc in the leaf portion of the plant and a slightly lower amount in the stems, except Centella asiatica. Both leaves and stems of the plant Centella asiatica contained nearly two times the zinc compared to other plants. Further investigation of zinc's chemical environment within Centella asiatica could lead to a much more efficient dietary consumption of zinc. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886

  5. Results of Self-Absorption Study on the Versapor 3000 Filters for Radioactive Particulate Air Sampling

    SciTech Connect

    Barnett, J. Matthew; Cullinan, Valerie I.; Barnett, Debra S.; Trang-Le, Truc LT; Bliss, Mary; Greenwood, Lawrence R.; Ballinger, Marcel Y.

    2009-02-17

    effects. The microscopy analysis compares different filter loadings and shows that smaller particle sizes (under 10 micron) can readily be seen on the more lightly loaded filters. At higher loadings, however, the particle size is harder to differentiate. This study provides data on actual stack emission samples showing a range of mass loading conditions and visual evidence of particle size and distribution and also presents the difficulties in quantifying self-absorption effects using actual samples.

  6. An electron microscopic study of the intestinal villus. II. The pathway of fat absorption.

    PubMed

    PALAY, S L; KARLIN, L J

    1959-05-25

    The intestinal pathway for absorbed fat was traced in thin sections of intestinal villi from rats fed corn oil by stomach tube after a fast of 24 to 40 hours. For electron microscopy the tissues were fixed in chilled buffered osmium tetroxide and embedded in methacrylate. For light microscopy, other specimens from the same animals were fixed in formal-calcium, mordanted in K(2)Cr(2)O(7), and embedded in gelatin. Frozen sections were stained with Sudan black B or Sudan IV. About 20 minutes after feeding, small fat droplets (65 mmicro maximal diameter) appear in the striated border between microvilli. At the same time fat particles are seen within pinocytotic vesicles in the immediately subjacent terminal web. In later specimens the fat droplets are generally larger (50 to 240 mmicro) and lie deeper in the apical cytoplasm. All intracellular fat droplets are loosely enveloped in a thin membrane, the outer surface of which is sometimes studded with the fine particulate component of the cytoplasm. This envelope, apparently derived from the cell surface by pinocytosis, has at this stage evidently become a part of the endoplasmic reticulum. Just above the nucleus numerous fat droplets lie clustered within the dilated cisternae of the Golgi complex. As absorption progresses fat droplets appear in the intercellular spaces of the epithelium, in the interstitial connective tissue spaces of the lamina propria, and in the lumen of the lacteals. All of these extracellular fat droplets are devoid of a membranous envelope. The picture of fat absorption as reconstructed from these studies involves a stream of fat droplets filtering through the striated border, entering the epithelial cell by pinocytosis at the bases of the intermicrovillous spaces, and coursing through the endoplasmic reticulum to be discharged at the sides of the epithelial cell into extracellular spaces. From the epithelial spaces, the droplets move into the lamina propria and thence into the lymph. If the lumen

  7. Molecular dynamics simulation and TDDFT study of the structures and UV-vis absorption spectra of MCT-β-CD and its inclusion complexes.

    PubMed

    Lu, Huijuan; Wang, Yujiao; Xie, Xiaomei; Chen, Feifei; Li, Wei

    2015-01-01

    In this research, the inclusion ratios and inclusion constants of MCT-β-CD/PERM and MCT-β-CD/CYPERM inclusion complexes were measured by UV-vis and fluorescence spectroscopy. The inclusion ratios are both 1:1, and the inclusion constants are 60 and 342.5 for MCT-β-CD/PERM and MCT-β-CD/CYPERM, respectively. The stabilities of inclusion complexes were investigated by MD simulation. MD shows that VDW energy plays a vital role in the stability of inclusion complex, and the destruction of inclusion complex is due to the increasing temperature. The UV-vis absorption spectra of MCT-β-CD and its inclusion complexes were studied by time-dependent density functional theory (TDDFT) method employing BLYP-D3, B3LYP-D3 and M06-2X-D3 functionals. BLYP-D3 well reproduces the UV-vis absorption spectrum and reveals that the absorption bands of MCT-β-CD mainly arise from n→π(∗) and n→σ(∗) transition, and those of inclusion complexes mainly arise from intramolecular charge transfer (ICT). ICT results in the shift of main absorption bands of MCT-β-CD.

  8. Time-resolved infrared absorption studies of the dynamics of radical reactions.

    SciTech Connect

    Macdonald, R. G.

    2008-01-01

    There is very little information available about the dynamics of radical+radical interactions. These processes are important in combustion being chain termination steps as well as generating new molecular species. To study these processes, a new experimental apparatus has been constructed to investigate radical-radical dynamics. The first radical or atomic species is produced with a known concentration in a microwave discharge flow system. The second is produced by pulsed laser photolysis of a suitable photolyte. The time dependence of individual rovibrational states of the product is followed by absorption of a continuous infrared laser. This approach will allow the reaction of interest to be differentiated from other radical reactions occurring simultaneously. The experimental approach is highly versatile, being able to detect a number of molecular species of particular interest to combustion processes such as water, methane, acetylene etc. at the state specific level. State specific infrared absorption coefficients of radicals can be measured in situ allowing for the determination of the absolute concentrations and hence branching ratios for reactions having multiple reaction pathways.

  9. Particle extinction measured at ambient conditions with differential optical absorption spectroscopy. 2. Closure study.

    PubMed

    Müller, Thomas; Müller, Detlef; Dubois, René

    2006-04-01

    Spectral particle extinction coefficients of atmospheric aerosols were measured with, to the best of our knowledge, a newly designed differential optical absorption spectroscopy (DOAS) instrument. A closure study was carried out on the basis of optical and microphysical aerosol properties obtained from nephelometer, particle soot/absorption photometer, hygroscopic tandem differential mobility analyzer, twin differential mobility particle sizer, aerodynamic particle sizer, and Berner impactors. The data were collected at the urban site of Leipzig during a period of 10 days in March 2000. The performance test also includes a comparison of the optical properties measured with DOAS to particle optical properties calculated with a Mie-scattering code. The computations take into account dry and ambient particle conditions. Under dry particle conditions the linear regression and the correlation coefficient for particle extinction are 0.95 and 0.90, respectively. At ambient conditions these parameters are 0.89 and 0.97, respectively. An inversion algorithm was used to retrieve microphysical particle properties from the extinction coefficients measured with DOAS. We found excellent agreement within the retrieval uncertainties.

  10. [Study on Differential Optical Absorption Spectroscopy Data Processing Based on Chirp-Z Transformation].

    PubMed

    Zheng, Hai-ming; Li, Guang-jie; Wu, Hao

    2015-06-01

    Differential optical absorption spectroscopy (DOAS) is a commonly used atmospheric pollution monitoring method. Denoising of monitoring spectral data will improve the inversion accuracy. Fourier transform filtering method is effectively capable of filtering out the noise in the spectral data. But the algorithm itself can introduce errors. In this paper, a chirp-z transform method is put forward. By means of the local thinning of Fourier transform spectrum, it can retain the denoising effect of Fourier transform and compensate the error of the algorithm, which will further improve the inversion accuracy. The paper study on the concentration retrieving of SO2 and NO2. The results show that simple division causes bigger error and is not very stable. Chirp-z transform is proved to be more accurate than Fourier transform. Results of the frequency spectrum analysis show that Fourier transform cannot solve the distortion and weakening problems of characteristic absorption spectrum. Chirp-z transform shows ability in fine refactoring of specific frequency spectrum.

  11. X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites

    PubMed Central

    2015-01-01

    The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties as the graphene oxide transformation to reduced-graphene oxide is a key step in the synthesis of the electrode materials. Polarized behavior of the synchrotron X-rays and the angular dependency of the near-edge X-ray absorption fine structures (NEXAFS) have been utilized to study the orientation of the σ and π bonds of the graphene oxide and graphene oxide–metal oxide nanocomposites. The core-level transitions of individual metal oxides and that of the graphene oxide nanocomposite showed that the interaction of graphene oxide with the metal oxide nanostructures has not altered the electronic structure of either of them. As the restoration of the π network is important for good electrical conductivity, the C K edge NEXAFS spectra of reduced graphene oxide nanocomposites confirms the same through increased intensity of the sp2-derived unoccupied states π* band. A pronounced angular dependency of the reduced sample and the formation of excitonic peaks confirmed the formation of extended conjugated network. PMID:25152800

  12. Time-resolved X-ray Absorption Spectroscopy for Electron Transport Study in Warm Dense Gold

    NASA Astrophysics Data System (ADS)

    Lee, Jong-Won; Bae, Leejin; Engelhorn, Kyle; Heimann, Philip; Ping, Yuan; Barbrel, Ben; Fernandez, Amalia; Beckwith, Martha Anne; Cho, Byoung-Ick; GIST Team; IBS Team; LBNL Collaboration; SLAC Collaboration; LLNL Collaboration

    2015-11-01

    The warm dense Matter represents states of which the temperature is comparable to Fermi energy and ions are strongly coupled. One of the experimental techniques to create such state in the laboratory condition is the isochoric heating of thin metal foil with femtosecond laser pulses. This concept largely relies on the ballistic transport of electrons near the Fermi-level, which were mainly studied for the metals in ambient conditions. However, they were barely investigated in warm dense conditions. We present a time-resolved x-ray absorption spectroscopy measured for the Au/Cu dual layered sample. The front Au layer was isochorically heated with a femtosecond laser pulse, and the x-ray absorption changes around L-edge of Cu, which was attached on the backside of Au, was measured with a picosecond resolution. Time delays between the heating of the `front surface' of Au layer and the alternation of x-ray spectrum of Cu attached on the `rear surface' of Au indicate the energetic electron transport mechanism through Au in the warm dense conditions. IBS (IBS-R012-D1) and the NRF (No. 2013R1A1A1007084) of Korea.

  13. A real-time in-vivo method for studying the percutaneous absorption of volatile chemicals.

    PubMed

    Thrall, K D; Poet, T S; Corley, R A; Tanojo, H; Edwards, J A; Weitz, K K; Hui, X; Maibach, H I; Wester, R C

    2000-01-01

    Realistic estimates of percutaneous absorption following exposures to solvents in the workplace, or through contaminated soil and water, are critical to understanding human health risks. A method was developed to determine dermal uptake of solvents under non-steady-state conditions using real-time breath analysis in rats, monkeys, and humans. The exhaled breath was analyzed using an ion-trap mass spectrometer, which can quantitate chemicals in the exhaled breath stream in the 1-5 ppb range. The resulting data were evaluated using physiologically-based pharmacokinetic (PBPK) models to estimate dermal permeability constants (Kp) under various exposure conditions. The effects of exposure matrix (soil versus water), occlusion versus non-occlusion, and species differences on the absorption of methyl chloroform, trichloroethylene, and benzene were compared. Exposure concentrations were analyzed before and at 0.5-hour intervals throughout the exposures. The percentage of each chemical absorbed and the corresponding Kp were estimated by optimization of the PBPK model to the medium concentration and the exhaled-breath data. The method was found to be sufficiently sensitive for animal and human dermal studies at low exposure concentrations over small body surface areas, for short periods, using non-steady-state exposure conditions.

  14. [Study on the absorption of environmental contaminants in low-level exposure by pharmacokinetic analysis].

    PubMed

    Hao, S; Yin, S; Li, G; Cui, J

    2000-03-30

    A dynamic generating toxic gas system and a nose-only exposure system were used for the pharmacokinetic study of inhaled environmental contaminants for benzene, toluene, xylene, ethylbenzene, chlorobenzene, styrene, isopropyl benzene, tetrachloroethylene, nonane and methylcyclohexane in male guinea pig. The change of these substances in blood with time was determined simultaneously by solid phase micro-extraction(SPME) gas chromatography (GC). The results showed that the fraction of absorption of benzene at low (121 micrograms/m3) exposure was 4.8 times higher than that at high(12.1 mg/m3) exposure. The pharmacokinetics of these substances were evaluated by using linear compartment models. The data showed that more styrene was absorbed than tetrachloroethylene at low-exposure. The metabolic elimination of these compounds at various exposure concentrations was extrapolated by using estimated pharmacokinetic parameters. Moreover, not only should the differences in absorption quantities be considered in evaluation of potential risk assessment, the metabolic elimination rates should also be considered although the exposure concentrations in gas for all chemicals were equal. The data presented in this paper was fundamental data used for risk assessment.

  15. [Study on Differential Optical Absorption Spectroscopy Data Processing Based on Chirp-Z Transformation].

    PubMed

    Zheng, Hai-ming; Li, Guang-jie; Wu, Hao

    2015-06-01

    Differential optical absorption spectroscopy (DOAS) is a commonly used atmospheric pollution monitoring method. Denoising of monitoring spectral data will improve the inversion accuracy. Fourier transform filtering method is effectively capable of filtering out the noise in the spectral data. But the algorithm itself can introduce errors. In this paper, a chirp-z transform method is put forward. By means of the local thinning of Fourier transform spectrum, it can retain the denoising effect of Fourier transform and compensate the error of the algorithm, which will further improve the inversion accuracy. The paper study on the concentration retrieving of SO2 and NO2. The results show that simple division causes bigger error and is not very stable. Chirp-z transform is proved to be more accurate than Fourier transform. Results of the frequency spectrum analysis show that Fourier transform cannot solve the distortion and weakening problems of characteristic absorption spectrum. Chirp-z transform shows ability in fine refactoring of specific frequency spectrum. PMID:26601381

  16. Experimental studies on WDM to TDM signal conversions using gigahertz electro-absorption modulators

    NASA Astrophysics Data System (ADS)

    Yang, Tianxin; Gao, Peirui; Ge, Chunfeng; Wang, Zhaoying

    2016-02-01

    A method of optical signal conversions at high data rates from wavelength division multiplexing (WDM) signals to time division multiplexing (TDM) signals is demonstrated and studied experimentally using the cross-absorption effect of electro-absorption modulator (EAM). A multi-wavelength light source is designed and built up as a set of WDM carriers which are gated as the WDM pulse signals to be converted. The spectrum of the WDM signals covers more than 40 nm so that is proved that the wavelengths in the whole C+L band can be converted to a single wavelength at which the TDM signal is formed at the output of the system. The pulse width of the WDM signals which is input into the EAM device is about 2.586 ns. And the signal to noise ratio after conversion is about 7dB. It shows that EAM has strong noise immunity in the all-optical wavelength conversion experiment. And it is observed that the conversion of signals at the short wavelength shows higher conversion efficiency than the long-wavelength signals in the EAM device to a probe wavelength at the center of C band.

  17. Enhanced oral absorption of insulin-loaded liposomes containing bile salts: a mechanistic study.

    PubMed

    Niu, Mengmeng; Tan, Ya'nan; Guan, Peipei; Hovgaard, Lars; Lu, Yi; Qi, Jianping; Lian, Ruyue; Li, Xiaoyang; Wu, Wei

    2014-01-01

    Liposomes containing bile salts (BS-liposomes) significantly enhanced the oral bioavailability of insulin (rhINS). However, the underlying absorption mechanisms have not been well understood yet. In this study, the transiting fate of the liposomes was first investigated using fluorescent imaging tools to confirm the effect of enhanced gastrointestinal stability. In order to obtain evidence of enhanced transcellular permeation, the interaction between BS-liposomes and the biomembrane was investigated in Caco-2 cell lines. BS-liposomes were found to be more stable in the gastrointestinal tract by showing prolonged residence time in comparison with conventional liposomes. BS-liposomes were significantly more effective for cellular uptake and transport of rhINS; and this effect was found to be size- and concentration-dependent. A good linear correlation was observed between the concentration of the liposomes and uptake/transport of rhINS. Confocal laser scanning microscopy visualization further validated the transcellular transit of BS-liposomes. The BS-liposomes showed little effect on cytotoxicity and did not induce apoptosis within 24h investigation. It was concluded that BS-liposomes showed improved in vivo residence time and enhanced permeation across the biomemebranes. Mechanisms of trans-enterocytic internalization could be proposed as an interpretation for enhanced absorption of insulin-loaded liposomes.

  18. Particle extinction measured at ambient conditions with differential optical absorption spectroscopy. 2. Closure study.

    PubMed

    Müller, Thomas; Müller, Detlef; Dubois, René

    2006-04-01

    Spectral particle extinction coefficients of atmospheric aerosols were measured with, to the best of our knowledge, a newly designed differential optical absorption spectroscopy (DOAS) instrument. A closure study was carried out on the basis of optical and microphysical aerosol properties obtained from nephelometer, particle soot/absorption photometer, hygroscopic tandem differential mobility analyzer, twin differential mobility particle sizer, aerodynamic particle sizer, and Berner impactors. The data were collected at the urban site of Leipzig during a period of 10 days in March 2000. The performance test also includes a comparison of the optical properties measured with DOAS to particle optical properties calculated with a Mie-scattering code. The computations take into account dry and ambient particle conditions. Under dry particle conditions the linear regression and the correlation coefficient for particle extinction are 0.95 and 0.90, respectively. At ambient conditions these parameters are 0.89 and 0.97, respectively. An inversion algorithm was used to retrieve microphysical particle properties from the extinction coefficients measured with DOAS. We found excellent agreement within the retrieval uncertainties. PMID:16607998

  19. X-Ray Absorption Studies of Borosilicate Glasses Containing Dissolved Actinides Or Surrogates

    SciTech Connect

    Lopez, C.; Deschanels, X.; Den Auwer, C.; Cachia, J.-N.; Peuget, S.; Bart, J.-M.

    2006-10-27

    The solubility of actinides and actinide surrogates in a nuclear borosilicate glass was studied with cerium, hafnium, neodymium, thorium and plutonium. Cerium is a possible surrogate for tetravalent and trivalent actinides such as plutonium, hafnium for tetravalent actinide such as thorium, and neodymium for trivalent actinides such as curium or americium. X-ray absorption spectroscopy was used to obtain data on the local environment of the dissolved elements in the glass network. For glasses melted at 1200 C, the solubility limits of the elements studied were as follows Nd > Ce > Th > Pu > Hf. A correlation has been established between the cation bonding covalence, the oxygen polyhedron and the solubility limit of the elements: the greater the solubility, the larger the oxygen bonds.

  20. Excited state dynamics of single metal and semiconductor nanowires studied by transient absorption microscopy

    NASA Astrophysics Data System (ADS)

    Lo, Shun S.; Shi, Hong Y.; Major, Todd A.; Petchsang, Nattasamon; Huang, Libai; Kuno, Masaru K.; Hartland, Gregory V.

    2013-03-01

    Transient absorption microscopy (TAM) is a relatively new technique that allows the study of single nanostructures with sub-picosecond time resolution. Here, we present results for CdTe and Au Nanowires (NW). For the first material, we find an interesting power dependence of the excited dynamics, suggesting that a trap-filling mechanism is responsible for the observed behaviour. Additionally, acoustic phonons were observed, which were well described using continuum elastic models.[2] Carrier diffusion along these NWs are also reported. In the case of Au NWs, the propagation of surface plasmon polaritons was investigated. The results are in agreement with previous studies performed with fluorescence based techniques.[3,4] Unlike fluorescence techniques, multiple measurements on the same nanostructures are possible with TAM allowing one-to-one comparisons under different excitation polarizations and environments. NSF Award CHE-1110560 and CHE-0946447, Univ. of Notre Dame Strategic Research Initiative. L. Huang, DOE (DE-FC02-04ER15533)

  1. The irradiation of ammonia ice studied by near edge x-ray absorption spectroscopy

    SciTech Connect

    Parent, Ph.; Bournel, F.; Lasne, J.; Laffon, C.; Carniato, S.; Lacombe, S.; Strazzulla, G.; Gardonio, S.; Lizzit, S.; Kappler, J.-P.; Joly, L.

    2009-10-21

    A vapor-deposited NH{sub 3} ice film irradiated at 20 K with 150 eV photons has been studied with near-edge x-ray absorption fine structure (NEXAFS) spectroscopy at the nitrogen K-edge. Irradiation leads to the formation of high amounts (12%) of molecular nitrogen N{sub 2}, whose concentration as a function of the absorbed energy has been quantified to 0.13 molecule/eV. The stability of N{sub 2} in solid NH{sub 3} has been also studied, showing that N{sub 2} continuously desorbs between 20 and 95 K from the irradiated ammonia ice film. Weak concentrations (<1%) of other photoproducts are also detected. Our NEXAFS simulations show that these features own to NH{sub 2}, N{sub 2}H{sub 2}, and N{sub 3}{sup -}.

  2. Dynamical Study of Femtosecond-Laser-Ablated Liquid-Aluminum Nanoparticles Using Spatiotemporally Resolved X-Ray-Absorption Fine-Structure Spectroscopy

    SciTech Connect

    Oguri, Katsuya; Okano, Yasuaki; Nishikawa, Tadashi; Nakano, Hidetoshi

    2007-10-19

    We study the temperature evolution of aluminum nanoparticles generated by femtosecond laser ablation with spatiotemporally resolved x-ray-absorption fine-structure spectroscopy. We successfully identify the nanoparticles based on the L-edge absorption fine structure of the ablation plume in combination with the dependence of the edge structure on the irradiation intensity and the expansion velocity of the plume. In particular, we show that the lattice temperature of the nanoparticles is estimated from the L-edge slope, and that its spatial dependence reflects the cooling of the nanoparticles during plume expansion. The results reveal that the emitted nanoparticles travel in a vacuum as a condensed liquid phase with a lattice temperature of about 2500 to 4200 K in the early stage of plume expansion.

  3. Speciation of Adsorbed Phosphate at Gold Electrodes: A Combined Surface-Enhanced Infrared Absorption Spectroscopy and DFT Study.

    PubMed

    Yaguchi, Momo; Uchida, Taro; Motobayashi, Kenta; Osawa, Masatoshi

    2016-08-18

    Despite the significance of phosphate buffer solutions in (bio)electrochemistry, detailed adsorption properties of phosphate anions at metal surfaces remain poorly understood. Herein, phosphate adsorption at quasi-Au(111) surfaces prepared by a chemical deposition technique has been systematically investigated over a wide range of pH by surface-enhanced infrared absorption spectroscopy in the ATR configuration (ATR-SEIRAS). Two different pH-dependent states of adsorbed phosphate are spectroscopically detected. Together with DFT calculations, the present study reveals that pKa for adsorbed phosphate species at the interface is much lower than that for phosphate species in the bulk solution; the dominant phosphate anion, H2PO4(-) at 2 < pH < 7 or HPO4(2-) at 7 < pH < 12, undergoes deprotonation upon adsorption and transforms into the adsorbed HPO4 or PO4, respectively. This study leads to a conclusion different than earlier spectroscopic studies have reached, highlighting the capability of the ATR-SEIRAS technique at electrified metal-solution interfaces. PMID:27453430

  4. Gamma camera imaging for studying intestinal absorption and whole-body distribution of selenomethionine.

    PubMed

    Madsen, Jan L; Sjögreen-Gleisner, Katarina; Elema, Dennis R; Søndergaard, Lasse R; Rasmussen, Palle; Fuglsang, Stefan; Ljungberg, Michael; Damgaard, Morten

    2014-02-01

    Se metabolism in humans is not well characterised. Currently, the estimates of Se absorption, whole-body retention and excretion are being obtained from balance and tracer studies. In the present study, we used gamma camera imaging to evaluate the whole-body retention and distribution of radiolabelled selenomethionine (SeMet), the predominant form of Se present in foods. A total of eight healthy young men participated in the study. After consumption of a meal containing 4 MBq [⁷⁵Se]L-SeMet ([⁷⁵Se]SeMet), whole-body gamma camera scanning was performed for 45 min every hour over a 6 h period, every second hour for the next 18 h and once on each of the subsequent 6 d. Blood, urine and faecal samples were collected to determine the plasma content of [⁷⁵Se]SeMet as well as its excretion in urine and faeces. Imaging showed that 87·9 (sd 3·3)% of the administered activity of [⁷⁵Se]SeMet was retained within the body after 7 d. In contrast, the measured excretion in urine and faeces for the 7 d period was 8·2 (sd 1·1)% of the activity. Time-activity curves were generated for the whole body, stomach, liver, abdomen (other than the stomach and the liver), brain and femoral muscles. Gamma camera imaging allows for the assessment of the postprandial absorption of SeMet. This technique may also permit concurrent studies of organ turnover of SeMet.

  5. Multitargeting by curcumin as revealed by molecular interaction studies

    PubMed Central

    Gupta, Subash C.; Prasad, Sahdeo; Kim, Ji Hye; Patchva, Sridevi; Webb, Lauren J.; Priyadarsini, Indira K.

    2012-01-01

    Curcumin (diferuloylmethane), the active ingredient in turmeric (Curcuma longa), is a highly pleiotropic molecule with anti-inflammatory, anti-oxidant, chemopreventive, chemosensitization, and radiosensitization activities. The pleiotropic activities attributed to curcumin come from its complex molecular structure and chemistry, as well as its ability to influence multiple signaling molecules. Curcumin has been shown to bind by multiple forces directly to numerous signaling molecules, such as inflammatory molecules, cell survival proteins, protein kinases, protein reductases, histone acetyltransferase, histone deacetylase, glyoxalase I, xanthine oxidase, proteasome, HIV1 integrase, HIV1 protease, sarco (endo) plasmic reticulum Ca2+ ATPase, DNA methyltransferases 1, FtsZ protofilaments, carrier proteins, and metal ions. Curcumin can also bind directly to DNA and RNA. Owing to its β-diketone moiety, curcumin undergoes keto–enol tautomerism that has been reported as a favorable state for direct binding. The functional groups on curcumin found suitable for interaction with other macromolecules include the α, β-unsaturated β-diketone moiety, carbonyl and enolic groups of the β-diketone moiety, methoxy and phenolic hydroxyl groups, and the phenyl rings. Various biophysical tools have been used to monitor direct interaction of curcumin with other proteins, including absorption, fluorescence, Fourier transform infrared (FTIR) and circular dichroism (CD) spectroscopy, surface plasmon resonance, competitive ligand binding, Forster type fluorescence resonance energy transfer (FRET), radiolabeling, site-directed mutagenesis, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS), immunoprecipitation, phage display biopanning, electron microscopy, 1-anilino-8-naphthalene-sulfonate (ANS) displacement, and co-localization. Molecular docking, the most commonly employed computational tool for calculating binding affinities and predicting

  6. Measurements of the Absorption by Auditorium SEATING—A Model Study

    NASA Astrophysics Data System (ADS)

    BARRON, M.; COLEMAN, S.

    2001-01-01

    One of several problems with seat absorption is that only small numbers of seats can be tested in standard reverberation chambers. One method proposed for reverberation chamber measurements involves extrapolation when the absorption coefficient results are applied to actual auditoria. Model seat measurements in an effectively large model reverberation chamber have allowed the validity of this extrapolation to be checked. The alternative barrier method for reverberation chamber measurements was also tested and the two methods were compared. The effect on the absorption of row-row spacing as well as absorption by small numbers of seating rows was also investigated with model seats.

  7. Application of X-ray Absorption Spectroscopy to the study of nuclear structural materials

    NASA Astrophysics Data System (ADS)

    Liu, Shanshan

    One of key technologies for the next generation nuclear systems are advanced materials, including high temperature structural materials, fast neutron resistance core materials and so on. Local structure determination in these systems, which often are crystallographically intractable, is critical to gaining an understanding of their properties. In this thesis, X-ray Absorption Spectroscopy (XAS), including Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES), is used to examine the geometric and electronic structure of nuclear structural materials under varying conditions. The thesis is divided into two main sections. The first examines the structural analysis of nanostructured ferritic alloys (NFA) which are dispersion strengthened by an ultra high density of Y-Ti-O enriched nano-features, resulting in remarkable high temperature creep strength and radiation damage resistance. Titanium and Yttrium K-edge XAS shows commercial alloys MA957 and J12YWT more closely resemble the as received Fe-14Cr-3W-0.4Ti (wt. %) powders, and mechanically alloyed (MA) powders with 0.25Y2O3 (wt. %). It shows that a significant fraction of substitutional Ti remains dissolved in the (BCC) ferrite matrix. In contrast, annealed powders and hot isostatic press (HIP) consolidated alloys show high temperature heat treatments shift the Y and Ti to more oxidized states that are consistent with combinations of Y2Ti2O7 and, especially, TiO. The second section describes corrosion studies of Pb with 316L stainless steel, molybdenum and spinet (MgAl2O4) at high temperature by XAS. The corrosion of fuel cladding and structural materials by liquid lead at elevated temperatures is an issue that must be considered when designing advanced nuclear systems and high-power spallation neutron targets. The results of ex-situ studies show that a Mo substrate retained a smooth and less corroded surface than 316L stainless steel sample at elevated temperature. In

  8. Microbeam x-ray absorption spectroscopy study of chromium in large-grain uranium dioxide fuel

    NASA Astrophysics Data System (ADS)

    Mieszczynski, C.; Kuri, G.; Bertsch, J.; Martin, M.; Borca, C. N.; Delafoy, Ch; Simoni, E.

    2014-09-01

    Synchrotron-based microprobe x-ray absorption spectroscopy (XAS) has been used to study the local atomic structure of chromium in chromia-doped uranium dioxide (UO2) grains. The specimens investigated were a commercial grade chromia-doped UO2 fresh fuel pellet, and materials from a spent fuel pellet of the same batch, irradiated with an average burnup of ~40 MW d kg-1. Uranium L3-edge and chromium K-edge XAS have been measured, and the structural environments of central uranium and chromium atoms have been elucidated. The Fourier transform of uranium L3-edge extended x-ray absorption fine structure shows two well-defined peaks of U-O and U-U bonds at average distances of 2.36 and 3.83 Å. Their coordination numbers are determined as 8 and 11, respectively. The chromium Fourier transform extended x-ray absorption fine structure of the pristine UO2 matrix shows similar structural features with the corresponding spectrum of the irradiated spent fuel, indicative of analogous chromium environments in the two samples studied. From the chromium XAS experimental data, detectable next neighbor atoms are oxygen and uranium of the cation-substituted UO2 lattice, and two distinct subshells of chromium and oxygen neighbors, possibly because of undissolved chromia particles present in the doped fuels. Curve-fitting analyses using theoretical amplitude and phase-shift functions of the closest Cr-O shell and calculations with ab initio computer code FEFF and atomic clusters generated from the chromium-dissolved UO2 structure have been carried out. There is a prominent reduction in the length of the adjacent Cr-O bond of about 0.3 Å in chromia-doped UO2 compared with the ideal U-O bond length in standard UO2 that would be expected because of the change in effective Coulomb interactions resulting from replacing U4+ with Cr3+ and their ionic size differences. The contraction of shortest Cr-U bond is ~0.1 Å relative to the U-U bond length in bulk UO2. The difference in the

  9. Electronic topological transition in zinc under pressure: An x-ray absorption spectroscopy study

    NASA Astrophysics Data System (ADS)

    Aquilanti, G.; Trapananti, A.; Minicucci, M.; Liscio, F.; Twaróg, A.; Principi, E.; Pascarelli, S.

    2007-10-01

    Zinc metal has been studied at high pressure using x-ray absorption spectroscopy. In order to investigate the role of the different degrees of hydrostaticity on the occurrence of structural anomalies following the electronic topological transition, two pressure transmitting media have been used. Results show that the electronic topological transition, if it exists, does not induce an anomaly in the local environment of compressed Zn as a function of hydrostatic pressure and any anomaly must be related to a loss of hydrostaticity of the pressure transmitting medium. The near-edge structures of the spectra, sensitive to variations in the electronic density of states above the Fermi level, do not show any evidence of electronic transition whatever pressure transmitting medium is used.

  10. X-ray absorption studies of gamma irradiated Nd doped phosphate glass

    SciTech Connect

    Rai, V. N.; Rajput, Parasmani; Jha, S. N.; Bhattacharyya, D.

    2015-06-24

    This paper presents the X-ray absorption near edge structure (XANES) studies of Nd doped phosphate glasses before and after gamma irradiation. The intensity and location of L{sub III} edge white line peak of Nd changes depending on its concentration as well as on the ratio of O/Nd in the glass matrix. The decrease in the peak intensity of white line after gamma irradiation indicates towards reduction of Nd{sup 3+} to Nd{sup 2+} in the glass matrix, which increases with an increase in the doses of gamma irradiation. Similarity in the XANES spectra of Nd doped phosphate glasses and Nd{sub 2}O{sub 3} suggests that coordination geometry around Nd{sup 3+} in glass samples may be identical to that of Nd{sub 2}O{sub 3}.

  11. X-ray absorption studies of Ti/polymer and Cr/polymer interfaces

    SciTech Connect

    Opila, R.L.; Konstadinidis, K.; Ibidunni, A.O; Davenport, A.J.; Isaacs, H.S.

    1993-11-01

    The interface formed between metals, Ti and Cr, and polymers, epoxy, and triazine, have been studied, non-destructively, using x-ray absorption spectroscopy. The metals were sputtered onto the polymer surfaces. Titanium reacts extensively, up to Ti thickness of 100 {Angstrom} while Cr remains primarily metallic. In situ heating at 200{degree}C increases the extent of reaction for both metals. Heating has a greater effect on metal/epoxy interfaces than metal/triazine. Titanium and Cr were ion implanted into the polymer in order to determine the interactions of isolated metal atoms with the polymer. Titanium and Cr appear to form oxides as the final reaction product, and the Ti is tetrahedrally coordinated.

  12. Supramolecular fullerene/porphyrin charge transfer interaction studied by absorption spectrophotometric method

    NASA Astrophysics Data System (ADS)

    Mukherjee, Partha; Bhattacharya (Banerjee), Shrabanti; Nayak, Sandip K.; Chattopadhyay, Subrata; Bhattacharya, Sumanta

    2009-06-01

    A detailed UV-Vis spectrometric and thermodynamic studies were done to look insight into the nature of molecular interactions of the electron donor-acceptor complexes of C60 and C70 with 5,10,15,20-tetrakis(octadecyloxyphenyl)-21H,23H-porphyrin (1) in chloroform and toluene. Charge transfer (CT) absorption bands were located in the visible region and vertical ionization potential of 1 was determined utilizing CT transition energy. Low values of oscillator and transition dipole strengths suggested that the complexes were almost of neutral character in ground states. The high binding constant value for the C70-1 complex indicated high selectivity of 1 molecule towards C70. Experimental as well as theoretically determined of enthalpies of formation value substantiated the trend in K values for fullerene-1 complexes.

  13. Optical absorption and photoluminescence studies of gold nanoparticles deposited on porous silicon.

    PubMed

    Amran, Tengku Sarah Tengku; Hashim, Md Roslan; Al-Obaidi, Nihad K Ali; Yazid, Hanani; Adnan, Rohana

    2013-01-01

    We present an investigation on a coupled system consists of gold nanoparticles and silicon nanocrystals. Gold nanoparticles (AuNPs) embedded into porous silicon (PSi) were prepared using the electrochemical deposition method. Scanning electron microscope images and energy-dispersive X-ray results indicated that the growth of AuNPs on PSi varies with current density. X-ray diffraction analysis showed the presence of cubic gold phases with crystallite sizes around 40 to 58 nm. Size dependence on the plasmon absorption was studied from nanoparticles with various sizes. Comparison with the reference sample, PSi without AuNP deposition, showed a significant blueshift with decreasing AuNP size which was explained in terms of optical coupling between PSi and AuNPs within the pores featuring localized plasmon resonances. PMID:23331761

  14. Optical absorption and photoluminescence studies of gold nanoparticles deposited on porous silicon

    NASA Astrophysics Data System (ADS)

    Amran, Tengku Sarah Tengku; Hashim, Md Roslan; Al-Obaidi, Nihad K. Ali; Yazid, Hanani; Adnan, Rohana

    2013-01-01

    We present an investigation on a coupled system consists of gold nanoparticles and silicon nanocrystals. Gold nanoparticles (AuNPs) embedded into porous silicon (PSi) were prepared using the electrochemical deposition method. Scanning electron microscope images and energy-dispersive X-ray results indicated that the growth of AuNPs on PSi varies with current density. X-ray diffraction analysis showed the presence of cubic gold phases with crystallite sizes around 40 to 58 nm. Size dependence on the plasmon absorption was studied from nanoparticles with various sizes. Comparison with the reference sample, PSi without AuNP deposition, showed a significant blueshift with decreasing AuNP size which was explained in terms of optical coupling between PSi and AuNPs within the pores featuring localized plasmon resonances.

  15. Studies of fluorine in catalysts with ultrasoft X-ray absorption spectroscopy

    SciTech Connect

    Davis, S.M. ); Meitzner, G.D. ); Fischer, D.A. ); Gland, J. )

    1993-08-01

    The structures of fluorine-doped alumina catalyst powders have been studied by fluorescence yield ultrasoft X-ray absorption spectroscopy. The results presented here demonstrate that important local structural information can be obtained by the technique. It is established that fluoride ions are substituted for oxygen in alumina at low concentration of adsorbed fluorine. For doping levels larger than those required for saturation of the monolayer, the authors observed AlF[sub 3]-like features in the radial structure function. These results are in agreement with previous observations of bulk AlF[sub 3] in aluminas with high levels of fluorine doping. The fluorescence yield method is well suited for determining structures of a wide range of ceramic materials. 22 refs., 4 figs.

  16. Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin

    NASA Astrophysics Data System (ADS)

    Sajan, D.; Devi, T. Uma; Safakath, K.; Philip, Reji; Němec, Ivan; Karabacak, M.

    2013-05-01

    FT-IR, FT-Raman and UV-Vis spectra of the nonlinear optical molecule ninhydrin have been recorded and analyzed. The equilibrium geometry, bonding features, and harmonic vibrational wavenumbers have been investigated with the help of B3LYP density functional theory method. A detailed interpretation of the vibrational spectra is carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. Solvent effects have been calculated using time-dependent density functional theory in combination with the polarized continuum model. Natural bond orbital analysis confirms the occurrence of strong intermolecular hydrogen bonding in the molecule. Employing the open-aperture z-scan technique, nonlinear optical absorption of the sample has been studied in the ultrafast and short-pulse excitation regimes, using 100 fs and 5 ns laser pulses respectively. It is found that ninhydrin exhibits optical limiting for both excitations, indicating potential photonic applications.

  17. Transient absorption microscopy studies of energy relaxation in graphene oxide thin film

    NASA Astrophysics Data System (ADS)

    Murphy, Sean; Huang, Libai

    2013-04-01

    Spatial mapping of energy relaxation in graphene oxide (GO) thin films has been imaged using transient absorption microscopy (TAM). Correlated AFM images allow us to accurately determine the thickness of the GO films. In contrast to previous studies, correlated TAM-AFM allows determination of the effect of interactions of GO with the substrate and between stacked GO layers on the relaxation dynamics. Our results show that energy relaxation in GO flakes has little dependence on the substrate, number of stacked layers, and excitation intensity. This is in direct contrast to pristine graphene, where these factors have great consequences in energy relaxation. This suggests intrinsic factors rather than extrinsic ones dominate the excited state dynamics of GO films.

  18. Scanning Auger Microprobe and atomic absorption studies of lunar volcanic volatiles

    NASA Technical Reports Server (NTRS)

    Cirlin, E. H.; Housley, R. M.

    1979-01-01

    Results on lunar volatile transport processes have been obtained by studying green and brown glass droplets, orange and black core tube samples and the surface sample 74241 with the Scanning Auger Microprobe (SAM) and by Flameless Atomic Absorption Analysis (FLAA). SAM analyses show that the most dominant volatiles in the top few atomic layers of droplets are Zn and S, confirming that the surface Zn and S are good indicators of pyroclastic origin, and they are not entirely present as ZnS. In addition, FLAA thermal release profiles show that almost all the Zn and Cd are on grain surfaces, indicating that Zn and Cd were completely outgassed from lava fountain products during the volcanic eruption, were recondensed during or after the eruptions, and are thus present as surface coating.

  19. Theoretical study on the structures and optical absorption of Si172 nanoclusters

    NASA Astrophysics Data System (ADS)

    Qin, Wei; Lu, Wen-Cai; Xia, Lin-Hua; Zhao, Li-Zhen; Zang, Qing-Jun; Wang, C. Z.; Ho, K. M.

    2015-08-01

    The structures and optical properties of silicon nanoclusters (Si NCs) have attracted continuous interest in the last few decades. However, it is a great challenge to determine the structures of Si NCs for accurate property calculation due to the complication and competition of various structural motifs. In this work, a Si172 NC with a size of about 1.8 nm was investigated using a genetic algorithm combined with tight-binding and DFT calculations. We found that a diamond crystalline core with 50 atoms (1.2 nm) was formed in the Si172 NC. It can be expected that at a size of about 172 atoms, a diamond crystalline structure can nucleate from the center of the Si NCs. The optical properties of the pure and hydrogenated Si172 NC structures also have been studied using the TDDFT method. Compared with the pure Si172 NC, the absorption peaks of the hydrogenated Si172 NC are obviously blue-shifted.

  20. Mechanism of Pb Adsorption to Fatty Acid Langmuir Monolayers Studied by X-ray Absorption Fine Structure Spectroscopy

    SciTech Connect

    Boyanov, M.I.; Kmetko, J.; Shibata, T.; Datta, A.; Dutta, P.; Bunker, B.A.

    2010-09-30

    The local atomic environment of lead (Pb) adsorbed to a CH{sub 3}(CH{sub 2}){sub 19}COOH Langmuir monolayer was investigated in situ using grazing-incidence X-ray absorption fine structure (GI-XAFS) spectroscopy at the Pb L{sub III} edge. Measurements were performed at pH 6.5 of the 10{sup -5} M PbCl{sub 2} solution subphase, a condition under which grazing incidence diffraction (GID) revealed a large-area commensurate superstructure underneath the close-packed organic monolayer. The XAFS results indicate covalent binding of the Pb cations to the carboxyl headgroups, and the observed Pb-Pb coordination suggests that the metal is adsorbed as a hydrolysis polymer, rather than as individual Pb{sup 2+} ions. The data are consistent with a bidentate chelating mechanism and a one Pb atom to one carboxyl headgroup binding stoichiometry. We discuss how this adsorption model can explain the peculiarities observed with Pb in previous metal-Langmuir monolayer studies. A systematic study of lead perchlorate and lead acetate aqueous solutions is presented and used in the analysis. XAFS multiple scattering effects from alignment of the Pb-C-C atoms in the lead acetate solutions are reported.

  1. Absorption Spectroscopy Study of Acid-Base and Metal-Binding Properties of Flavanones

    NASA Astrophysics Data System (ADS)

    Shubina, V. S.; Shatalina, Yu. V.

    2013-11-01

    We have used absorption spectroscopy to study the acid-base and metal-binding properties of two structurally similar flavanones: taxifolin and naringenin. We have determined the acid dissociation constants for taxifolin (pKa1 = 7.10 ± 0.05, pKa2 = 8.60 ± 0.09, pKa3 = 8.59 ± 0.19, pKa4 = 11.82 ± 0.36) and naringenin (pKa1 = 7.05 ± 0.05, pKa2 = 8.85 ± 0.09, pKa3 = 12.01 ± 0.38). The appearance of new absorption bands in the visible wavelength region let us determine the stoichiometric composition of the iron (II) complexes of the flavanones. We show that at pH 5, in solution there is a mixture of complexes between taxifolin and iron (II) ions in stoichiometric ratio 2:1 and 1:2, while at pH 7.4 and pH 9, we detect a 1:1 taxifolin:Fe(II) complex. We established that at these pH values, naringenin forms a 2:1 complex with iron (II) ions. We propose structures for the complexes formed. Comprehensive study of the acid-base properties and the metal-binding capability of the two structurally similar flavanones let us determine the structure-properties relation and the conditions under which antioxidant activity of the polyphenols appears, via chelation of variable-valence metal ions.

  2. Studies of fullerene absorption and production using an infrared free-electron laser

    SciTech Connect

    Affatigato, M.; Haglund, R.F.; Ying, Z.C.; Compton, R.N.

    1995-12-31

    Tunable photon sources such as free-electron lasers are potentially valuable tools in spectroscopic studies of fullerenes, a new class of carbon materials with unique cage structures. We have used the infrared free-electron-laser facility at Vanderbilt University to study the infrared absorption of gas-phase fullerene molecules and also to investigate the effects of an infrared laser in the synthesis and crystallization of fullerene materials. In one experiment, fullerene vapor was created in a heat pipe through which the FEL beam was passed; the transmission of the FEL beam relative to a reference detector was measured as a function of wavelength. A large (>10%) absorption of the IR laser was observed when it passed through C{sub 60} vapor at {approximately}800{degrees}C. Due to the broad spectral width of the FEL as well as spectral congestion, no spectral peaks were seen when the laser wavelength was tuned across a T{sub 1u}C{sub 60} IR mode near 7.0 {mu}. However, it is expected that the vibrational features can be resolved experimentally by passing the transmitted beam through a monochromator. In a separate experiment, the FEL beam was focused onto a surface of graphite or graphite/metal mixture target. Various fullerene molecules, including endohedral types, were produced when the soot was recovered from the ablation chamber. The yield of the products was measured to be {approximately}0.4 g/J of the incident laser energy. However, both the yield and the product distribution are virtually, the same as those in experiments using a nanosecond Nd:YAG laser. This suggests that the laser wavelength is not a crucial parameter in making fullerenes by laser ablation. Even when the laser is at resonance with one of the vibrational modes of C{sub 60}, the fullerene production is neither substantially enhanced nor suppressed.

  3. Na-induced bonding and bond-length changes for CO on Pt(111): A near-edge x-ray-absorption fine-structure study

    NASA Astrophysics Data System (ADS)

    Sette, F.; Stöhr, J.; Kollin, E. B.; Dwyer, D. J.; Gland, J. L.; Robbins, J. L.; Johnson, A. L.

    1985-03-01

    Near-edge x-ray absorption fine-structure studies above the C and O K edges for CO on Pt(111) reveal a 4-eV shift of the σ shape resonance when Na(0.2 monolayer) is coabsorbed. This allows determination of a Na-induced (0.12+/-0.03)-Å expansion of the C-O bond. Na does not affect the vertical molecular orientation on the surface. Reduction and broadening of the 1s-->2π* resonance and the CO bond lengthening in the presence of Na signifies substantially increased metal to CO backbonding.

  4. Suitability of skin integrity tests for dermal absorption studies in vitro.

    PubMed

    Guth, Katharina; Schäfer-Korting, Monika; Fabian, Eric; Landsiedel, Robert; van Ravenzwaay, Ben

    2015-02-01

    Skin absorption testing in vitro is a regulatory accepted alternative method (OECD Guideline 428). Different tests can be applied to evaluate the integrity of the skin samples. Here, we compared the pre- or post-run integrity tests (transepidermal electrical resistance, TEER; transepidermal water loss, TEWL; absorption of the reference compounds water, TWF, or methylene blue, BLUE) and additionally focused on co-absorption of a (3)H-labeled internal reference standard (ISTD) as integrity parameter. The results were correlated to absorption profiles of various test compounds. Limit values of 2kΩ, 10 gm(-2)h(-1) and 4.5∗10(-3)cmh(-1) for the standard methods TEER, TEWL and TWF, respectively, allowed distinguishing between impaired and intact human skin samples in general. Single skin samples did, however, not, poorly and even inversely correlate with the test-compound absorption. In contrast, results with ISTD (e.g. (3)H-testosterone) were highly correlated to the absorption of (14)C-labeled test compounds. Importantly, ISTD did not influence analytics or absorption of test compounds. Therefore, ISTD, especially when adjusted to the physico-chemical properties of test compounds, is a promising concept to assess the integrity of skin samples during the whole course of absorption experiments. However, a historical control dataset is yet necessary for a potential routine application. PMID:25280455

  5. The use of UV-Vis absorption spectroscopy for studies of natively disordered proteins.

    PubMed

    Permyakov, Eugene A

    2012-01-01

    Absorption spectroscopy can be used to monitor structural changes upon transitions from ordered to disordered state in proteins. Changes in environment of tryptophan, tyrosine, and phenylalanine residues result in changes of their absorption spectra. In most cases the changes are small and can be measured only in a differential mode.

  6. Suitability of skin integrity tests for dermal absorption studies in vitro.

    PubMed

    Guth, Katharina; Schäfer-Korting, Monika; Fabian, Eric; Landsiedel, Robert; van Ravenzwaay, Ben

    2015-02-01

    Skin absorption testing in vitro is a regulatory accepted alternative method (OECD Guideline 428). Different tests can be applied to evaluate the integrity of the skin samples. Here, we compared the pre- or post-run integrity tests (transepidermal electrical resistance, TEER; transepidermal water loss, TEWL; absorption of the reference compounds water, TWF, or methylene blue, BLUE) and additionally focused on co-absorption of a (3)H-labeled internal reference standard (ISTD) as integrity parameter. The results were correlated to absorption profiles of various test compounds. Limit values of 2kΩ, 10 gm(-2)h(-1) and 4.5∗10(-3)cmh(-1) for the standard methods TEER, TEWL and TWF, respectively, allowed distinguishing between impaired and intact human skin samples in general. Single skin samples did, however, not, poorly and even inversely correlate with the test-compound absorption. In contrast, results with ISTD (e.g. (3)H-testosterone) were highly correlated to the absorption of (14)C-labeled test compounds. Importantly, ISTD did not influence analytics or absorption of test compounds. Therefore, ISTD, especially when adjusted to the physico-chemical properties of test compounds, is a promising concept to assess the integrity of skin samples during the whole course of absorption experiments. However, a historical control dataset is yet necessary for a potential routine application.

  7. Vitamin D-mediated calcium absorption in patients with clinically stable Crohn's disease: a pilot study

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Vitamin D is the critical hormone for intestinal absorption of calcium. Optimal calcium absorption is important for proper mineralization of bone in the prevention of osteoporosis and osteoporotic fractures, among other important functions. Diseases associated with gut inflammation, such as Crohn's ...

  8. Study on Nonlinear Absorption Effect of Nanosecond Pulse Laser Irradiation for GaAs.

    PubMed

    Sun, Wenjun; Liu, Zhongyang; Zhou, Haijiao

    2016-04-01

    In order to research nonlinear absorption effect of pulse laser irradiation for GaAs, a physical model of Gaussian distribution pulse laser irradiation for semiconductor material was established by software COMSOL Multiphysics. The thermal effects of semiconductor material GaAs was analyzed under irradiation of nanosecond pulse laser with wavelength of 1064 nm. The radial and transverse temperature distribution of semiconductor material GaAs was calculated under irradiation of nanosecond pulse laser with different power density by solving the thermal conduction equations. The contribution of one-photon absorption, two-photon absorption and free carrier absorption to temperature of GaAs material were discussed. The results show that when the pulse laser power density rises to 10(10) W/cm2, free carrier absorption played a leading role and it was more than that of one-photon absorption of material. The temperature contribution of two-photon absorption and free carrier absorption could be ignored at laser power density lower than 10(8) W/cm2. The result is basically consistent with relevant experiments, which shows that physical model constructed is valid. PMID:27451733

  9. Study on Nonlinear Absorption Effect of Nanosecond Pulse Laser Irradiation for GaAs.

    PubMed

    Sun, Wenjun; Liu, Zhongyang; Zhou, Haijiao

    2016-04-01

    In order to research nonlinear absorption effect of pulse laser irradiation for GaAs, a physical model of Gaussian distribution pulse laser irradiation for semiconductor material was established by software COMSOL Multiphysics. The thermal effects of semiconductor material GaAs was analyzed under irradiation of nanosecond pulse laser with wavelength of 1064 nm. The radial and transverse temperature distribution of semiconductor material GaAs was calculated under irradiation of nanosecond pulse laser with different power density by solving the thermal conduction equations. The contribution of one-photon absorption, two-photon absorption and free carrier absorption to temperature of GaAs material were discussed. The results show that when the pulse laser power density rises to 10(10) W/cm2, free carrier absorption played a leading role and it was more than that of one-photon absorption of material. The temperature contribution of two-photon absorption and free carrier absorption could be ignored at laser power density lower than 10(8) W/cm2. The result is basically consistent with relevant experiments, which shows that physical model constructed is valid.

  10. [Study on intestinal absorption of formononetin in Millettia nitita var. hirsutissima in rats].

    PubMed

    Liu, Ya-Li; Xiong, Xian-Bing; Su, Dan; Song, Yong-Gui; Zhang, Ling; Yang, Shi-Lin

    2013-10-01

    To use the single-pass intestine perfusion (SPIP) model and HPLC to determine the concentration of formononetin, the effect of quality concentrations of formononetin, different intestinal segments and P-glycoprotein inhibitor on intestinal absorption of formononetin, in order to observe the intestinal absorption mechanism of formononetin from Millettia nitita var. hirsutissima in rats. The experimental results showed that the qulaity concentration of formononetin in the perfusate had no significant effect on the absorption rate constant (K(a)) and the apparent absorption coefficient (P(app)); K(a) and P(app) of formononetin in duodenum, jejunum and ileum showed no significant difference. However, K(a) was significantly higher than that in colon (P < 0.05), with significant difference between that in intestinum tenue and colon. P-glycoprotein inhibitor verapamil showed significant difference in K(a) and P(app) in intestinal segments (P < 0.05). This indicated that the absorption mechanism of formononein in rat intestinal tracts passive diffusion, without any saturated absorption. Formononein is absorbed well in all intestines. Their absorption windows were mainly concentrated in the intestinum tenue, without specific absorption sites. Formononein may be the substrate of P-glycoprotein. PMID:24490575

  11. Microscopic study reveals the singular origins of growth

    NASA Astrophysics Data System (ADS)

    Yaari, G.; Nowak, A.; Rakocy, K.; Solomon, S.

    2008-04-01

    Anderson [Science 177, 293 (1972)] proposed the concept of complexity in order to describe the emergence and growth of macroscopic collective patterns out of the simple interactions of many microscopic agents. In the physical sciences this paradigm was implemented systematically and confirmed repeatedly by successful confrontation with reality. In the social sciences however, the possibilities to stage experiments to validate it are limited. During the 90's a series of dramatic political and economic events have provided the opportunity to do so. We exploit the resulting empirical evidence to validate a simple agent based alternative to the classical logistic dynamics. The post-liberalization empirical data from Poland confirm the theoretical prediction that the dynamics is dominated by singular rare events which insure the resilience and adaptability of the system. We have shown that growth is led by few singular “growth centers" (Fig. 1), that initially developed at a tremendous rate (Fig. 3), followed by a diffusion process to the rest of the country and leading to a positive growth rate uniform across the counties. In addition to the interdisciplinary unifying potential of our generic formal approach, the present work reveals the strong causal ties between the “softer" social conditions and their “hard" economic consequences.

  12. Raman, photoluminescence and absorption studies on high quality AlN single crystals

    NASA Astrophysics Data System (ADS)

    Senawiratne, J.; Strassburg, M.; Dietz, N.; Haboeck, U.; Hoffmann, A.; Noveski, V.; Dalmau, R.; Schlesser, R.; Sitar, Z.

    2005-05-01

    High quality AlN single crystals grown by physical vapour transport and by sublimation of AlN powder were investigated by Raman, photoluminescence (PL) and absorption spectroscopy. Absorption edges of the AlN single crystals varying from 4.1 eV to 5.9 eV as determined by transmission measurements. Near band edge absorption, PL and glow discharge mass spectroscopy identified impurities such as oxygen, silicon, carbon, and boron that contribute to the absorption and emission bands below the bandgap. The absorption coefficients were derived from UV (6 eV) to FIR (60 meV) spectral range. The exact crystal orientation of the samples, and their low carrier density were confirmed by Raman spectroscopy.

  13. Tunable Microwave Absorption Frequency by Aspect Ratio of Hollow Polydopamine@α-MnO2 Microspindles Studied by Electron Holography.

    PubMed

    She, Wen; Bi, Han; Wen, Zhiwei; Liu, Qinghe; Zhao, Xuebing; Zhang, Jie; Che, Renchao

    2016-04-20

    A tunable response frequency is highly desirable for practical applications of microwave absorption materials but remains a great challenge. Here, hollow lightweight polydopamine@α-MnO2 microspindles were facilely synthesized with the tunable absorption frequency governed by the aspect ratio. The size of the hard template is a key factor to achieve the unique shape; the polymer layer with uniform thickness plays an important role in obtaining spindles with homogeneous size. With the aspect ratio increasing, the maximum reflection loss, as well as the absorption bandwidth (<-10 dB), increases and then decreases; meanwhile, the microwave absorption band shifts to the low frequency. The optimized aspect ratio of the cavity about the hollow polydopamine@α-MnO2 microspindles is ∼2.8. With 3 mm thickness at 9.7 GHz, the strongest reflection reaches -21.8 dB, and the width of the absorbing band (<-10 dB) is as wide as 3.3 GHz. Via electron holography, it is confirmed that strong charge accumulates around the interface between the polydopamine and α-MnO2 layers, which mainly contributes to the dielectric polarization absorption. This study proposes a reliable strategy to tune the absorption frequency via different aspect ratio polymer@α-MnO2 microspindles. PMID:27027922

  14. [Study on determination of plume velocity by passive differential optical absorption spectroscopy].

    PubMed

    Li, Ang; Xie, Pin-hua; Liu, Wen-qing; Liu, Jian-guo; Dou, Ke; Lin, Yi-hui

    2008-10-01

    Differential optical absorption spectroscopy (DOAS) technique has been used to measure various trace gases in the atmosphere by their strongly structured absorption of radiation in the UV and visible spectral range. Passive DOAS using the zenith scattered sunlight as the light source can obtain the continuous column density distribution of air pollutants (such as SO2 and NO2) by scanning the plume emitted from sources on a mobile platform, then with the plume velocity information the total emission value can be ultimately estimated. In practice it is hard to calculate the total emission because there is no efficient way to accurately get the plume velocity which is the most important parameter. Usually the wind speed near ground is used as the actual plume speed, which constitutes the greatest source of uncertainty in the passive DOAS measurements for the total emission calculation. A passive DOAS method for the determination of plume velocity of pollution source was studied in the present paper. Two passive DOAS systems were placed under the plume along the plume transmission direction to observed the scattered sunlight at one fixed sepasation angle, and then the plume velocity was derived from the time delay resulting from the plume moving a certain distance, and also the plume height needed in the plume velocity calculation was measured by the same two passive DOAS systems. Measurement of the plume emitted from a certain power plant was carried out by the two passive DOAS systems and the plume velocities of 3.6 and 5.4 m x s(-1) at two separate moments were derived. The comparison with the wind speed measured at the same time by the single theodolite wind observation method indicates that this optical remote sensing method based on passive DOAS can be used to determine the plume velocity by monitoring the total emission from sources.

  15. [Study on determination of plume velocity by passive differential optical absorption spectroscopy].

    PubMed

    Li, Ang; Xie, Pin-hua; Liu, Wen-qing; Liu, Jian-guo; Dou, Ke; Lin, Yi-hui

    2008-10-01

    Differential optical absorption spectroscopy (DOAS) technique has been used to measure various trace gases in the atmosphere by their strongly structured absorption of radiation in the UV and visible spectral range. Passive DOAS using the zenith scattered sunlight as the light source can obtain the continuous column density distribution of air pollutants (such as SO2 and NO2) by scanning the plume emitted from sources on a mobile platform, then with the plume velocity information the total emission value can be ultimately estimated. In practice it is hard to calculate the total emission because there is no efficient way to accurately get the plume velocity which is the most important parameter. Usually the wind speed near ground is used as the actual plume speed, which constitutes the greatest source of uncertainty in the passive DOAS measurements for the total emission calculation. A passive DOAS method for the determination of plume velocity of pollution source was studied in the present paper. Two passive DOAS systems were placed under the plume along the plume transmission direction to observed the scattered sunlight at one fixed sepasation angle, and then the plume velocity was derived from the time delay resulting from the plume moving a certain distance, and also the plume height needed in the plume velocity calculation was measured by the same two passive DOAS systems. Measurement of the plume emitted from a certain power plant was carried out by the two passive DOAS systems and the plume velocities of 3.6 and 5.4 m x s(-1) at two separate moments were derived. The comparison with the wind speed measured at the same time by the single theodolite wind observation method indicates that this optical remote sensing method based on passive DOAS can be used to determine the plume velocity by monitoring the total emission from sources. PMID:19123375

  16. Implementing Japanese Lesson Study in Foreign Countries: Misconceptions Revealed

    ERIC Educational Resources Information Center

    Fujii, Toshiakira

    2014-01-01

    This paper is based on data gathered during visits to Uganda and Malawi, conducted by the International Math-teacher Professionalization Using Lesson Study (IMPULS) project and the Japanese International Cooperation Agency (JICA). The author's observations and experiences highlighted misconceptions about lesson study. The paper concludes that…

  17. Study Reveals Brain Biology behind Self-Control

    ERIC Educational Resources Information Center

    Sparks, Sarah D.

    2011-01-01

    A new neuroscience twist on a classic psychology study offers some clues to what makes one student able to buckle down for hours of homework before a test while his classmates party. The study published in the September 2011 edition of "Proceedings of the National Academy of Science," suggests environmental cues may "hijack" the brain's mechanisms…

  18. Orientation and electronic structure of ion exchanged dye molecules on mica: An X-ray absorption study

    SciTech Connect

    Fischer, D.; Caseri, W.R.; Haehner, G.

    1998-02-15

    Dye molecules are frequently used to determine the specific surface area and the ion exchange capacity of high-surface-area materials such as mica. The organic molecules are often considered to be planar and to adsorb in a flat orientation. In the present study the authors have investigated the orientation and electronic structure of crystal violet (CV) and malachite green (MG) on muscovite mica, prepared by immersing the substrates for extended periods into aqueous solutions of the dyes of various concentrations. The K{sup +} ions of the mica surface are replaced by the organic cations via ion exchange. X-ray photoelectron spectroscopy reveals that only one amino group is involved in the interaction of CV and MG with the muscovite surface, i.e., certain resonance structures are abolished upon adsorption. With near edge X-ray absorption fine structure spectroscopy a significant tilt angle with respect to the surface was found for all investigated species. A flat orientation, as has often been proposed before, can effectively be ruled out. Hence, results are in marked contrast to the often quoted orientation and suggest that the specific surface areas determined with dyes may, in general, be overestimated.

  19. Absorption capacity of renal proximal tubular cells studied by combined injections of YFP and GFP in Rana temporaria L.

    PubMed

    Prutskova, N P; Seliverstova, E V

    2013-09-01

    The capacity for protein reabsorption in the renal proximal tubule (PT) was studied in Rana temporaria frogs by separate, simultaneous and sequential introduction of yellow fluorescent protein (YFP) and green fluorescent protein (GFP). The uptake patterns of YFP and GFP in PT epithelial cells were investigated 15-120min after their bolus intravenous and intraperitoneal injection. As shown by confocal microscopy, the tubular uptake of YFP and GFP was time- and dose-dependent. These proteins are absorbed in similar way and can be accumulated in the same endocytic vesicles after their combined injections. When GFP was injected 30 and 90min before YFP, and vice versa, the number of vesicles with pre-injected protein increased and the percentage of vesicles with colocalized GFP and YFP reduced. At the same time, the uptake rate of a protein injected later progressively and significantly decreased. Subcellular localization of endocytic receptors, megalin and cubilin, in renal PT cells after intravenous YFP introduction were revealed by immunofluorescent microscopy. Colocalization of internalized YFP with megalin or cubilin in the endocytic vesicles was demonstrated. The data suggest the possibility of protein uptake by receptor-mediated endocytosis and the existence of a mechanism limiting the protein absorption rate in wintering frogs.

  20. Energy transfer in the peridinin chlorophyll-a protein of Amphidinium carterae studied by polarized transient absorption and target analysis.

    PubMed Central

    Krueger, B P; Lampoura, S S; van Stokkum, I H; Papagiannakis, E; Salverda, J M; Gradinaru, C C; Rutkauskas, D; Hiller, R G; van Grondelle, R

    2001-01-01

    The peridinin chlorophyll-a protein (PCP) of dinoflagellates differs from the well-studied light-harvesting complexes of purple bacteria and green plants in its large (4:1) carotenoid to chlorophyll ratio and the unusual properties of its primary pigment, the carotenoid peridinin. We utilized ultrafast polarized transient absorption spectroscopy to examine the flow of energy in PCP after initial excitation into the strongly allowed peridinin S2 state. Global and target analysis of the isotropic and anisotropic decays reveals that significant excitation (25-50%) is transferred to chlorophyll-a directly from the peridinin S2 state. Because of overlapping positive and negative features, this pathway was unseen in earlier single-wavelength experiments. In addition, the anisotropy remains constant and high in the peridinin population, indicating that energy transfer from peridinin to peridinin represents a minor or negligible pathway. The carotenoids are also coupled directly to chlorophyll-a via a low-lying singlet state S1 or the recently identified SCT. We model this energy transfer time scale as 2.3 +/- 0.2 ps, driven by a coupling of approximately 47 cm(-1). This coupling strength allows us to estimate that the peridinin S1/SCT donor state transition moment is approximately 3 D. PMID:11371458

  1. Study on the highly transmitted Ag–In2O3/glass nanocomposite material: fabrication, microstructure and nonlinear absorption effects

    NASA Astrophysics Data System (ADS)

    Han, Liyuan; Yin, Dewu; Xu, Qin; Yang, Xinyu; Gao, Xiaoli; Lu, Xue; Liu, Haitao

    2016-11-01

    We fabricated a highly transmitted Ag–In2O3/glass nanocomposite material through a sol–gel method plus a controlled gas. Microstructural analysis revealed that the Ag and In elements in the Ag–In2O3 nanostructure exist in two forms: crystalline Ag nanoparticles and non-crystalline In2O3. And the crystalline Ag nanoparticles show the small size, uniform distribution and good dispersion in the glass host, thus triggering the surface plasmon resonance (SPR) effect and the quantum confinement effect. Remarkably, the Ag–In2O3/glass nanocomposite material exhibits the high transmittance greater than 70% in almost the whole visible spectral range. Open-aperture Z-scan technique further showed a typical two-photon absorption effect in the Ag–In2O3/glass nanocomposite material, where the nonlinear absorption coefficient was determined to be ~1.1  ×  10‑9 cm W‑1, and interestingly, the normalized transmittance decreased with increasing input fluence. The present results blaze a new path to develop the metal/glass nanocomposite materials with high transmittance, significant nonlinear absorption effects and potential optical limiting behavior. In addition, the mechanism on the nonlinear absorption effects were also discussed in this paper, such as the SPR effect, the quantum confinement effect, the thermal effects, the nonlinear scattering effect and the resonant nonlinear effect.

  2. Experimental study of absorption band controllable planar metamaterial absorber using asymmetrical snowflake-shaped configuration

    NASA Astrophysics Data System (ADS)

    Huang, Yongjun; Tian, Yiran; Wen, Guangjun; Zhu, Weiren

    2013-05-01

    In this paper, we systematically discuss a novel planar metamaterial absorber (PMA) based on asymmetrical snowflake-shaped resonators, which can exhibit two distinctly different absorption states, single- and dual-band absorptions, by controlling the branch lengths of the proposed resonators. Numerical simulations and experimental measurements are employed to investigate these two kinds of absorption characteristic in an X-band rectangular waveguide. Both results indicate that such a PMA exhibits a wide range of controllable operating frequencies for the single- and dual-band conditions. The proposed PMA is simple and easy to make, and it has wide applications in the fields of stealth technologies, thermal detectors, and imaging.

  3. The studies of high-frequency magnetic properties and absorption characteristics for amorphous-filler composites

    NASA Astrophysics Data System (ADS)

    Li, Z. W.; Yang, Z. H.

    2015-10-01

    Pure amorphous flake fillers and amorphous flakes coated by ferrite nanoparticles with core-shell-like structure were fabricated using mechanical ball-milling. The later with core-shell-like structure can greatly decrease permittivity and improve the absorption properties, as compared to the former. The absorption of all amorphous-filler composites has its origin in a quarter-wavelength resonator. Based on the resonator model, absorption frequency fA and the corresponding return loss RL are calculated, which are well consistent with observed values. It is also found that the resonance frequency is proportional to effective resistivity, based on William-Shockley-Kittel's eddy model.

  4. Toward picosecond time-resolved X-ray absorption studies of interfacial photochemistry

    NASA Astrophysics Data System (ADS)

    Gessner, Oliver; Mahl, Johannes; Neppl, Stefan

    2016-05-01

    We report on the progress toward developing a novel picosecond time-resolved transient X-ray absorption spectroscopy (TRXAS) capability for time-domain studies of interfacial photochemistry. The technique is based on the combination of a high repetition rate picosecond laser system with a time-resolved X-ray fluorescent yield setup that may be used for the study of radiation sensitive materials and X-ray spectroscopy compatible photoelectrochemical (PEC) cells. The mobile system is currently deployed at the Advanced Light Source (ALS) and may be used in all operating modes (two-bunch and multi-bunch) of the synchrotron. The use of a time-stamping technique enables the simultaneous recording of TRXAS spectra with delays between the exciting laser pulses and the probing X-ray pulses spanning picosecond to nanosecond temporal scales. First results are discussed that demonstrate the viability of the method to study photoinduced dynamics in transition metal-oxide semiconductor (SC) samples under high vacuum conditions and at SC-liquid electrolyte interfaces during photoelectrochemical water splitting. Opportunities and challenges are outlined to capture crucial short-lived intermediates of photochemical processes with the technique. This work was supported by the Department of Energy Office of Science Early Career Research Program.

  5. Non-invasive gas monitoring in newborn infants using diode laser absorption spectroscopy: a case study

    NASA Astrophysics Data System (ADS)

    Lundin, Patrik; Svanberg, Emilie K.; Cocola, Lorenzo; Lewander, Märta; Andersson-Engels, Stefan; Jahr, John; Fellman, Vineta; Svanberg, Katarina; Svanberg, Sune

    2012-03-01

    Non-invasive diode laser spectroscopy was, for the first time, used to assess gas content in the intestines and the lungs of a new-born, 4 kg, baby. Two gases, water vapor and oxygen, were studied with two low-power tunable diode lasers, illuminating the surface skin tissue and detecting the diffusely emerging light a few centimeters away. The light, having penetrated into the tissue, had experienced absorption by gas located in the lungs and in the intestines. Very distinct water vapor signals were obtained from the intestines while imprint from oxygen was lacking, as expected. Detectable, but minor, signals of water vapor were also obtained from the lungs, illuminating the armpit area and detecting below the collar bone. Water vapor signals were seen but again oxygen signals were lacking, now due to the difficulties of penetration of the oxygen probing light into the lungs of this full-term baby. Ultra-sound images were obtained both from the lungs and from the stomach of the baby. Based on dimensions and our experimental findings, we conclude, that for early pre-term babies, also oxygen should be detectable in the lungs, in addition to intestine and lung detection of water vapor. The present paper focuses on the studies of the intestines while the lung studies will be covered in a forthcoming paper.

  6. Developmental palaeontology of Reptilia as revealed by histological studies.

    PubMed

    Scheyer, Torsten M; Klein, Nicole; Sander, P Martin

    2010-06-01

    Among the fossilized ontogenetic series known for tetrapods, only more basal groups like temnospondyl amphibians have been used extensively in developmental studies, whereas reptilian and synapsid data have been largely neglected so far. However, before such ontogenetic series can be subject to study, the relative age and affiliation of putative specimens within a series has to be verified. Bone histology has a long-standing tradition as being a source of palaeobiological and growth history data in fossil amniotes and indeed, the analysis of bone microstructures still remains the most important and most reliable tool for determining the absolute ontogenetic age of fossil vertebrates. It is also the only direct way to reconstruct life histories and growth strategies for extinct animals. Herein the record of bone histology among Reptilia and its application to elucidate and expand fossilized ontogenies as a source of developmental data are reviewed.

  7. Recent advances in maize nuclear proteomic studies reveal histone modifications.

    PubMed

    Casati, Paula

    2012-01-01

    The nucleus of eukaryotic organisms is highly dynamic and complex, containing different types of macromolecules including DNA, RNA, and a wide range of proteins. Novel proteomic applications have led to a better overall determination of nucleus protein content. Although nuclear plant proteomics is only at the initial phase, several studies have been reported and are summarized in this review using different plants species, such as Arabidopsis thaliana, rice, cowpea, onion, garden cress, and barrel clover. These include the description of the total nuclear or phospho-proteome (i.e., Arabidopsis, cowpea, onion), or the analysis of the differential nuclear proteome under different growth environments (i.e., Arabidopsis, rice, cowpea, onion, garden cress, and barrel clover). However, only few reports exist on the analysis of the maize nuclear proteome or its changes under various conditions. This review will present recent data on the study of the nuclear maize proteome, including the analysis of changes in posttranslational modifications in histone proteins. PMID:23248634

  8. Interaction of Isophorone with Pd(111): A Combination of Infrared Reflection–Absorption Spectroscopy, Near-Edge X-ray Absorption Fine Structure, and Density Functional Theory Studies

    PubMed Central

    2014-01-01

    Atomistic level understanding of interaction of α,β-unsaturated carbonyls with late transition metals is a key prerequisite for rational design of new catalytic materials with the desired selectivity toward C=C or C=O bond hydrogenation. The interaction of this class of compounds with transition metals was investigated on α,β-unsaturated ketone isophorone on Pd(111) as a prototypical system. In this study, infrared reflection–absorption spectroscopy (IRAS), near-edge X-ray absorption fine structure (NEXAFS) experiments, and density functional theory calculations including van der Waals interactions (DFT+vdW) were combined to obtain detailed information on the binding of isophorone to palladium at different coverages and on the effect of preadsorbed hydrogen on the binding and adsorption geometry. According to these experimental observations and the results of theoretical calculations, isophorone adsorbs on Pd(111) in a flat-lying geometry at low coverages. With increasing coverage, both C=C and C=O bonds of isophorone tilt with respect to the surface plane. The tilting is considerably more pronounced for the C=C bond on the pristine Pd(111) surface, indicating a prominent perturbation and structural distortion of the conjugated π system upon interaction with Pd. Preadsorbed hydrogen leads to higher tilting angles of both π bonds, which points to much weaker interaction of isophorone with hydrogen-precovered Pd and suggests the conservation of the in-plane geometry of the conjugated π system. The results of the DFT+vdW calculations provide further insights into the perturbation of the molecular structure of isophorone on Pd(111). PMID:26089998

  9. Effect of silica capping on the oxidation of Fe3O4 nanoparticles in dispersion revealed by x-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Warland, A.; Antoniak, C.; Darbandi, M.; Weis, C.; Landers, J.; Keune, W.; Wende, H.

    2012-06-01

    Fe3O4 nanoparticles have been investigated as they are biocompatible and their surface can be functionalized. We synthesized iron oxide nanoparticles using a water-in-oil microemulsion method. Bare and silica-coated iron oxide nanoparticles of a core size of 6 nm dispersed in ethanol have been investigated by means of x-ray absorption spectroscopy (XAS). Due to a dedicated experimental setup the particles can be measured directly in dispersion. XAS allows us to disentangle the contributions of the Fe2+ and Fe3+ ions and therefore to estimate the amount of Fe3O4 in the particles. In case of the silica coated particles a high amount of magnetite was obtained. In contrast, the bare nanoparticles showed indications of a further oxidation into γ-Fe2O3 even in dispersion.

  10. Studies of Ancient Lice Reveal Unsuspected Past Migrations of Vectors

    PubMed Central

    Drali, Rezak; Mumcuoglu, Kosta Y.; Yesilyurt, Gonca; Raoult, Didier

    2015-01-01

    Lice are among the oldest parasites of humans representing an excellent marker of the evolution and migration of our species over time. Here, we analyzed by real-time polymerase chain reaction (RT-PCR) developed in this study the mitochondrial DNA of seven ancient head louse eggs found on hair remains recovered from two sites in Israel: 1) five nits dating from Chalcolithic period (4,000 bc) were found in the Cave of the Treasure located at Nahal Mishmar, in the Judean Desert and 2) two nits dating from Early Islamic Period (ad 650–810) were found in Nahal Omer in the Arava Valley (between Dead Sea and Red Sea). Our results suggest that these eggs belonged to people originating from west Africa based on identification of the louse mitochondrial sub-clade specific to that region. PMID:26078317

  11. Photothermal microscopy for the study of laser damage initiation by measurement of absorption modification of silica seeded with gold nanoparticles

    NASA Astrophysics Data System (ADS)

    During, Annelise; Bertussi, Bertrand; Commandre, Mireille; Natoli, Jean-Yves; Bonneau, Florian E.; Combis, Patrick; Rullier, Jean-Luc; Cottancin, Emmanuel; Pellarin, Michel

    2004-06-01

    In order to understand the mechanisms of laser damage initiation, we study "model" samples constituted of pure silica seeded with 3 nm gold particles. Numerical simulations are performed with a 1-D hydrodynamic code to determine the laser light absorption by a spherical nanoparticle. This code also simulates the thermal conduction, radiative transfer and ionization by UV light emitted by the heated metallic particles. The setup used for experimental studies is a high resolution, high sensitivity photothermal microscope. This setup allows correlation between optical absorption and laser irradiation. We observe the silica transformation in terms of absorption modification as a function of the irradiation fluence. The morphology of irradiated samples surface is observed thanks to "Nomarski" and "atomic force" microscopy and compared to photothermal microscopy results. A correlation is observed between flaked silica and strongly absorbing areas.

  12. Epistatic study reveals two genetic interactions in blood pressure regulation

    PubMed Central

    2013-01-01

    Background Although numerous candidate gene and genome-wide association studies have been performed on blood pressure, a small number of regulating genetic variants having a limited effect have been identified. This phenomenon can partially be explained by possible gene-gene/epistasis interactions that were little investigated so far. Methods We performed a pre-planned two-phase investigation: in phase 1, one hundred single nucleotide polymorphisms (SNPs) in 65 candidate genes were genotyped in 1,912 French unrelated adults in order to study their two-locus combined effects on blood pressure (BP) levels. In phase 2, the significant epistatic interactions observed in phase 1 were tested in an independent population gathering 1,755 unrelated European adults. Results Among the 9 genetic variants significantly associated with systolic and diastolic BP in phase 1, some may act through altering the corresponding protein levels: SNPs rs5742910 (Padjusted≤0.03) and rs6046 (Padjusted =0.044) in F7 and rs1800469 (Padjusted ≤0.036) in TGFB1; whereas some may be functional through altering the corresponding protein structure: rs1800590 (Padjusted =0.028, SE=0.088) in LPL and rs2228570 (Padjusted ≤9.48×10-4) in VDR. The two epistatic interactions found for systolic and diastolic BP in the discovery phase: VCAM1 (rs1041163) * APOB (rs1367117), and SCGB1A1 (rs3741240) * LPL (rs1800590), were tested in the replication population and we observed significant interactions on DBP. In silico analyses yielded putative functional properties of the SNPs involved in these epistatic interactions trough the alteration of corresponding protein structures. Conclusions These findings support the hypothesis that different pathways and then different genes may act synergistically in order to modify BP. This could highlight novel pathophysiologic mechanisms underlying hypertension. PMID:23298194

  13. High-resolution x-ray absorption spectroscopy studies of metal compounds in neurodegenerative brain tissue

    SciTech Connect

    Collingwood, J.F.; Mikhaylova, A.; Davidson, M.R.; Batich, C.; Streit, W.J.; Eskin, T.; Terry, J.; Barrea, R.; Underhill, R.S.; Dobson, J.

    2008-06-16

    Fluorescence mapping and microfocus X-ray absorption spectroscopy are used to detect, locate and identify iron biominerals and other inorganic metal accumulations in neurodegenerative brain tissue at sub-cellular resolution (< 5 microns). Recent progress in developing the technique is reviewed. Synchrotron X-rays are used to map tissue sections for metals of interest, and XANES and XAFS are used to characterize anomalous concentrations of the metals in-situ so that they can be correlated with tissue structures and disease pathology. Iron anomalies associated with biogenic magnetite, ferritin and haemoglobin are located and identified in an avian tissue model with a pixel resolution {approx} 5 microns. Subsequent studies include brain tissue sections from transgenic Huntington's mice, and the first high-resolution mapping and identification of iron biominerals in human Alzheimer's and control autopsy brain tissue. Technical developments include use of microfocus diffraction to obtain structural information about biominerals in-situ, and depositing sample location grids by lithography for the location of anomalies by conventional microscopy. The combined techniques provide a breakthrough in the study of both intra- and extra-cellular iron compounds and related metals in tissue. The information to be gained from this approach has implications for future diagnosis and treatment of neurodegeneration, and for our understanding of the mechanisms involved.

  14. High-resolution x-ray absorption spectroscopy studies of metal compounds in neurodegenerative brain tissue

    NASA Astrophysics Data System (ADS)

    Collingwood, J. F.; Mikhaylova, A.; Davidson, M. R.; Batich, C.; Streit, W. J.; Eskin, T.; Terry, J.; Barrea, R.; Underhill, R. S.; Dobson, J.

    2005-01-01

    Fluorescence mapping and microfocus X-ray absorption spectroscopy are used to detect, locate and identify iron biominerals and other inorganic metal accumulations in neurodegenerative brain tissue at sub-cellular resolution (<5 microns). Recent progress in developing the technique is reviewed. Synchrotron X-rays are used to map tissue sections for metals of interest, and XANES and XAFS are used to characterise anomalous concentrations of the metals in-situ so that they can be correlated with tissue structures and disease pathology. Iron anomalies associated with biogenic magnetite, ferritin and haemoglobin are located and identified in an avian tissue model with a pixel resolution ~5 microns. Subsequent studies include brain tissue sections from transgenic Huntington's mice, and the first high-resolution mapping and identification of iron biominerals in human Alzheimer's and control autopsy brain tissue. Technical developments include use of microfocus diffraction to obtain structural information about biominerals in-situ, and depositing sample location grids by lithography for the location of anomalies by conventional microscopy. The combined techniques provide a breakthrough in the study of both intra- and extra-cellular iron compounds and related metals in tissue. The information to be gained from this approach has implications for future diagnosis and treatment of neurodegeneration, and for our understanding of the mechanisms involved.

  15. Bioavailability of plant pigment phytochemicals in Angelica keiskei in older adults: A pilot absorption kinetic study

    PubMed Central

    Correa, Camila R; Chen, C-Y. Oliver; Aldini, Giancarlo; Rasmussen, Helen; Ronchi, Carlos F; Berchieri-Ronchi, Carolina; Cho, Soo-Muk; Blumberg, Jeffrey B

    2014-01-01

    BACKGROUND/OBJECTIVES Angelica keiskei is a green leafy vegetable rich in plant pigment phytochemicals such as flavonoids and carotenoids. This study examined bioavailability of flavonoids and carotenoids in Angelica keiskei and the alteration of the antioxidant performance in vivo. SUBJECTS AND MATERIALS Absorption kinetics of phytochemicals in Angelica keiskei were determined in healthy older adults (> 60 y, n = 5) and subjects with metabolic syndrome (n = 5). Subjects consumed 5 g dry Angelica keiskei powder encapsulated in gelatin capsules with a low flavonoid and carotenoid liquid meal. Plasma samples were collected at baseline, 0.5, 1, 2, 3, 4, 5, 6, 7, and 8 h. Samples were analyzed for flavonoids and carotenoids using HPLC systems with electrochemical and UV detection, respectively, and for total antioxidant performance by fluorometry. RESULTS After ingestion of Angelica keiskei increases in plasma quercetin concentrations were observed at 1-3 and 6-8 hr in the healthy group and at all time points in the metabolic syndrome group compared to baseline (P < 0.05). Plasma lutein concentrations were significantly elevated in both the healthy and metabolic syndrome groups at 8 hr (P < 0.05). Significant increases in total antioxidant performance were also observed in both the healthy and the metabolic syndrome groups compared to baseline (P < 0.05). CONCLUSIONS Findings of this study clearly demonstrate the bioavailability of phytonutrients of Angelica keiskei and their ability to increase antioxidant status in humans. PMID:25324936

  16. Experimental study of energy absorption in a close-celled aluminum foam under dynamic loading

    SciTech Connect

    Mukai, T.; Kanahashi, H.; Higashi, K.; Miyoshi, T.; Mabuchi, M.; Nieh, T.G.

    1999-03-19

    Recently, there is a high interest in using light-weight metallic foams (e.g., Al and Mg) for automotive, railway and aerospace applications where weight reduction and improvement in comfort are needed. Metallic foams also have a potential for absorbing impact energy during the crashing of a vehicle either against another vehicle or a pedestrian. To effectively absorb the impact energy, a material is required to exhibit an extended stress plateau. In order to evaluate the impact energy absorption, the relation between the compressive stress and strain at a dynamic strain rate must be characterized. The stress-strain behavior at dynamic strain rates is often characterized by using the split Hopkinson pressure bar (SHPB) method. A previous study suggested that, to evaluate reliably the mechanical properties of cellular materials, the height of a specimen should be ten or twenty times larger than the cell diameter to minimize the scatter of measurements. In the present study, therefore, the authors first determined the minimum height of aluminum foam specimens for compression test at a quasi-static strain rate by comparing the specific yield stress (i.e., yield stress per (relative density){sup 3/2}) of the foam with the other data previously reported. The relative stress of the aluminum foam as a function of relative density was also calculated and compared with those of other aluminum foams, along with the plot of Gibson and Ashby.

  17. Luminescence, absorption and morphology studies of laser-damage sites in silica glasses and coatings

    NASA Astrophysics Data System (ADS)

    Gallais, Laurent; Capoulade, Jeremie; Wagner, Frank; Krol, Helene; Natoli, Jean-Yves; Commandre, Mireille; Kurbanov, Saidislam

    2005-12-01

    The analysis of modifications induced by laser damage in optical materials is important for understanding the damage process. In this work, we study the morphological and structural modifications induced by a nano-second pulsed laser (355 and 1064nm) on fused silica samples (Suprasil, Herasil) and silica thin films (deposited by IP, IAD, EBD, IAD). The morphological changes are analyzed using optical microscopy, optical 3D surface profiler. The absorption modifications are measured by photothermal microscopy with a micronic resolution. Luminescence (excited at 244nm) mappings are also performed on damage sites and the luminescence spectra analyzed. Based on these measurements, we study the different laser damage step that we have identified: initiation by absorbing nanoscale defects, heating of the defect and the surrounding matrix, modification of the surrounding material that becomes absorbing, and macroscopic damage at final. We identify and spatially resolve several kinds of defects induced by catastrophic breakdown and we also discuss the observed structural changes on damage sites, taking into account the physical processes involved.

  18. The mechanism of lowering cholesterol absorption by calcium studied by using an in vitro digestion model.

    PubMed

    Vinarova, Liliya; Vinarov, Zahari; Tcholakova, Slavka; Denkov, Nikolai D; Stoyanov, Simeon; Lips, Alex

    2016-01-01

    Studies in humans show that a calcium-enriched diet leads to lower cholesterol in blood serum. This phenomenon is usually explained in the literature with a reduced cholesterol absorption in the small intestine. Our study aims to clarify the effect of calcium on the solubilisation of cholesterol and fatty acid in the dietary mixed micelles (DMM), viz. on the bioaccessibility of these lipophilic substances in the gut. We use an in vitro digestion model which mimics very closely the intestinal pH-profile and the composition of the intestinal fluids. We quantified the effects of Ca(2+) concentration on the lipid solubilization for fats and oils with different saturated/unsaturated fatty acid (FA) contents. We found that the increase of calcium significantly decreases the solubilization of cholesterol, FA and MG. Most importantly, we observe a clear positive correlation between the amounts of solubilized cholesterol, on one side, and solubilized free fatty acids and monoglycerides, on the other side. The main conclusion is that Ca(2+) ions strongly affect the bioaccessibility of both cholesterol and saturated FA. Therefore, calcium may decrease the serum cholesterol via two complementary mechanisms: (1) fatty acid precipitation by calcium ions reduces the solubilisation capacity of the DMM, thus decreasing the levels of solubilised (bioaccessible) cholesterol; (2) the observed strong decrease of the bioaccessible saturated FA, in its own turn, may suppress the cholesterol synthesis in the liver. PMID:26481461

  19. The mechanism of lowering cholesterol absorption by calcium studied by using an in vitro digestion model.

    PubMed

    Vinarova, Liliya; Vinarov, Zahari; Tcholakova, Slavka; Denkov, Nikolai D; Stoyanov, Simeon; Lips, Alex

    2016-01-01

    Studies in humans show that a calcium-enriched diet leads to lower cholesterol in blood serum. This phenomenon is usually explained in the literature with a reduced cholesterol absorption in the small intestine. Our study aims to clarify the effect of calcium on the solubilisation of cholesterol and fatty acid in the dietary mixed micelles (DMM), viz. on the bioaccessibility of these lipophilic substances in the gut. We use an in vitro digestion model which mimics very closely the intestinal pH-profile and the composition of the intestinal fluids. We quantified the effects of Ca(2+) concentration on the lipid solubilization for fats and oils with different saturated/unsaturated fatty acid (FA) contents. We found that the increase of calcium significantly decreases the solubilization of cholesterol, FA and MG. Most importantly, we observe a clear positive correlation between the amounts of solubilized cholesterol, on one side, and solubilized free fatty acids and monoglycerides, on the other side. The main conclusion is that Ca(2+) ions strongly affect the bioaccessibility of both cholesterol and saturated FA. Therefore, calcium may decrease the serum cholesterol via two complementary mechanisms: (1) fatty acid precipitation by calcium ions reduces the solubilisation capacity of the DMM, thus decreasing the levels of solubilised (bioaccessible) cholesterol; (2) the observed strong decrease of the bioaccessible saturated FA, in its own turn, may suppress the cholesterol synthesis in the liver.

  20. [Study on transdermal absorption of borneol-salicylic acid eutectic mixture].

    PubMed

    Cui, D X; Sugibayashi, K; Morimoto, Y; Li, F L

    1989-01-01

    Borneol is an organic drug having property to form eutectic mixture with salicylic acid. We compared the transdermal absorption rate of borneol alone with that of borneol-salicylic acid eutectic mixture in hairless rats. The results showed that the borneol-salicylic acid eutectic mixture can evidently increase the absorption rate of borneol and provided a method for manufacturing borneol preparation which can easily be absorbed transdermally.

  1. Dependency of magnetic microwave absorption on surface architecture of Co20Ni80 hierarchical structures studied by electron holography

    NASA Astrophysics Data System (ADS)

    Liu, Qinhe; Xu, Xianhui; Xia, Weixing; Che, Renchao; Chen, Chen; Cao, Qi; He, Jingang

    2015-01-01

    To design and fabricate rational surface architecture of individual particles is one of the key factors that affect their magnetic properties and microwave absorption capability, which is still a great challenge. Herein, a series of Co20Ni80 hierarchical structures with different surface morphologies, including flower-, urchin-, ball-, and chain-like morphologies, were obtained using structure-directing templates via a facile one-step solvothermal treatment. The microwave reflection loss (RL) of urchin-like Co20Ni80 hierarchical structures reaches as high as -33.5 dB at 3 GHz, with almost twice the RL intensity of the ball- and chain-like structures, and the absorption bandwidth (<-10 dB) is about 5.5 GHz for the flower-like morphology, indicating that the surface nanospikes and nanoflakes on the Co20Ni80 microsphere surfaces have great influences on their magnetic microwave absorption properties. Electron holography analysis reveals that the surface nanospikes and nanoflakes could generate a high density of stray magnetic flux lines and contribute a large saturation magnetization (105.62 emu g-1 for urchin-like and 96.41 emu g-1 for flower-like morphology), leading the urchin-like and flower-like Co20Ni80 to possess stronger microwave RL compared with the ball-like and chain-like Co20Ni80 alloys. The eddy-current absorption mechanism μ''(μ')-2(f)-1 is dominant in the frequency region above 8 GHz, implying that eddy-current loss is a vital factor for microwave RL in the high frequency range. It can be supposed from our findings that different surface morphologies of magnetic hierarchical structures might become an effective path to achieve high-performance microwave absorption for electromagnetic shielding and stealth camouflage applications.To design and fabricate rational surface architecture of individual particles is one of the key factors that affect their magnetic properties and microwave absorption capability, which is still a great challenge. Herein, a

  2. Toxin Diversity Revealed by a Transcriptomic Study of Ornithoctonus huwena

    PubMed Central

    He, Quanze; Liu, Jinyan; Luo, Ji; Zhu, Li; Lu, Shanshan; Huang, Pengfei; Chen, Xinyi; Zeng, Xiongzhi; Liang, Songping

    2014-01-01

    Spider venom comprises a mixture of compounds with diverse biological activities, which are used to capture prey and defend against predators. The peptide components bind a broad range of cellular targets with high affinity and selectivity, and appear to have remarkable structural diversity. Although spider venoms have been intensively investigated over the past few decades, venomic strategies to date have generally focused on high-abundance peptides. In addition, the lack of complete spider genomes or representative cDNA libraries has presented significant limitations for researchers interested in molecular diversity and understanding the genetic mechanisms of toxin evolution. In the present study, second-generation sequencing technologies, combined with proteomic analysis, were applied to determine the diverse peptide toxins in venom of the Chinese bird spider Ornithoctonus huwena. In total, 626 toxin precursor sequences were retrieved from transcriptomic data. All toxin precursors clustered into 16 gene superfamilies, which included six novel superfamilies and six novel cysteine patterns. A surprisingly high number of hypermutations and fragment insertions/deletions were detected, which accounted for the majority of toxin gene sequences with low-level expression. These mutations contribute to the formation of diverse cysteine patterns and highly variable isoforms. Furthermore, intraspecific venom variability, in combination with variable transcripts and peptide processing, contributes to the hypervariability of toxins in venoms, and associated rapid and adaptive evolution of toxins for prey capture and defense. PMID:24949878

  3. A Trade-Off Study Revealing Nested Timescales of Constraint

    PubMed Central

    Wijnants, M. L.; Cox, R. F. A.; Hasselman, F.; Bosman, A. M. T.; Van Orden, G.

    2012-01-01

    This study investigates human performance in a cyclic Fitts task at three different scales of observation, either in the presence (difficult condition) or in the absence (easy condition) of a speed–accuracy trade-off. At the fastest scale, the harmonicity of the back and forth movements, which reflects the dissipation of mechanical energy, was measured within the timeframe of single trials. At an intermediate scale, speed and accuracy measures were determined over a trial. The slowest scale pertains to the temporal structure of movement variability, which evolves over multiple trials. In the difficult condition, reliable correlations across each of the measures corroborated a coupling of nested scales of performance. Participants who predominantly emphasized the speed-side of the trade-off (despite the instruction to be both fast and accurate) produced more harmonic movements and clearer 1/f scaling in the produced movement time series, but were less accurate and produced more random variability in the produced movement amplitudes (vice versa for more accurate participants). This implied that speed–accuracy trade-off was accompanied by a trade-off between temporal and spatial streams of 1/f scaling, as confirmed by entropy measures. In the easy condition, however, no trade-offs nor couplings among scales of performance were observed. Together, these results suggest that 1/f scaling is more than just a byproduct of cognition. These findings rather support the claim that interaction-dominant dynamics constitute a coordinative basis for goal-directed behavior. PMID:22654760

  4. Study on the interaction of methylene blue with cyclodextrin derivatives by absorption and fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Guomei; Shuang, Shaomin; Dong, Chuan; Pan, Jinghao

    2003-11-01

    The ability of β-cyclodextrin (β-CD), hydroxypropyl-β-cyclodextrin (HP-β-CD), and carboxymethyl-β-cyclodextrin (CM-β-CD) to break the aggregate of the methylene blue (MB) and to form 1:1 inclusion complexes has been studied by absorption and fluorescence spectroscopy. Experimental conditions including concentrations of various cyclodextrins (β-CD, HP-β-CD and CM-β-CD) and media acidity were investigated for the inclusion formation in detail. The formation constants are calculated by using steady-state fluorimetry, from which the inclusion capacity of different cyclodextrins (CDs) is compared. The results suggest that the charged β-cyclodextrin (CM-β-CD) is more suitable for inclusion of the cationic dye MB than the neutral β-cyclodextrins (β-CD, HP-β-CD) at pH>5. A mechanism is proposed which is consistent with the stronger binding of MB with CM-β-CD compared with the other CDs at pH>5.

  5. Ab Initio Study of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon

    NASA Astrophysics Data System (ADS)

    Bernardi, Marco; Vigil-Fowler, Derek; Lischner, Johannes; Neaton, Jeffrey B.; Louie, Steven G.

    2014-06-01

    Hot carrier thermalization is a major source of efficiency loss in solar cells. Because of the subpicosecond time scale and complex physics involved, a microscopic characterization of hot carriers is challenging even for the simplest materials. We develop and apply an ab initio approach based on density functional theory and many-body perturbation theory to investigate hot carriers in semiconductors. Our calculations include electron-electron and electron-phonon interactions, and require no experimental input other than the structure of the material. We apply our approach to study the relaxation time and mean free path of hot carriers in Si, and map the band and k dependence of these quantities. We demonstrate that a hot carrier distribution characteristic of Si under solar illumination thermalizes within 350 fs, in excellent agreement with pump-probe experiments. Our work sheds light on the subpicosecond time scale after sunlight absorption in Si, and constitutes a first step towards ab initio quantification of hot carrier dynamics in materials.

  6. Neutron induced damage in reactor pressure vessel steel: An X-ray absorption fine structure study

    NASA Astrophysics Data System (ADS)

    Kuri, G.; Cammelli, S.; Degueldre, C.; Bertsch, J.; Gavillet, D.

    2009-03-01

    The radiation damage produced in reactor pressure vessel (RPV) steels during neutron irradiation is a long-standing problem of considerable practical interest. In this study, an extended X-ray absorption fine structure (EXAFS) spectroscopy has been applied at Cu, Ni and Mn K-edges to systematically investigate neutron induced radiation damage to the metal-site bcc structure of RPV steels, irradiated with neutrons in the fluence range from 0.85 to 5.0 × 1019 cm-2. An overall similarity of Cu, Ni and Mn atomic environment in the iron matrix is observed. The radial distribution functions (RDFs), derived from EXAFS data have been found to evolve continuously as a function of neutron fluence describing the atomic-scale structural modifications in RPVs by neutron irradiations. From the pristine data, long range order beyond the first- and second-shell is apparent in the RDF spectra. In the irradiated specimens, all near-neighbour peaks are greatly reduced in magnitude, typical of damaged material. Prolonged annealing leads annihilation of point defects to give rise to an increase in the coordination numbers of near-neighbour atomic shells approaching values close to that of non-irradiated material, but does not suppress the formation of nano-sized Cu and/or Ni-rich-precipitates. Total amount of radiation damage under a given irradiation condition has been determined. The average structural parameters estimated from the EXAFS data are presented and discussed.

  7. Aggregation of methylene blue in frozen aqueous solutions studied by absorption spectroscopy.

    PubMed

    Heger, Dominik; Jirkovský, Jaromír; Klán, Petr

    2005-08-01

    The paper presents a qualitative as well as quantitative spectroscopic study of methylene blue (MB) aggregation that occurs upon freezing the aqueous solutions over a wide concentration range. The Gaussian curve analysis and the multivariate curve resolution-alternating least squares method were used to determine the number and concentration of chemical species responsible for the overlaying absorption visible spectra measured. The results show the extent of aggregation for the concentrations above 10(-7) mol L(-1), being dependent on the freezing rate and the initial concentration. While the local concentration of MB at the grain boundaries of polycrystalline ice increased by approximately 3 orders of magnitude upon fast freezing at 77 K compared to the liquid phase, the concentration raised at least by 6 orders of magnitude upon slow freezing at 243 K. Since enhancement of the local concentration of solutes plays an important role in (photo)chemical transformations in solid aqueous media, this work helps to understand how the initial conditions control the course of the process. The results are relevant in other interdisciplinary fields, such as environmental chemistry, cosmochemistry, or geochemistry.

  8. Study of Water Absorption in Raffia vinifera Fibres from Bandjoun, Cameroon

    PubMed Central

    Sikame Tagne, N. R.; Njeugna, E.; Fogue, M.; Drean, J.-Y.; Nzeukou, A.; Fokwa, D.

    2014-01-01

    The study is focused on the water diffusion phenomenon through the Raffia vinifera fibre from the stem. The knowledge on the behavior of those fibres in presence of liquid during the realization of biocomposite, is necessary. The parameters like percentage of water gain at the point of saturation, modelling of the kinetic of water absorption, and the effective diffusion coefficient were the main objectives. Along a stem of raffia, twelve zones of sampling were defined. From Fick's 2nd law of diffusion, a new model was proposed and evaluated compared to four other models at a constant temperature of 23°C. From the proposed model, the effective diffusion coefficient was deduced. The percentage of water gain was in the range of 303–662%. The proposed model fitted better to the experimental data. The estimated diffusion coefficient was evaluated during the initial phase and at the final phase. In any cross section located along the stem of Raffia vinifera, it was found that the effective diffusion coefficient increases from the periphery to the centre during the initial and final phases. PMID:24592199

  9. X-ray absorption structural study of a reversible, photoexcited charge-transfer state

    SciTech Connect

    Chen, L.X.; Bowman, M.K.; Norris, J.R. Univ. of Chicago, IL ); Montano, P.A. )

    1993-05-19

    Electron-transfer reactions can be accompanied by significant nuclear movements. Nuclear motion appears to be especially vital to the reversible, photoinduced charge-transfer chemistry of cyclopentadienylnickel nitrosyl (C[sub 5]H[sub 5]NiNO). Although extended X-ray absorption fine structure (EXAFS) spectroscopy has recorded photoinduced changes in the ligation of myoglobins, similar X-ray studies of electron-transfer chemistry have not been reported. Here we examine reversible, photoinduced structural changes in C[sub 5]H[sub 5]NiNO by EXAFS and propose a mechanism for the electron-transfer chemistry. This work demonstrates that EXAFS can measure distance changes accompanying photoinduced electron transfer to provide new details of the geometry of photoexcited state and suggests that electron transfer occurs in the transient, optically excited states of C[sub 5]H[sub 5]NiNO and C[sub 5]H[sub 5]NiNO[sup CT] as dictated by NO movement that produces either C[sub 5]H[sub 5]NiNO[sup CT] or C[sub 5]H[sub 5]NiNO[sup GS]. 14 refs., 2 figs.

  10. Percutaneous absorption of benzophenone-3 loaded lipid nanoparticles and polymeric nanocapsules: A comparative study.

    PubMed

    Gilbert, E; Roussel, L; Serre, C; Sandouk, R; Salmon, D; Kirilov, P; Haftek, M; Falson, F; Pirot, F

    2016-05-17

    For the last years, the increase of the number of skin cancer cases led to a growing awareness of the need of skin protection against ultraviolet (UV) radiations. Chemical UV filters are widely used into sunscreen formulations as benzophenone-3 (BP-3), a usually used broad spectrum chemical UV filter that has been shown to exercise undesirable effects after topical application. Innovative sunscreen formulations are thus necessary to provide more safety to users. Lipid carriers seem to be a good alternative to formulate chemical UV filters reducing their skin penetration while maintaining good photo-protective abilities. The aim of this work was to compare percutaneous absorption and cutaneous bioavailability of BP-3 loaded into solid lipid nanoparticles (SLN), nanostructured lipid carriers (NLC), nanostructured polymeric lipid carriers (NPLC) and nanocapsules (NC). Particle size, zeta potential and in vitro sun protection factor (SPF) of nanoparticle suspensions were also investigated. Results showed that polymeric lipid carriers, comprising NPLC and NC, significantly reduced BP-3 skin permeation while exhibiting the highest SPF. This study confirms the interesting potential of NPLC and NC to formulate chemical UV filters. PMID:26976501

  11. Adsorption on carbon nanotubes studied using polarization-modulated infrared reflection-absorption spectroscopy.

    PubMed

    Bermudez, V M

    2005-05-26

    Single-wall carbon nanotubes (SWNTs), deposited onto an Al substrate from a liquid suspension, have been cleaned by annealing in ultrahigh vacuum. The effects of exposing the sample in situ to atomic H (or D) and/or to dimethyl methylphosphonate [DMMP, (CH(3)O)(2)(CH(3))P=O] were then studied using polarization-modulated infrared reflection-absorption spectroscopy. Atomic H reacts preferentially near strained or defective regions in the nanotube wall to produce a spectrum consistent with alkane-like species (>CH(2) and -CH(3)). Only a small fraction of the >C=C< sites in the nanotube wall react with H, and there is no clear evidence for monohydride >C(H)-C(H)< species. For DMMP, data were obtained under steady-state conditions in reagent pressures in excess of half the room-temperature vapor pressure. Adsorption occurs via the P=O group with a coverage that depends on the ambient pressure. Varying the DMMP coverage by changing the pressure causes changes in the spectrum that can be related to the strength of the DMMP/SWNT interaction. Preadsorbed H is seen to have little or no effect on the subsequent adsorption of DMMP. For DMMP, the molecular features are superimposed on a broad, smoothly varying background that can be related to adsorption-induced changes in the Drude parameters characterizing the SWNT free-carrier density and scattering lifetime.

  12. Intranasal absorption of rizatriptan--in vivo pharmacokinetics and bioavailability study in humans.

    PubMed

    Chen, J; Jiang, X G; Jiang, W M; Gao, X L; Mei, N

    2005-01-01

    Rizatriptan nasal spray was developed to achieve fast a high effectiveness and to overcome limitations associated with oral formulation. The objective of this study was to investigate the pharmacokinetics and tolerability of a rizatriptan nasal spray compared with an oral formulation in a two treatments, two periods, randomized crossover design. At each phase, each subject received 5 mg rizatriptan as a nasal spray or an oral tablet. Plasma concentrations of rizatriptan were determined by HPLC. Rizatriptan was absorbed more rapidly following nasal spray with detectable plasma concentrations 5 min after dosing. There was no statistically significant difference for AUC or Cmax values between the nasal spray and the oral tablet. The relative bioavailability of nasal formulation to oral formulation was 96%+/-16%. All the formulations were well tolerated and adverse events were generally of short duration and of mild intensity. Thus, rizatriptan nasal spray offers more rapidly absorption compared to the oral route, which may be particularly beneficial to those patients who have gastrointestinal disturbances during their migraine attack or who have difficulty in swallowing a tablet. PMID:15702515

  13. Comparative study of the intestinal absorption of three salts of calcium in young and elderly women.

    PubMed

    Praet, J P; Peretz, A; Mets, T; Rozenberg, S

    1998-04-01

    A daily ingestion of 1000 to 1500 mg elemental calcium associated with vitamin D supplement is presently considered to be the adequate and least expensive therapy for senile osteoporosis. There exists only scarce data about calcium absorption with available calcium salts in elderly patients. We have compared the digestive absorption of calcium (Ca) citrate in soluble and solid form and calcium gluconolactate-carbonate in 15 young and 20 elderly, healthy women using the oral calcium loading test. The subjects were divided into two groups. In the first group, the absorption of solid Ca citrate (1000 mg Ca element) was compared to the absorption of Ca gluconolactate-carbonate (1000 mg Ca element) both in young (n = 7) and elderly women (n = 10). In the second group, the absorption of soluble Ca citrate (1000 mg Ca element) was compared to the absorption of Ca gluconolactate-carbonate (1000 mg Ca element) in young (n = 8) and elderly (n = 10) women. In the preload phase, basal calciuria was increased in elderly women (p < 0.01) although basal calcemia was similar in young and elderly women. After oral administration of the calcium salts, an increase in plasma Ca was observed in both groups which was greater for soluble Ca citrate and Ca gluconolactate than for solid Ca citrate. In young women, the increase in plasma calcium was significantly higher with soluble Ca citrate compared to Ca gluconolactate (p < 0.05). In elderly women, the postload calciuria was significantly higher for soluble Ca citrate (p < 0.05) and Ca gluconolactate (p < 0.05) compared to solid Ca citrate. A similar pattern was observed in young women, although it was not significant. In conclusion, an oral load of 1000 mg soluble Ca citrate and Ca gluconolactate-carbonate induces significant biochemical changes suggesting a better digestive absorption compared to Ca citrate in solid form, both in young and elderly women. We did not observe different response, between young and old patients. PMID

  14. Pressure influence on the structural characteristics of modified absorptive glass mat separators: A standard contact porosimetry study

    NASA Astrophysics Data System (ADS)

    Burashnikova, M. M.; Khramkova, T. S.; Kazarinov, I. A.; Shmakov, S. L.

    2015-09-01

    The article presents a comparative analysis of the structural characteristics of absorptive glass mats manufactured by "Hollingsworth & Vose" (a 2.8 mm thickness) and "Bernard Dumas" (a 3.0 mm thickness) modified by impregnation with polymeric emulsions based on polyvinylidene fluoride, a polyvinylpyrrolidone styrene copolymer, and polytetrafluoroethylene, by means of standard contact porosimetry. The key study is influence of features of the porous structure on the compression properties, the rate of wicking, and the oxygen cycle efficiency in lead-acid battery mock-ups under several plate-group compression pressures. It is found that the treatment of the absorptive glass mat separators with polymeric emulsions leads to redistribution of their pores by size. An increased pressure in the electrode unit insignificantly changes the pore structure of the modified absorptive glass mat separators, and the oxygen cycle efficiency rises in comparison with unmodified separators.

  15. A study on absorption of Na atoms on Si(100) 2×1 surfaces with DV-Xα method

    NASA Astrophysics Data System (ADS)

    Shi-hong, Xu; Peng-shou, Xu; Jia, Li; Mao-sheng, Ma; Yu-heng, Zhang; Zhen-jia, Xu

    1993-10-01

    The Na absorption on Si(100) 2×1 surface is studied with quantum chemistry molecular cluster method. The calculated results show that the most favourable absorption site of Na is the cave site and the charge transfer of Na atom to Si is large when the Na coverage is smaller than 0.5 monolayer (ML). A Na chain is formed along the cave sites at the 0.5 ML Na coverage, the charge transfer then becomes small. The calculated density of states show that the Na atoms are metallic along the chain. At 1 ML coverage, the Na atoms occupy both the cave and pedestal sites and form a double-layer. There is a charge transfer of 0.5e from each Na atom to the Si surface. The calculated surface energy shows that the saturation absorption of Na on Si surface is 1 ML.

  16. Laboratory studies at high resolution of the infrared absorption spectra of a number of gases found in planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Hunt, R. H.

    1983-01-01

    The infrared absorption spectra of a number of gases found in planetary atmospheres were studied at high resolution. Absorption line measurements which can be of value for the interpretation of planetary spectra in terms of molecular abundances and conditions in the planetary atmospheres were provided. The high resolution spectra have yielded measurements of individual vibration rotation line parameters including positions, strengths, pressure broadened widths and, where assignments were unknown, the temperature sensitivity of the strengths. Such information allows the determinations of the absorption of a given molecular gas under planetary conditions of temperature and pressure and at the same time it provides the data necessary if the spectra are to be understood in terms of basic molecular theory. Thus this work has included spectral analysis in the form of line assignments as well as fitting of the data to Hamiltonian models. Such fitting is very useful in that it helps to confirm and extend the assignments.

  17. A doubly curved elliptical crystal spectrometer for the study of localized x-ray absorption in hot plasmas

    SciTech Connect

    Cahill, Adam D. Hoyt, Cad L.; Pikuz, Sergei A.; Shelkovenko, Tania; Hammer, David A.

    2014-10-15

    X-ray absorption spectroscopy is a powerful tool for the diagnosis of plasmas over a wide range of both temperature and density. However, such a measurement is often limited to probing plasmas with temperatures well below that of the x-ray source in order to avoid object plasma emission lines from obscuring important features of the absorption spectrum. This has excluded many plasmas from being investigated by this technique. We have developed an x-ray spectrometer that provides the ability to record absorption spectra from higher temperature plasmas than the usual approach allows without the risk of data contamination by line radiation emitted by the plasma under study. This is accomplished using a doubly curved mica crystal which is bent both elliptically and cylindrically. We present here the foundational work in the design and development of this spectrometer along with initial results obtained with an aluminum x-pinch as the object plasma.

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

    NASA Astrophysics Data System (ADS)

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

    2012-01-01

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

  19. Nonlinear intersubband absorption of a hot quasi-two-dimensional electron plasma studied by femtosecond infrared spectroscopy

    SciTech Connect

    Lutgen, S.; Kaindl, R.A.; Woerner, M.; Elsaesser, T.; Hase, A.; Kuenzel, H.

    1996-12-01

    The transient ({ital n}=1) to ({ital n}=2) intersubband absorption of a pure electron plasma in {ital n}-type Ga{sub 0.48}In{sub 0.53}As/Al{sub 0.48}In{sub 0.52}As quantum wells is studied in femtosecond pump-probe experiments. The ultrafast dynamics of nonlinear absorption shows strong changes when tuning the midinfrared pulses over the intersubband absorption line. The nonlinear optical response is determined by both intersubband relaxation with a time constant of 1.3 ps and the intraband dynamics of ({ital n}=1) electrons, which are monitored in an independent experiment. {copyright} {ital 1996 The American Physical Society.}

  20. Z-scanning under monochromatic laser pumping: a study of saturatable absorption in a suspension of multiwalled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Mikheev, G. M.; Krivenkov, R. Yu; Mikheev, K. G.; Okotrub, A. V.; Mogileva, T. N.

    2016-08-01

    A system has been developed and designed based on a single-mode single-frequency passive Q-switched pulsed YAG : Nd3+ laser to investigate with high accuracy the nonlinear optical properties of a liquid placed in an optical cell with uncoated input windows. The efficiency of this system is demonstrated by examples of studying the saturable absorption of an aqueous suspension of multiwalled carbon nanotubes and the nonlinear absorption of a colour glass filter ZhS18 at a wavelength of 532 nm.

  1. High-speed laser-induced fluorescence and spark plug absorption sensor diagnostics for mixing and combustion studies in engines

    SciTech Connect

    Cundy, Michael; Schucht, Torsten; Thiele, Olaf; Sick, Volker

    2009-02-01

    Simultaneous high-speed in-cylinder measurements of laser-induced fluorescence of biacetyl as a fuel tracer and mid-infrared broadband absorption of fuel and combustion products (water and carbon dioxide) using a spark plug probe are compared in an optical engine. The study addresses uncertainties and the applicability of absorption measurements at a location slightly offset to the spark plug when information about mixing at the spark plug is desired. Absorbance profiles reflect important engine operation events, such as valve opening and closing, mixing, combustion, and outgassing from crevices.

  2. Effects of xylitol on carbohydrate digesting enzymes activity, intestinal glucose absorption and muscle glucose uptake: a multi-mode study.

    PubMed

    Chukwuma, Chika Ifeanyi; Islam, Md Shahidul

    2015-03-01

    The present study investigated the possible mechanism(s) behind the effects of xylitol on carbohydrate digesting enzymes activity, muscle glucose uptake and intestinal glucose absorption using in vitro, ex vivo and in vivo experimental models. The effects of increasing concentrations of xylitol (2.5%-40% or 164.31 mM-2628.99 mM) on alpha amylase and alpha glucosidase activity in vitro and intestinal glucose absorption and muscle glucose uptake were investigated under ex vivo conditions. Additionally, the effects of an oral bolus dose of xylitol (1 g per kg BW) on gastric emptying and intestinal glucose absorption and digesta transit in the different segments of the intestinal tract were investigated in normal and type 2 diabetic rats at 1 hour after dose administration, when phenol red was used as a recovery marker. Xylitol exhibited concentration-dependent inhibition of alpha amylase (IC₅₀ = 1364.04 mM) and alpha glucosidase (IC₅₀ = 1127.52 mM) activity in vitro and small intestinal glucose absorption under ex vivo condition. Xylitol also increased dose dependent muscle glucose uptake with and without insulin, although the uptake was not significantly affected by the addition of insulin. Oral single bolus dose of xylitol significantly delayed gastric emptying, inhibited intestinal glucose absorption but increased the intestinal digesta transit rate in both normal and diabetic rats compared to their respective controls. The data of this study suggest that xylitol reduces intestinal glucose absorption via inhibiting major carbohydrate digesting enzymes, slowing gastric emptying and fastening the intestinal transit rate, but increases muscle glucose uptake in normal and type 2 diabetic rats.

  3. [Study on removing the lamp spectrum structure in differential optical absorption spectroscopy].

    PubMed

    Qu, Xiao-ying; Li, Yu-jin

    2010-11-01

    Differential optical absorption spectroscopy (DOAS) technique has been used to measure trace gases in the atmosphere by their strongly structured absorption of radiation in the UV and visible spectral range, and nowadays this technique has been widely utilized to measure trace polluted gases in the atmosphere e.g. SO2, NO2, O3, HCHO, etc. However, there exists lamp (xenon lamp or deuteriumlamp) spectrum structure in the measured band (300-700 nm) of the absorption spectra of atmosphere, which badly impacts on precision of retrieving the concentration of trace gases in the atmosphere. People home and abroad generally employ two ways to handle this problem, one is segmenting band retrieving method, another is remedial retrieving method. In the present paper, a new retrieving method to deal with this trouble is introduced. The authors used moving-window average smoothing method to obtain the slow part of the absorption spectra of atmosphere, then achieved the lamp (xenon lamp in the paper) spectrum structure in the measured band of the absorption spectra of atmosphere. The authors analyzed and retrieved the measured spectrum of the atmosphere, and the result is better than the forenamed ways. Chi-square of residuum is 2.995 x 10(-4), and this method was proved to be able to avoid shortcoming of choosing narrowband and disadvantage of discovering the new component of atmosphere in retrieving the concentration of air pollutants and measuring the air pollutants. PMID:21284148

  4. Study on Coloration Mechanism of Chinese Ancient Ceramics by X-ray Absorption Near-edge Structure

    NASA Astrophysics Data System (ADS)

    Peng, Y. H.; Xie, Z.; He, J. F.; Liu, Q. H.; Pan, Z. Y.; Cheng, W. R.; Wei, S. Q.

    2013-04-01

    The Fe K-edge X-ray absorption near-edge structure (XANES) spectra of a series of ceramic shards were measured by fluorescence mode to reveal the color-generating techniques of Chinese porcelain. The analysis disclosed relationships among the chemical form of the iron, the firing conditions and the colors of the ceramics. The results indicate that the coloration for different ceramics depend on the valence states of iron as the main color element in glaze and the proportion of Fe2+ and Fe3+ was attributed to the baking technology. The findings provide important information for archaeologist on the coloration researches.

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

    PubMed

    Banerjee, Shrabanti; Bhattacharya, Sumanta; Basu, Sukalyan

    2005-04-01

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

  6. A surface extended X-ray absorption fine structure study of tellurium adsorbed onto Si(100)

    NASA Astrophysics Data System (ADS)

    Burgess, S. R.; Cowie, B. C. C.; Wilks, S. P.; Dunstan, P. R.; Dunscombe, C. J.; Williams, R. H.

    1996-09-01

    The adsorption of tellurium on Si(100) has been studied using surface extended X-ray adsorption fine structure (SEXAFS) and X-ray standing wave spectroscopy (XSW). This particular system is of interest due to its potential applicability in the surfactant aided growth of CdHgTeCdTeSi(100) based infra-red detectors. The Te/Si(100) structure was generated by depositing a thick layer (˜ 100 Å) of CdTe onto a clean Si (2 × 1) double domain surface, and annealing the sample to 350°C. This resulted is a ˜ 1 ML Te terminated surface where the (2 × 1) reconstruction was lost in favour of a (1 × 1) symmetry. X-ray absorption of the Te L 3 edge ( E = 4341 eV), with a photon energy range of 4440-4700 eV, was probed using a total yield detection scheme. The SEXAFS results indicated that the Te atoms sat in 2-fold bridge sites directly above a fourth layer Si atom. The corresponding bond length was measured to be 2.52 ± 0.05 Å. The XSW measurements of the (400) reflection gave a coherent position of 1.63 ± 0.03 Å and a coherent fraction of 0.65. This is consistent with the breaking of the SiSi dimers and thus could be an example of the phenomena of adsorbate-induced dereconstruction of the surface. These results are compared with those of Bennet et al. who examined a similar system using soft X-ray photoemission (SXPS) and the STM study of Yoshikawa et al.

  7. Absorption spectra of PTCDI: A combined UV-Vis and TD-DFT study

    NASA Astrophysics Data System (ADS)

    Oltean, Mircea; Calborean, Adrian; Mile, George; Vidrighin, Mihai; Iosin, Monica; Leopold, Loredana; Maniu, Dana; Leopold, Nicolae; Chiş, Vasile

    2012-11-01

    Absorption spectra of PTCDI (3,4,9,10-perylene-tetracarboxylic-diimide) have been investigated in chloroform, N,N'-dimethylformamide (DMF) and dimethylsulfoxide (DMSO). While no signature of assembled PTCDI molecules is observed in chloroform solution, distinct bands assigned to their aggregation have been identified in DMF and DMSO solutions. PTCDI monomers show very similar absorption patterns in chloroform and DMSO solutions. Experimental data, including the vibronic structure of the absorption spectra were explained based on the Franck-Condon approximation and quantum chemical results obtained at PBE0-DCP/6-31+G(d,p) level of theory. Geometry optimization of the first excited state leads to a nice agreement between the calculated adiabatic transition energies and experimental data.

  8. Analysis of Intra- and Intersubject Variability in Oral Drug Absorption in Human Bioequivalence Studies of 113 Generic Products.

    PubMed

    Sugihara, Masahisa; Takeuchi, Susumu; Sugita, Masaru; Higaki, Kazutaka; Kataoka, Makoto; Yamashita, Shinji

    2015-12-01

    In this study, the data of 113 human bioequivalence (BE) studies of immediate release (IR) formulations of 74 active pharmaceutical ingredients (APIs) conducted at Sawai Pharmaceutical Co., Ltd., was analyzed to understand the factors affecting intra- and intersubject variabilities in oral drug absorption. The ANOVA CV (%) calculated from area under the time-concentration curve (AUC) in each BE study was used as an index of intrasubject variability (Vintra), and the relative standard deviation (%) in AUC was used as that of intersubject variability (Vinter). Although no significant correlation was observed between Vintra and Vinter of all drugs, Vintra of class 3 drugs was found to increase in association with a decrease in drug permeability (P(eff)). Since the absorption of class 3 drugs was rate-limited by the permeability, it was suggested that, for such drugs, the low P(eff) might be a risk factor to cause a large intrasubject variability. To consider the impact of poor water solubility on the variability in BE study, a parameter of P(eff)/Do (Do; dose number) was defined to discriminate the solubility-limited and dissolution-rate-limited absorption of class 2 drugs. It was found that the class 2 drugs with a solubility-limited absorption (P(eff)/Do < 0.149 × 10(-4) cm/s) showed high intrasubject variability. Furthermore, as a reason for high intra- or intersubject variability in AUC for class 1 drugs, effects of drug metabolizing enzymes were investigated. It was demonstrated that intrasubject variability was high for drugs metabolized by CYP3A4 while intersubject variability was high for drugs metabolized by CYP2D6. For CYP3A4 substrate drugs, the Km value showed the significant relation with Vintra, indicating that the affinity to the enzyme can be a parameter to predict the risk of high intrasubject variability. In conclusion, by analyzing the in house data of human BE study, low permeability, solubility-limited absorption, and high affinity to CYP3A4 are

  9. [Effects of long-term fertilization on organic carbon functional groups in black soil as revealed by synchrotron radiation soft X-ray near-edge absorption spectroscopy].

    PubMed

    Wang, Nan; Wang, Shuai; Wang, Qing-He; Dong, Pei-Bo; Li, Cui-Lan; Zhang, Jin-Jing; Gao, Qiang; Zhao, Yi-Dong

    2012-10-01

    A 20 years (1984-2004) stationary field experiment was conducted to evaluate the effects of long-term application of chemical fertilizers (N or NPK) alone or in combination with low (0.125 kg x hm(-2)) or high dose of corn stalk (0.25 kg x hm(-2)) on organic carbon functional groups in black soil using synchrotron radiation soft X-ray near-edge absorption spectroscopy (C-1s NEXAFS). Compared with the control (CK) treatment, the aromatic C and the carboxyl C of soil increased, whereas the aliphatic C, the carbonyl C and the aliphatic C/aromatic C ratio decreased after the application of chemical fertilizer alone. After the application of chemical fertilizations in combined with corn stalk, the aromatic C decreased while the aliphatic C and the aliphatic C/aromatic C ratio increased as compared to N or NPK fertilizer treatment. And the change tendency was more obvious with the increase in the dose of corn stalk applied. Regardless of corn stalk application, the aromatic C, the aliphatic C, and the aliphatic C/aromatic C ratio were all higher for NPK than for N fertilizer treatment. The above results indicated that, compared with the no-fertilizer control treatment, the application of chemical fertilizers alone resulted in the relative proportion of aromatic compounds increased whereas that of aliphatic hydrocarbon compounds decreased. On the other hand, the relative proportion of the aliphatic hydrocarbon compounds was higher after the application of chemical fertilizers with than without corn stalk, with high than with low dose of corn stalk, and with NPK than with N fertilization. C-1s NEXAFS spectroscopy could characterize in situ the changes of organic carbon functional groups in soil under long-term stationary fertilization.

  10. NuSTAR reveals an intrinsically X-ray weak broad absorption line quasar in the ultraluminous infrared galaxy Markarian 231

    SciTech Connect

    Teng, Stacy H.; Rigby, J. R.; Brandt, W. N.; Luo, B.; Harrison, F. A.; Grefenstette, B. W.; Madsen, K. K.; Alexander, D. M.; Gandhi, P.; Bauer, F. E.; Boggs, S. E.; Craig, W. W.; Christensen, F. E.; Comastri, A.; Fabian, A. C.; Farrah, D.; Fiore, F.; Hailey, C. J.; Hickox, R. C.; Ptak, A. F.; and others

    2014-04-10

    We present high-energy (3-30 keV) NuSTAR observations of the nearest quasar, the ultraluminous infrared galaxy (ULIRG) Markarian 231 (Mrk 231), supplemented with new and simultaneous low-energy (0.5-8 keV) data from Chandra. The source was detected, though at much fainter levels than previously reported, likely due to contamination in the large apertures of previous non-focusing hard X-ray telescopes. The full band (0.5-30 keV) X-ray spectrum suggests the active galactic nucleus (AGN) in Mrk 231 is absorbed by a patchy and Compton-thin (N{sub H}∼1.2{sub −0.3}{sup +0.3}×10{sup 23} cm{sup –2}) column. The intrinsic X-ray luminosity (L {sub 0.5–30} {sub keV} ∼ 1.0 × 10{sup 43} erg s{sup –1}) is extremely weak relative to the bolometric luminosity where the 2-10 keV to bolometric luminosity ratio is ∼0.03% compared to the typical values of 2%-15%. Additionally, Mrk 231 has a low X-ray-to-optical power law slope (α{sub OX} ∼ –1.7). It is a local example of a low-ionization broad absorption line quasar that is intrinsically X-ray weak. The weak ionizing continuum may explain the lack of mid-infrared [O IV], [Ne V], and [Ne VI] fine-structure emission lines which are present in sources with otherwise similar AGN properties. We argue that the intrinsic X-ray weakness may be a result of the super-Eddington accretion occurring in the nucleus of this ULIRG, and may also be naturally related to the powerful wind event seen in Mrk 231, a merger remnant escaping from its dusty cocoon.

  11. Time-resolved circular dichroism and absorption studies of the photolysis reaction of (carbonmonoxy)myoglobin.

    PubMed Central

    Milder, S J; Bjorling, S C; Kuntz, I D; Kliger, D S

    1988-01-01

    Time-resolved circular dichroism (TRCD) and absorption spectroscopy are used to follow the photolysis reaction of (carbonmonoxy)myoglobin (MbCO). Following the spectral changes associated with the initial loss of CO, a subtle change is observed in the visible absorption spectrum of the Mb product on a time scale of a few hundred nanoseconds. No changes are seen in the CD spectrum of Mb in the visible and near-UV regions subsequent to the loss of CO. The data suggest the existence of an intermediate found after ligand loss from MbCO that is similar in structure to the final Mb product. PMID:3390516

  12. UV absorption study of collisional energy transfer in vibrationally highly excited SO/sub 2/ molecules

    SciTech Connect

    Heymann, M.; Hippler, H.; Nahr, D.; Plach, H.J.; Troe, J.

    1988-09-22

    Transient UV absorption spectra after UV laser excitation of SO/sub 2/ were recorded and analyzed with respect to collisional energy transfer. Byuse of previously determined calibration curves, the absorption-time signals were converted into average energy-number of collision profiles. Energy-dependent average energies transferred per collision (..delta..E) were derived for 22 different collision partners. The temperature dependence of (..delta..E) was determined over the range 300-1500 K by experiments in a CO/sub 2/ CW laser-heated reactor and in shock waves.

  13. Inclusion of riboflavin in β-cyclodextrin: A fluorimetric and absorption spectrometric study

    NASA Astrophysics Data System (ADS)

    Roy, Dalim Kumar; Deb, Nipamanjari; Ghosh, Bankim Chandra; Mukherjee, Asok K.

    2009-07-01

    Formation of inclusion complexes between riboflavin and β-cyclodextrin (β-CD) with both 1:1 and 1:2 stoichiometry has been established by fluorimetric titration. However, in absorption spectrometric experiment, spectral change of riboflavin in the visible range could be observed only by taking β-CD at a much higher concentration (about 100 times) than riboflavin and under such condition only 1:2 complexes could be detected. Its formation constant ( K) was determined by a multiple linear regression analysis of the absorption data. The reliability of the K value was confirmed by the consistency achieved on analyzing the data at two different wavelengths.

  14. Towards further understanding of stacking fault tetrahedron absorption and defect-free channels - A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Fan, Haidong; El-Awady, Jaafar A.; Wang, Qingyuan

    2015-03-01

    The mechanisms leading to stacking fault tetrahedron (SFT) absorption via interactions with dislocations, and subsequent formation of plastic flow localization in defect-free channels, which were frequently observed in irradiated materials in transmission electron microscopy experiments, are still unclear. To address this, screw dislocation interactions with SFTs in copper were investigated using molecular dynamics (MD) simulations. The interaction details reveal that a screw dislocation can fully absorb an SFT through the thermally activated transformation of Lomer-Cottrell lock into Lomer dislocations. After absorption, almost all the vacancies in the SFT are transferred into Lomer dislocations, which are able to move transversely under complex loading conditions. As a result, SFTs can be removed from the material (for SFTs near surface) or from defect-free channels (for SFTs in the bulk) with the aid of Lomer dislocations. In addition, it was shown that this absorption process is favorable only at high temperature, low applied shear stress and/or high SFT density. These results are in good agreement with in situ TEM observations. The current simulations and analyses provide useful insights into the formation mechanisms of defect-free channels in irradiated materials.

  15. Determination and interference studies of bismuth by tungsten trap hydride generation atomic absorption spectrometry.

    PubMed

    Kula, Ibrahim; Arslan, Yasin; Bakirdere, Sezgin; Titretir, Serap; Kendüzler, Erdal; Ataman, O Yavuz

    2009-11-15

    The determination of bismuth requires sufficiently sensitive procedures for detection at the microg L(-1) level or lower. W-coil was used for on-line trapping of volatile bismuth species using HGAAS (hydride generation atomic absorption spectrometry); atom trapping using a W-coil consists of three steps. Initially BiH(3) gas is formed by hydride generation procedure. The analyte species in vapor form are transported through the W-coil trap held at 289 degrees C where trapping takes place. Following the preconcentration step, the W-coil is heated to 1348 degrees C; analyte species are released and transported to flame-heated quartz atom cell where the atomic signal is formed. In our study, interferences have been investigated in detail during Bi determination by hydride generation, both with and without trap in the same HGAAS system. Interferent/analyte (mass/mass) ratio was kept at 1, 10 and 100. Experiments were designed for carrier solutions having 1.0M HNO(3). Interferents such as Fe, Mn, Zn, Ni, Cu, As, Se, Cd, Pb, Au, Na, Mg, Ca, chloride, sulfate and phosphate were examined. The calibration plot for an 8.0 mL sampling volume was linear between 0.10 microg L(-1) and 10.0 microg L(-1) of Bi. The detection limit (3s/m) was 25 ng L(-1). The enhancement factor for the characteristic concentration (C(o)) was found to be 21 when compared with the regular system without trap, by using peak height values. The validation of the procedure was performed by the analysis of the certified water reference material and the result was found to be in good agreement with the certified values at the 95% confidence level.

  16. X-ray absorption and electrochemical studies of direct methanol fuel cell catalysts

    SciTech Connect

    Zurawski, D.J.; Aldykiewicz, A.J. Jr.; Baxter, S.F.; Krumpelt, M.

    1996-12-31

    In order for polymer electrolyte fuel cells to operate directly on methanol instead of hydrogen, a distinct advantage for portable applications, methanol oxidation must be catalyzed effectively in the acidic environment of the cell. Platinum-ruthenium and platinum-ruthenium oxide are generally considered to be the most active catalysts for this purpose. The presence of ruthenium significantly enhances the activity of platinum in these catalysts, for reasons not yet fully understood. We are using X-ray absorption spectroscopy (XAS) and electrochemical techniques to evaluate the mechanisms proposed to account for this enhancement in order to further improve the catalyst`s activity. We are considering three enhancement mechanisms. An intermediate in the oxidation of methanol on platinum is carbon monoxide and its oxidation is the rate-determining step in the overall oxidation mechanism. It has been proposed that ruthenium facilitates the removal of carbon monoxide from the platinum surface. First, it has been proposed that ruthenium decreases the strength of the platinum-carbon monoxide bond. Carbon monoxide bonds to the catalyst by interacting with the d-band of platinum, therefore a change in the d-band occupancy of platinum as a result of alloying may influence the bond strength of carbon monoxide. Another proposed enhancement mechanism involves lowering of the potential for the formation of the CO-oxidizing species. Finally, the binary catalysts may have a structure which is more conducive to the methanol dehydrogenation and carbon monoxide reactions. Based on these three proposed enhancement mechanisms, a goal of this study is to correlate catalyst electronic properties, structure, and oxidation state with the performance of proton-exchange membrane (Nafion) direct methanol fuel cells.

  17. Anion Effects on Interfacial Absorption of Gases in Ionic Liquids. A Molecular Dynamics Study

    SciTech Connect

    Wick, Collin D.; Dang, Liem X.

    2011-06-02

    Molecular dynamics simulations with many-body interactions were carried out to systematic study the effect of anion type, tetrafluoroborate [BF4] or hexafluorophosphate [PF6], paired with the cation 1-butyl-3-methylimidazolium [bmim], on the interfacial absorption of gases in room temperature ionic liquids (RTILs). The potentials of mean force (PMF) of CO2 and H2O at 350 K were calculated across the air-liquid interfaces of [bmim][BF4] and [bmim][PF6]. We found that the PMFs for H2O exhibited no interfacial minima at both interfaces, while the corresponding PMFs for CO2 had significant free energy minima there. However, the PMFs for H2O showed a much higher interfacial free energy than in the bulk for [bmim][BF4], but only a slightly higher interfacial free energy for [bmim][PF6] than in bulk. The reason for this was due to the more hydrophilic nature of the [BF4] anion, and the fact that [BF4] was found to have little propensity for the interface. Our results show that H2O is much more likely to be found at the air-[bmim][PF6] interface than at the air-[bmim][BF4] interface. The free energies of solvation were found to be more negative for [bmim][BF4] than [bmim][PF6] for water and similar for CO2. This observation is consistent with experimental Henry’s law coefficients. Our results show that anion type, in addition to affecting the free energy of solvation into RTILs, should also significantly influence the uptake mechanism. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  18. Comparative Characterization Study of a LaBr3(Ce) Scintillation Crystal in Two Surface Wrapping Scenarios: Absorptive and Reflective

    PubMed Central

    Aldawood, Saad; Castelhano, Ines; Gernhäuser, Roman; Van Der Kolff, Hugh; Lang, Christian; Liprandi, Silvia; Lutter, Rudolf; Maier, Ludwig; Marinšek, Tim; Schaart, Dennis R.; Parodi, Katia; Thirolf, Peter G.

    2015-01-01

    The properties of a 50 mm × 50 mm × 30 mm monolithic LaBr3:Ce scintillator crystal coupled to a position-sensitive multi-anode photomultiplier (PMT, Hamamatsu H9500), representing the absorbing detector of a Compton camera under study for online ion (proton) beam range verification in hadron therapy, was evaluated in combination with either absorptive or reflective crystal surface coating. This study covered an assessment of the energy and position-dependent energy resolution, exhibiting a factor of 2.5–3.5 improvement for the reflectively wrapped crystal at 662 keV. The spatial dependency was investigated using a collimated 137Cs source, showing a steep degradation of the energy resolution at the edges and corners of the absorptively wrapped crystal. Furthermore, the time resolution was determined to be 273 ps (FWHM) and 536 ps (FWHM) with reflective and absorptive coating, respectively, using a 60Co source. In contrast, the light spread function (LSF) of the light amplitude distribution on the PMT segments improved for the absorptively wrapped detector. Both wrapping modalities showed almost no differences in the energy-dependent photopeak detection efficiency. PMID:26697405

  19. Comparative Characterization Study of a LaBr3(Ce) Scintillation Crystal in Two Surface Wrapping Scenarios: Absorptive and Reflective.

    PubMed

    Aldawood, Saad; Castelhano, Ines; Gernhäuser, Roman; Van Der Kolff, Hugh; Lang, Christian; Liprandi, Silvia; Lutter, Rudolf; Maier, Ludwig; Marinšek, Tim; Schaart, Dennis R; Parodi, Katia; Thirolf, Peter G

    2015-01-01

    The properties of a 50 mm × 50 mm × 30 mm monolithic LaBr3:Ce scintillator crystal coupled to a position-sensitive multi-anode photomultiplier (PMT, Hamamatsu H9500), representing the absorbing detector of a Compton camera under study for online ion (proton) beam range verification in hadron therapy, was evaluated in combination with either absorptive or reflective crystal surface coating. This study covered an assessment of the energy and position-dependent energy resolution, exhibiting a factor of 2.5-3.5 improvement for the reflectively wrapped crystal at 662 keV. The spatial dependency was investigated using a collimated (137)Cs source, showing a steep degradation of the energy resolution at the edges and corners of the absorptively wrapped crystal. Furthermore, the time resolution was determined to be 273 ps (FWHM) and 536 ps (FWHM) with reflective and absorptive coating, respectively, using a (60)Co source. In contrast, the light spread function (LSF) of the light amplitude distribution on the PMT segments improved for the absorptively wrapped detector. Both wrapping modalities showed almost no differences in the energy-dependent photopeak detection efficiency. PMID:26697405

  20. Assessment of an extended dataset of in vitro human dermal absorption studies on pesticides to determine default values, opportunities for read-across and influence of dilution on absorption.

    PubMed

    Aggarwal, M; Fisher, P; Hüser, A; Kluxen, F M; Parr-Dobrzanski, R; Soufi, M; Strupp, C; Wiemann, C; Billington, R

    2015-06-01

    Dermal absorption is a key parameter in non-dietary human safety assessments for agrochemicals. Conservative default values and other criteria in the EFSA guidance have substantially increased generation of product-specific in vitro data and in some cases, in vivo data. Therefore, data from 190 GLP- and OECD guideline-compliant human in vitro dermal absorption studies were published, suggesting EFSA defaults and criteria should be revised (Aggarwal et al., 2014). This follow-up article presents data from an additional 171 studies and also the combined dataset. Collectively, the data provide consistent and compelling evidence for revision of EFSA's guidance. This assessment covers 152 agrochemicals, 19 formulation types and representative ranges of spray concentrations. The analysis used EFSA's worst-case dermal absorption definition (i.e., an entire skin residue, except for surface layers of stratum corneum, is absorbed). It confirmed previously proposed default values of 6% for liquid and 2% for solid concentrates, irrespective of active substance loading, and 30% for all spray dilutions, irrespective of formulation type. For concentrates, absorption from solvent-based formulations provided reliable read-across for other formulation types, as did water-based products for solid concentrates. The combined dataset confirmed that absorption does not increase linearly beyond a 5-fold increase in dilution. Finally, despite using EFSA's worst-case definition for absorption, a rationale for routinely excluding the entire stratum corneum residue, and ideally the entire epidermal residue in in vitro studies, is presented.

  1. Low-potential iron-sulfur centers in photosystem I: an X-ray absorption spectroscopy study.

    PubMed

    McDermott, A E; Yachandra, V K; Guiles, R D; Britt, R D; Dexheimer, S L; Sauer, K; Klein, M P

    1988-05-31

    We have measured the X-ray absorption spectra of Fe in photosystem I (PS I) preparations from spinach and a thermophilic cyanobacterium, Synechococcus sp., to characterize structures of the Fe complexes that function as electron acceptors in PS I. These acceptors include centers A and B, which are probably typical [4Fe-4S] ferredoxins, and X. The structure of X is not known, but its electron paramagnetic resonance (EPR) spectrum has generated the suggestions that it is either a [2Fe-2S] or [4Fe-4S] ferredoxin or an Fe-quinone species. The iron X-ray absorption K-edge and iron extended X-ray absorption fine structure (EXAFS) spectra reveal that essentially all of the 11-14 Fe atoms present in the reaction center are present in the form of Fe-S centers and that not more than 1 atom out of 12 could be octahedral or oxygen-coordinated Fe. This suggests that, besides A and B, additional Fe-S clusters are present which are likely to be X. Our EXAFS spectra cannot be simulated adequately by a mixture of [4Fe-4S] ferredoxins with typical bond lengths and disorder parameters because the amplitude of Fe backscattering is small; however, excellent simulations of the data are consistent with a mixture of [2Fe-2S] ferredoxins and [4Fe-4S] ferredoxins, or with unusually distorted [4Fe-4S] clusters. We presume that the [2Fe-2S] or distorted [4Fe-4S] centers are X. The X-ray absorption spectra of PS I preparations from Synechococcus and spinach are essentially indistinguishable.

  2. Experimental study of negative temperatures in lithium-bromide absorption refrigerating machines

    NASA Astrophysics Data System (ADS)

    Stepanov, K. I.; Mukhin, D. G.; Alekseenko, S. V.; Volkova, O. V.

    2015-07-01

    The authors have developed a method and presented experimental data for obtaining negative temperatures of evaporation in lithium-bromide absorption chillers driven by heat recovery. It has been found that the attainable temperature of the refrigerated medium is the value of -5 °C.

  3. Predisposition for Nightmares: A Study of Hypnotic Ability, Vividness of Imagery, and Absorption.

    ERIC Educational Resources Information Center

    Belicki, Kathryn; Belicki, Denis

    1986-01-01

    Examined relationships of nightmare frequency to hypnotic ability, vividness of visual imagery, and the tendency to become absorbed in fantasy-like experiences. Use of Mark's Vividness of Visual Imagery Questionnaire, and Rotenberg and Bowers' Absorption scale showed individuals with frequent nightmares to score higher on hypnotizability,…

  4. Theoretical study of absorption and fluorescence spectra of firefly luciferin in aqueous solutions.

    PubMed

    Hiyama, Miyabi; Akiyama, Hidefumi; Yamada, Kenta; Koga, Nobuaki

    2012-01-01

    The absorption and fluorescence spectra of firefly luciferin, which is an analog of oxyluciferin, are investigated by performing the density functional theory (DFT) calculations, especially focusing on the experimentally unassigned peaks. Time-dependent DFT calculations are performed for the excited states of firefly luciferin and its conjugate acids and bases. We find that (1) the peaks in the experimental absorption spectra correspond to the excited states of not only (6'O(-), 4COO(-)) and (6'OH, 4COO(-)), but also (6'OH, 4COOH) and (6'OH, 3H(+), 4COOH); (2) the peaks in the experimental fluorescence spectra correspond to the excited states of not only (6'O(-), 4COO(-)), but also (6'OH, 4COO(-)), (6'O(-), 4COOH), (6'OH, 4COOH) and (6'OH, 3H(+), 4COOH); (3) the unassigned peak near 400 nm in the experimental absorption spectra at pH 1 is assigned to the absorption from the equilibrium ground state to the first excited state of (6'OH, 3H(+), 4COOH); and (4) the unassigned peak at 610 nm in the experimental fluorescence spectra corresponds to the transition from the equilibrium first excited state to the ground state of (6'OH, 4COO(-)). PMID:22364397

  5. Application of x-ray absorption spectroscopy to the study of corrosion and inhibition

    SciTech Connect

    Davenport, A.J.; Isaacs, H.S.

    1991-01-01

    X-ray absorption spectroscopy is a powerful technique for determination of valency and coordination. Measurements can be made in air or in situ under electrochemical control. The technique will be described and its application to the analysis of passive oxide films, corrosion products, and inhibitors will be reviewed.

  6. Absorption and photoluminescence study of Al 2O 3 single crystal irradiated with fast neutrons

    NASA Astrophysics Data System (ADS)

    Izerrouken, M.; Benyahia, T.

    2010-10-01

    Colour centers formation in Al 2O 3 by reactor neutrons were investigated by optical measurements (absorption and photoluminescence). The irradiation's were performed at 40 °C, up to fast neutron ( E n > 1.2 MeV) fluence of 1.4 × 10 18 n cm -2. After irradiation the coloration of the sample increases with the neutron fluence and absorption band at about 203, 255, 300, 357 and 450 nm appear in the UV-visible spectrum. The evolution of each absorption bands as a function of fluence and annealing temperature is presented and discussed. The results indicate that at higher fluence and above 350 °C the F + center starts to aggregate to F center clusters (F 2, F 2+ and F22+). These aggregates disappear completely above 650 °C whereas the F and F + centers persist even after annealing at 900 °C. It is clear also from the results that the absorption band at 300 nm is due to the contribution of both F 2 center and interstitial Ali+ ions.

  7. Prodrug/Enzyme based acceleration of absorption of hydrophobic drugs: an in vitro study.

    PubMed

    Kapoor, Mamta; Siegel, Ronald A

    2013-09-01

    Poor water solubility of APIs is a key challenge in drug discovery and development as it results in low drug bioavailability upon local or systemic administration. The prodrug approach is commonly utilized to enhance solubility of hydrophobic drugs. However, for accelerated drug absorption, supersaturated solutions need to be employed. In this work, a novel prodrug/enzyme based system was developed wherein prodrug and enzyme are coadministered at the point of absorption (e.g., nasal cavity) to form in situ supersaturated drug solutions for enhanced bioavailability. A combination of fosphenytoin/alkaline phosphatase was used as a model system. Prodrug conversion kinetics were evaluated with various prodrug/enzyme ratios at pH 7.4 and 32 °C. Phenytoin permeation rates were determined at various degrees of supersaturation (S = 0.8-6.1), across confluent Madin Darby canine kidney II-wild type monolayers (a nasal epithelium model), with prodrug and enzyme spiked into the apical chamber. Membrane intactness was confirmed by measuring transepithelial electrical resistance and inulin permeability. Fosphenytoin and phenytoin concentrations were analyzed using HPLC. Results indicated that a supersaturated solution could be formed using such prodrug/enzyme systems. Drug absorption increased proportionately with increasing degrees of supersaturation; this flux was 1.5-6 fold greater than that for the saturated phenytoin solution. The experimental data fitted reasonably well to a two compartment pharmacokinetic (PK) model with first order conversion of prodrug to drug. This prodrug/enzyme system markedly enhances drug transport across the model membrane. Applied in vivo, this strategy could be used to facilitate drug absorption through mucosal membranes when absorption is limited by solubility.

  8. [Study on determination of eight metal elements in Hainan arecanut leaf by flame atomic absorption spectrophotometry].

    PubMed

    Liu, Li-yun; Wang, Ping; Feng, Mei-li; Dong, Zhi-guo; Li, Jie

    2008-12-01

    Arecanut is a sort of palm that is important economic crop for the farmers in Hainan province of China, wherein there are many kinds of metal elements such as K, Ca, Na, Mg, Fe, Mn, Cu, Zn etc. These elements are important nutrition for the growth of arecanut. It is very valuable to study on the content of these metal elements in arecanut leaf in terms of plant nutriology of arecanut. The arecanut leaf in Wangling county, Hainan province of China was sampled by diagonal-field-sampling method. Refering to other plant sample determination by FAAS, the detailed studies are done with different digestion and determination methods. In the present paper the effects of mixed acid of HNO3-HClO4 digestion method on determining the amount of metal elements in the arecanut leaf by FAAS is reported, and another one is incineration digestion method. FAAS method was established for the determination of K, Ca, Mg, Na, Fe, Mn, Cu and Zn The samples were incinerated or heated with HNO3-HClO4 (4:1). In the meantime, the optimum parameters of FAAS and effects of different digestion methods on the results were discussed. The recovery rate of standard addition is 98.36%-102.38% in the first method; RSD is 0.42%-2.328% (n=6); The recovery rate of standard addition is 99.22%-103.72% in the second method; RSD is 0.58%-1.283 (n=6). The metal amount determined by the first method is lower than the second method, the ratio is 0.9703-0.9934. The two methods are satisfied, but the latter is better. It is precise enough to common experiment to use flame atomic absorption spectrophotometry with digestion by incineration If the especially precise experiment is required, the digestion methods with mixed acid of HNO3-HClO4 may be introduced. The paper introduced methods dependable for determination of some metal elements in order to study on some nutrient effects of these metal elements in arecanut. PMID:19248529

  9. [Rat intestine absorption kinetics study on cucurbitacin B-sodium deoxycholate/phospholipid mixed nanomicelles with in vitro everted gut sacs model].

    PubMed

    Cheng, Ling; Shen, Bao-de; Li, Juan-juan; Qiu, Ling; Shen, Gang; Zhang, Li-hong; Han, Jin; Yuan, Hai-long

    2015-07-01

    To investigate the absorption kinetics of Cu B-SDC/PLC-MMs in rat different intestinal segments and compared with the absorption of Cu B suspension. The in vitro everted gut sacs model was established to study the absorption characteristics of Cu B-SDC/ PLC-MMs in rat duodenum, jejunum, ileum and colon, and the content of cucurbitacin B was detected by HPLC method, and the effects of concentrations on intestinal absorption were evaluated as well. The results showed that the absorption of Cu B-SDC/PLC-MMs was linearity at different intestine segment and different concentrations (R2 > 0.9), which was consistent with zero order rate process. The Ka of different intestine segments showed a concentration-dependent increasing along with the raised concentration of Cu B-SDC/ PLC-MMs, indicating that it was likely to be a mechanism of passive absorption. The best absorption site of Cu B-SDC/PLC-MMs was ileum, and its absorptions in different intestinal segments were superior to cucurbitacin B suspension. SDC/PLC-MMs could significantly enhance the intestinal absorption of cucurbitacin B, and the study of intestinal absorption kinetics of Cu B-SDC/PLC-MMs had gave a support to its further reasonable solidfication.

  10. X-ray absorption and infrared spectra of water and ice: A first-principles electronic structure study

    NASA Astrophysics Data System (ADS)

    Chen, Wei

    Water is of essential importance for chemistry and biology, yet the physics concerning many of its distinctive properties is not well known. In this thesis we present a theoretical study of the x-ray absorption (XA) and infrared (IR) spectra of water in liquid and solid phase. Our theoretical tools are the density functional theory (DFT), Car-Parrinello (CP) molecular dynamics (MD), and the so-called GW method. Since a systematic review of these ab initio methods is not the task of this thesis, we only briefly recall the main concepts of these methods as needed in the course of our exposition. The focus is, instead, an investigation of what is the important physics necessary for a better description of these excitation processes, in particular, core electron excitations (in XA) that reveal the local electronic structure, and vibrational excitations (in IR) associated to the molecular dynamics. The most interesting question we are trying to answer is: as we include better approximations and more complete physical descriptions of these processes, how do the aforementioned spectra reflect the underlying hydrogen-bonding network of water? The first part of this thesis consists of the first four chapters, which focus on the study of core level excitation of water and ice. The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, even the small effects of a temperature change in the liquid, are reproduced with quantitative detail using molecular configurations generated by ab initio molecular dynamics. We find that the spectral shape is controlled by two major modifications of the short range order that mark the transition from ice to water. One is associated to dynamic breaking of the hydrogen bonds which leads to a strong enhancement of the pre-edge intensity in the liquid. The other is due to densification, which follows the partial collapse of the hydrogen bond network and is

  11. Surface relaxation in liquid water and methanol studied by x-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Wilson, Kevin R.; Schaller, R. D.; Co, D. T.; Saykally, R. J.; Rude, Bruce S.; Catalano, T.; Bozek, J. D.

    2002-10-01

    X-ray absorption spectroscopy is a powerful probe of local electronic structure in disordered media. By employing extended x-ray absorption fine structure spectroscopy of liquid microjets, the intermolecular O-O distance has been observed to undergo a 5.9% expansion at the liquid water interface, in contrast to liquid methanol for which there is a 4.6% surface contraction. Despite the similar properties of liquid water and methanol (e.g., abnormal heats of vaporization, boiling points, dipole moments, etc.), this result implies dramatic differences in the surface hydrogen bond structure, which is evidenced by the difference in surface tension of these liquids. This result is consistent with surface vibrational spectroscopy, which indicates both stronger hydrogen bonding and polar ordering at the methanol surface as a consequence of "hydrophobic packing" of the methyl group.

  12. Study on Absorption Heat transfer of Two-Dimensionally Constant Curvature Surface Tubes-1

    NASA Astrophysics Data System (ADS)

    Ogawa, Kiyoshi; Isshiki, Naotsugu

    In order to get better heat transfer coefficient of absorption in actual apparatus, it is considered that the wettability of the surface should be high, and that the thickness of liquid film should not be too thin or too thick all over the surface. So, new conception of two-dimensionally constant curvature surface (CCS) for absorption heat transfer has been introduced for the first time by the authors. First, theoretical CCS section curves of CCS tubes were calculated, and some of them were manufactured for the test. The wettability of CCS is tested and compared to the other finned tubes (radial fin tubes of triangular and rectangular profiles). As may be seen from photographs and compared to the other finned tubes, on the CCS surface, the thickness of liquid has shown to be even all over the surface without creating paticulary thick or thin place, so that, liquid films are very wettable on the CCS surface.

  13. Preliminary study of neutron absorption by concrete with boron carbide addition

    NASA Astrophysics Data System (ADS)

    Abdullah, Yusof; Ariffin, Fatin Nabilah Tajul; Hamid, Roszilah; Yusof, Mohd Reusmaazran; Zali, Nurazila Mat; Ahmad, Megat Harun Al Rashid Megat; Yazid, Hafizal; Ahmad, Sahrim; Mohamed, Abdul Aziz

    2014-02-01

    Concrete has become a conventional material in construction of nuclear reactor due to its properties like safety and low cost. Boron carbide was added as additives in the concrete construction as it has a good neutron absorption property. The sample preparation for concrete was produced with different weight percent of boron carbide powder content. The neutron absorption rate of these samples was determined by using a fast neutron source of Americium-241/Be (Am-Be 241) and detection with a portable backscattering neutron detector. Concrete with 20 wt % of boron carbide shows the lowest count of neutron transmitted and this indicates the most neutrons have been absorbed by the concrete. Higher boron carbide content may affect the concrete strength and other properties.

  14. [Atom-absorption spectrometry in studying of Vipera lebetina obtusa venom].

    PubMed

    Babaev, E T; Abiev, G A; Topchieva, Sh A; Chumburidze, T B; Nemsitsveridze, N G

    2009-09-01

    The aim of the investigation was to work out the atom-absorption spectrometry method for definition of elementary structure of snake venom. The investigation was conducted on venom vipers, caught in the Gobustan district. Determination of heavy metals in venom vipers, was conducted by means of atom-absorption spectrometry (Perkin-Elmer AAS-300). The concentration of the following metals in samples of Vipera Lebetina obtusa venom was defined: Cd (0,012%), (1,234%), Fe (0,487%), Cr (0,171%), Zn (0,78%). The obtained data by means of proposed method of definition of heavy metals in samples of snake venom can be applied to standardize the snake venom, to establish the authenticity in a forensic medical examination, in analyses of medication on the basis of snake venom.

  15. A study into light scattering and absorption by aluminum nanoparticles in PETN

    NASA Astrophysics Data System (ADS)

    Aduev, B.; Nurmukhametov, D.; Zvekov, A.; Nikitin, A.

    2014-11-01

    The paper is devoted to experimental and theoretical research into nanopartides' optic properties in pentaerythritol tetranitrate (petn) matrix. A photometric sphere was applied for the transmittance and sum of transmittance and reflectance measurement of petn pressed pellets containing aluminum nanoparticles at the light wavelength 643 nm. The theory of light propagation in terms of spherical harmonics solution of radiative transfer equation in the slab geometry with Fresnel boundary conditions was developed. The properties of aluminum nanoparticles were evaluated in terms of Mie theory. The absorbed energy distribution inside the sample was calculated. It was shown that the Beer's type law is applicable approximately. The apparent light absorption cross section determined, which takes into account both scattering and absorption, is bigger than the geometrical one. The aluminum refractive index value, estimated during comparison of theory with the experimental data, agrees well with the handbook's data.

  16. Preliminary study of neutron absorption by concrete with boron carbide addition

    SciTech Connect

    Abdullah, Yusof Yusof, Mohd Reusmaazran; Zali, Nurazila Mat; Ahmad, Megat Harun Al Rashid Megat; Yazid, Hafizal; Ariffin, Fatin Nabilah Tajul; Ahmad, Sahrim; Hamid, Roszilah; Mohamed, Abdul Aziz

    2014-02-12

    Concrete has become a conventional material in construction of nuclear reactor due to its properties like safety and low cost. Boron carbide was added as additives in the concrete construction as it has a good neutron absorption property. The sample preparation for concrete was produced with different weight percent of boron carbide powder content. The neutron absorption rate of these samples was determined by using a fast neutron source of Americium-241/Be (Am-Be 241) and detection with a portable backscattering neutron detector. Concrete with 20 wt % of boron carbide shows the lowest count of neutron transmitted and this indicates the most neutrons have been absorbed by the concrete. Higher boron carbide content may affect the concrete strength and other properties.

  17. Small-scale studies of roasted ore waste reveal extreme ranges of stable mercury isotope signatures

    NASA Astrophysics Data System (ADS)

    Smith, Robin S.; Wiederhold, Jan G.; Jew, Adam D.; Brown, Gordon E.; Bourdon, Bernard; Kretzschmar, Ruben

    2014-07-01

    Active and closed Hg mines are significant sources of Hg contamination to the environment, mainly due to large volumes of mine waste material disposed of on-site. The application of Hg isotopes as source tracer from such contaminated sites requires knowledge of the Hg isotope signatures of different materials potentially released to the environment. Previous work has shown that calcine, the waste residue of the on-site ore roasting process, can exhibit distinct Hg isotope signatures compared with the primary ore. Here, we report results from a detailed small-scale study of Hg isotope variations in calcine collected from the closed New Idria Hg mine, San Benito County, CA, USA. The calcine samples exhibited different internal layering features which were investigated using optical microscopy, micro X-ray fluorescence, micro X-ray absorption spectroscopy (μ-XAS), and stable Hg isotope analysis. Significant Fe, S, and Hg concentration gradients were found across the different internal layers. Isotopic analyses revealed an extreme variation with pronounced isotopic gradients across the internal layered features. Overall, δ202Hg (±0.10‰, 2 SD) describing mass-dependent fractionation (MDF) ranged from -5.96 to 14.49‰, which is by far the largest range of δ202Hg values reported for any environmental sample. In addition, Δ199Hg (±0.06‰, 2 SD) describing mass-independent fractionation (MIF) ranged from -0.17 to 0.21‰. The μ-XAS analyses suggested that cinnabar and metacinnabar are the dominant Hg-bearing phases in the calcine. Our results demonstrate that the incomplete roasting of HgS ores in Hg mines can cause extreme mass-dependent Hg isotope fractionations at the scale of individual calcine pieces with enrichments in both light and heavy Hg isotopes relative to the primary ore signatures. This finding has important implications for the application of Hg isotopes as potential source tracers for Hg released to the environment from closed Hg mines and

  18. EPR and optical absorption studies of Cu{sup 2+} ions in alkaline earth alumino borate glasses

    SciTech Connect

    Ramesh Kumar, V.; Rao, J.L. . E-mail: jlrao46@yahoo.co.in; Gopal, N.O.

    2005-08-11

    Electron paramagnetic resonance (EPR) and optical absorption spectra of Cu{sup 2+} ions in alkaline earth alumino borate glasses doped with different concentrations of CuO have been studied. The EPR spectra of all the glasses exhibit the resonance signals, characteristic of Cu{sup 2+} ions present in axially elongated octahedral sites. The number of spins participating in the resonance has been calculated as a function of temperature for calcium alumino borate (CaAB) glass doped with 0.1 mol% of CuO. From the EPR data, the paramagnetic susceptibility ({chi}) was calculated at different temperatures (T) and from the 1/{chi}-T graph, the Curie temperature of the glass has been evaluated. The optical absorption spectra of all the glasses show a single broad band, which has been assigned to the {sup 2}B{sub 1g} {yields} {sup 2}B{sub 2g} transition of the Cu{sup 2+} ions. The variation in the intensity of optical absorption with the ionic radius of the alkaline earth ion has been explained based on the Coulombic forces. By correlating the EPR and optical absorption spectral data, the nature of the in-plane {sigma} bonding between Cu{sup 2+} ion and the ligands is estimated. From the fundamental ultraviolet absorption edges of the glasses, the optical energy gap (E {sub opt}) and the Urbach energy ({delta}E) are evaluated. The variation in E {sub opt} and {delta}E is explained based on the number of defect centers in the glass.

  19. Oxygen binding by Helix pomatia alpha-haemocyanin studied by X-ray-absorption spectroscopy.

    PubMed Central

    Torensma, R; Phillips, J C

    1983-01-01

    The X-ray absorption spectra of haemocyanin from Helix pomatia were obtained by using X-rays from synchrotron radiation. Cu K-edges were recorded at four conditions, namely fully oxygenated, 85% oxygenated, 12% oxygenated and fully deoxygenated. The percentage oxygenation calculated from the edge-shift of the partially oxygenated samples did not agree with the percentage oxygenation as determined by u.v. measurements. Two intermediates in the oxygenation process are presented to explain the observed dissimilarities. PMID:6847624

  20. Total absorption study of the β decay of 102,104,105Tc

    NASA Astrophysics Data System (ADS)

    Jordan, D.; Algora, A.; Taín, J. L.; Rubio, B.; Agramunt, J.; Perez-Cerdan, A. B.; Molina, F.; Caballero, L.; Nácher, E.; Krasznahorkay, A.; Hunyadi, M. D.; Gulyás, J.; Vitéz, A.; Csatlós, M.; Csige, L.; Äysto, J.; Penttilä, H.; Moore, I. D.; Eronen, T.; Jokinen, A.; Nieminen, A.; Hakala, J.; Karvonen, P.; Kankainen, A.; Saastamoinen, A.; Rissanen, J.; Kessler, T.; Weber, C.; Ronkainen, J.; Rahaman, S.; Elomaa, V.; Hager, U.; Rinta-Antila, S.; Sonoda, T.; Burkard, K.; Hüller, W.; Batist, L.; Gelletly, W.; Nichols, A. L.; Yoshida, T.; Sonzogni, A. A.; Peräjärvi, K.; Petrovici, A.; Schmid, K. W.; Faessler, A.

    2013-04-01

    The β-feeding probabilities for three important contributors to the decay heat in nuclear reactors, namely 102,104,105Tc, have been measured using the total absorption spectroscopy technique. For the measurements, sources of very high isobaric purity have been obtained using a Penning trap (JYFLTRAP). A detailed description of the data analysis is given and the results are compared with high-resolution measurements and theoretical calculations.

  1. A X-Ray Absorption Spectroscopy Study of Manganese Containing Compounds and Photosynthetic Spinach Chloroplasts.

    NASA Astrophysics Data System (ADS)

    Kirby, Jon Allan

    The manganese sites in chloroplasts, long thought to be involved in photosynthetic oxygen evolution have been examined and partially characterized by X-ray Absorption Spectroscopy (XAS) using synchrotron radiation. The local environment about the manganese atoms is estimated from an analysis of the extended X-ray Absorption Fine Structure (EXAFS). Comparisons with and simulations of the manganese EXAFS for several reference compounds leads to a model in which the chloroplast manganese atoms are contained in a binuclear complex similar to di-u-oxo -tetrakis-(2,2'-bipyridine) dimanganese. It is suggested that the partner metal is another manganese. The bridging ligands are most probably oxygen. The remaining manganese ligands are carbon, oxygen, or nitrogen. A roughly linear correlation between the X-ray K edge onset energy and the "coordination charge" of a large number of manganese coordination complexes and compounds has been developed. Entry of the chloroplast manganese edge energy onto this correlation diagram establishes that the active pool of manganese is in an oxidation state greater than +2. If the manganese is in a dimeric form the oxidation states are most probably (II,III). Underlying these results is an extensive data analysis methodology. The method developed involves the use of many different background removal techniques, Fourier transforms and ultimately curve fitting to the modulations in the x-ray absorption cross sections. A large number of model compounds were used to evaluate the analysis method. These analyses are used to show that the two major curve fitting models available are essentially equivalent. Due to its greater versatility, the theoretical model of Teo and Lee is preferred (J. Am. Chem. Soc. (1979), 101, 2815). The results are also used to determine the informational limitations of XAS within the limits of the present understanding of X-ray absorption phenomena by inner shell electrons for atoms with atomic number greater than that

  2. Studies of the differential absorption rocket experiment. [to measure atmospheric electron density

    NASA Technical Reports Server (NTRS)

    Ginther, J. C.; Smith, L. G.

    1975-01-01

    Investigations of the ionosphere, in the rocket program of the Aeronomy Laboratory, include a propagation experiment, the data from which may be analyzed in several modes. This report considers in detail the differential absorption experiment. The sources of error and limitations of sensitivity are discussed. Methods of enhancing the performance of the experiment are described. Some changes have been made in the system and the improvement demonstrated. Suggestions are made for further development of the experiment.

  3. Secondary Structure and Pd(II) Coordination in S-Layer Proteins from Bacillus sphaericus Studied by Infrared and X-Ray Absorption Spectroscopy

    PubMed Central

    Fahmy, Karim; Merroun, Mohamed; Pollmann, Katrin; Raff, Johannes; Savchuk, Olesya; Hennig, Christoph; Selenska-Pobell, Sonja

    2006-01-01

    The S-layer of Bacillus sphaericus strain JG-A12, isolated from a uranium-mining site, exhibits a high metal-binding capacity, indicating that it may provide a protective function by preventing the cellular uptake of heavy metals and radionuclides. This property has allowed the use of this and other S-layers as self-assembling organic templates for the synthesis of nanosized heavy metal cluster arrays. However, little is known about the molecular basis of the metal-protein interactions and their impact on secondary structure. We have studied the secondary structure, protein stability, and Pd(II) coordination in S-layers from the B. sphaericus strains JG-A12 and NCTC 9602 to elucidate the molecular basis of their biological function and of the metal nanocluster growth. Fourier transform infrared spectroscopy reveals similar secondary structures, containing ∼35% β-sheets and little helical structure. pH-induced infrared absorption changes of the side-chain carboxylates evidence a remarkably low pK < 3 in both strains and a structural stabilization when Pd(II) is bound. The COO−-stretching absorptions reveal a predominant Pd(II) coordination by chelation/bridging by Asp and Glu residues. This agrees with XANES and EXAFS data revealing oxygens as coordinating atoms to Pd(II). The additional participation of nitrogen is assigned to side chains rather than to the peptide backbone. The topology of nitrogen- and carboxyl-bearing side chains appears to mediate heavy metal binding to the large number of Asp and Glu in both S-layers at particularly low pH as an adaptation to the environment from which the strain JG-A12 has been isolated. These side chains are thus prime targets for the design of engineered S-layer-based nanoclusters. PMID:16698775

  4. Theoretical study of firefly luciferin pKa values--relative absorption intensity in aqueous solutions.

    PubMed

    Hiyama, Miyabi; Akiyama, Hidefumi; Yamada, Kenta; Koga, Nobuaki

    2013-01-01

    Ground-state vibrational analyses of firefly luciferin and its conjugate acids and bases are performed. The Gibbs free energies obtained from these analyses are used to estimate pKa values for phenolic hydroxy and carboxy groups and the N-H(+) bond in the N-protonated thiazoline or benzothiazole ring of firefly luciferin. The theoretical pKa values are corrected using the experimental values. The concentrations of these chemical species in solutions with different pH values are estimated from their corrected pKa values, and the pH dependence of their relative absorption intensities is elucidated. With the results obtained we assign the experimental spectra unequivocally. Especially, the small peak near 400 nm at pH 1-2 in experimental absorption spectra is clarified to be due to the excitation of carboxylate anion with N-protonated thiazoline ring of firefly luciferin. Our results show that the pKa values of chemical species, which are contained in the aqueous solutions, are effective to assign experimental absorption spectra. PMID:23360188

  5. Theoretical study of firefly luciferin pKa values--relative absorption intensity in aqueous solutions.

    PubMed

    Hiyama, Miyabi; Akiyama, Hidefumi; Yamada, Kenta; Koga, Nobuaki

    2013-01-01

    Ground-state vibrational analyses of firefly luciferin and its conjugate acids and bases are performed. The Gibbs free energies obtained from these analyses are used to estimate pKa values for phenolic hydroxy and carboxy groups and the N-H(+) bond in the N-protonated thiazoline or benzothiazole ring of firefly luciferin. The theoretical pKa values are corrected using the experimental values. The concentrations of these chemical species in solutions with different pH values are estimated from their corrected pKa values, and the pH dependence of their relative absorption intensities is elucidated. With the results obtained we assign the experimental spectra unequivocally. Especially, the small peak near 400 nm at pH 1-2 in experimental absorption spectra is clarified to be due to the excitation of carboxylate anion with N-protonated thiazoline ring of firefly luciferin. Our results show that the pKa values of chemical species, which are contained in the aqueous solutions, are effective to assign experimental absorption spectra.

  6. Further studies on the absorption of actinide elements from the gastrointestinal tract of neonatal animals.

    PubMed

    Sullivan, M F; Gorham, L S

    1982-10-01

    Plutonium retention was measured after intragastric administration to neonatal rats, dogs and swine. At 1 week after administration, substantially more of the actinide remained in swine and dogs than in rats. The quantity of 238Pu absorbed by piglets was markedly influenced by such factors as compound solubility, mass of plutonium administered, oxidation state of the actinide, and age of the animal at gavage. Cortisone treatment reduced absorption, but was less effective in piglets than in neonatal rats. Measurements of 238Pu transport from ligated segments of the neonatal swine intestine indicated highest absorption from the duodenum, where the actinide was shown, autoradiographically, to be deposited in the epithelial region; in the ileum, deposition was predominantly in the lacteal region. Absorption of actinides by neonatal swine decreased in the order of 233U greater than 238Pu greater than 237Np greater than 244Cm greater than 241Am. Measurements at 1 yr after gavage showed a much higher retention by swine than by rats.

  7. X-Ray Absorption Studies of Vanadium-Containing Metal Oxide Nanocrystals

    SciTech Connect

    Hohn, Keith, L.

    2006-01-09

    Metal oxide nanocrystals offer significant potential for use as catalysts or catalyst supports due to their high surface areas and unique chemical properties that result from the high number of exposed corners and edges. However, little is known about the catalytic activity of these materials, especially as oxidation catalysts. This research focused on the preparation, characterization and use of vanadium-containing nanocrystals as selective oxidation catalysts. Three vanadium-containing nanocrystals were prepared using a modified sol-gel procedure: V/MgO, V/SiO2, and vanadium phosphate (VPO). These represent active oxidation catalysts for a number of industrially relevant reactions. The catalysts were characterized by x-ray diffraction and Raman, UV-VIS, infrared and x-ray absorption spectroscopies with the goal of determining the primary structural and chemical differences between nanocrystals and microcrystals. The catalytic activity of these catalysts was also studied in oxidative dehydrogenation of butane and methanol oxidation to formaldehyde. V/MgO nanocrystals were investigated for activity in oxidative dehydrogenation of butane and compared to conventional V/MgO catalysts. Characterization of V/MgO catalysts using Raman spectroscopy and x-ray absorption spectroscopy showed that both types of catalysts contained magnesium orthovanadate at vanadium loadings below 15 weight%, but above that loading, magnesium pyrovanadate may have been present. In general, MgO nanocrystals had roughly half the crystal size and double the surface area of the conventional MgO. In oxidative dehydrogenation of butane, nanocrystalline V/MgO gave higher selectivity to butene than conventional V/MgO at the same conversion. This difference was attributed to differences in vanadium domain size resulting from the higher surface areas of the nanocrystalline support, since characterization suggested that similar vanadium phases were present on both types of catalysts. Experiments in

  8. Absorption coefficients of CFC-11 and CFC-12 needed for atmospheric remote sensing and global warming studies

    NASA Technical Reports Server (NTRS)

    Varanasi, Prasad

    1992-01-01

    Spectral absorption coefficients k(v) in the atmospheric window are reported for CFC-11 and CFC-12. Data obtained with a grating spectrometer are compared with NCAR cross sections and measurements of k(v) made with a tunable diode laser spectrometer at various temperature-pressure combinations representing tangent heights or layers in the atmosphere are presented. The results are suitable for atmospheric remote sensing and global warming studies.

  9. Gas cell based on optical contacting for fundamental spectroscopy studies with initial reference absorption spectrum of H2O vapor at 1723 K and 0.0235 bar

    NASA Astrophysics Data System (ADS)

    Melin, Scott T.; Sanders, Scott T.

    2016-09-01

    A gas cell, using optically contacted sapphire windows to form a hot vapor seal, has been created for high temperature fundamental spectroscopy studies. It is designed to operate at temperatures from 280-2273 K and pressures from vacuum to 1.3 bar. Using the cell in conjunction with an external cavity diode laser spectrometer, a reference H2O vapor absorption spectrum at P=0.0235±0.0036 bar and T=1723±6 K was measured with 0.0001 cm-1 resolution over the 7326-7598 cm-1 range. Comparison of the measured spectrum to simulations reveals errors in both the HITEMP and BT2 databases. This work establishes heated static cell capabilities at temperatures well above the typical limit of approximately 1300 K set by quartz material properties. This paper addresses the design of the cell as well as the cell's limitations.

  10. Metal induced gap states at LiCl Cu(0 0 1) interface studied by X-ray absorption fine structure

    NASA Astrophysics Data System (ADS)

    Kiguchi, Manabu; Katayama, Masao; Yoshikawa, Genki; Saiki, Koichiro; Koma, Atushi

    2003-05-01

    A single crystalline LiCl film grows heteroepitaxially on Cu(0 0 1) in a layer-by-layer fashion at 300 K. The LiCl-Cu(0 0 1) system provides a well-defined insulator-metal interface. Electronic structure of the LiCl film grown on Cu(0 0 1) was studied using Cl K-edge near edge X-ray absorption fine structure (NEXAFS). A pre-peak was observed on the bulk edge onset for the thin LiCl films. The pre-peak showed formation of metal-induced gap states (MIGS) in the band gap of LiCl. The characteristic decay length of the MIGS was determined to be 2.6 Å by analyzing the thickness dependence on the intensity of the pre-peak. The present result has revealed the MIGS at the well-defined insulator-metal interface for the first time.

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

    SciTech Connect

    DeWitt, J.G.

    1992-12-01

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

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

    SciTech Connect

    DeWitt, J.G.

    1992-12-01

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

  13. Voltage-controlled magnetic anisotropy in Fe|MgO tunnel junctions studied by x-ray absorption spectroscopy

    SciTech Connect

    Miwa, Shinji Matsuda, Kensho; Tanaka, Kazuhito; Goto, Minori; Suzuki, Yoshishige; Kotani, Yoshinori; Nakamura, Tetsuya

    2015-10-19

    In this study, voltage-controlled magnetic anisotropy (VCMA) in Fe|MgO tunnel junctions was investigated via the magneto-optical Kerr effect, soft x-ray absorption spectroscopy, and magnetic circular dichroism spectroscopy. The Fe|MgO tunnel junctions showed enhanced perpendicular magnetic anisotropy under external negative voltage, which induced charge depletion at the Fe|MgO interface. Despite the application of voltages of opposite polarity, no trace of chemical reaction such as a redox reaction attributed to O{sup 2−} migration was detected in the x-ray absorption spectra of the Fe. The VCMA reported in the Fe|MgO-based magnetic tunnel junctions must therefore originate from phenomena associated with the purely electric effect, that is, surface electron doping and/or redistribution induced by an external electric field.

  14. A comparative study of intervening and associated H I 21-cm absorption profiles in redshifted galaxies

    NASA Astrophysics Data System (ADS)

    Curran, S. J.; Duchesne, S. W.; Divoli, A.; Allison, J. R.

    2016-08-01

    The star-forming reservoir in the distant Universe can be detected through H I 21-cm absorption arising from either cool gas associated with a radio source or from within a galaxy intervening the sight-line to the continuum source. In order to test whether the nature of the absorber can be predicted from the profile shape, we have compiled and analysed all of the known redshifted (z ≥ 0.1) H I 21-cm absorption profiles. Although between individual spectra there is too much variation to assign a typical spectral profile, we confirm that associated absorption profiles are, on average, wider than their intervening counterparts. It is widely hypothesised that this is due to high velocity nuclear gas feeding the central engine, absent in the more quiescent intervening absorbers. Modelling the column density distribution of the mean associated and intervening spectra, we confirm that the additional low optical depth, wide dispersion component, typical of associated absorbers, arises from gas within the inner parsec. With regard to the potential of predicting the absorber type in the absence of optical spectroscopy, we have implemented machine learning techniques to the 55 associated and 43 intervening spectra, with each of the tested models giving a ≳80% accuracy in the prediction of the absorber type. Given the impracticability of follow-up optical spectroscopy of the large number of 21-cm detections expected from the next generation of large radio telescopes, this could provide a powerful new technique with which to determine the nature of the absorbing galaxy.

  15. A comparative study of intervening and associated H I 21-cm absorption profiles in redshifted galaxies

    NASA Astrophysics Data System (ADS)

    Curran, S. J.; Duchesne, S. W.; Divoli, A.; Allison, J. R.

    2016-11-01

    The star-forming reservoir in the distant Universe can be detected through H I 21-cm absorption arising from either cool gas associated with a radio source or from within a galaxy intervening the sightline to the continuum source. In order to test whether the nature of the absorber can be predicted from the profile shape, we have compiled and analysed all of the known redshifted (z ≥ 0.1) H I 21-cm absorption profiles. Although between individual spectra there is too much variation to assign a typical spectral profile, we confirm that associated absorption profiles are, on average, wider than their intervening counterparts. It is widely hypothesized that this is due to high-velocity nuclear gas feeding the central engine, absent in the more quiescent intervening absorbers. Modelling the column density distribution of the mean associated and intervening spectra, we confirm that the additional low optical depth, wide dispersion component, typical of associated absorbers, arises from gas within the inner parsec. With regard to the potential of predicting the absorber type in the absence of optical spectroscopy, we have implemented machine learning techniques to the 55 associated and 43 intervening spectra, with each of the tested models giving a ≳ 80 per cent accuracy in the prediction of the absorber type. Given the impracticability of follow-up optical spectroscopy of the large number of 21-cm detections expected from the next generation of large radio telescopes, this could provide a powerful new technique with which to determine the nature of the absorbing galaxy.

  16. Human studies on the absorption, distribution, metabolism, and excretion of tea polyphenols.

    PubMed

    Clifford, Michael N; van der Hooft, Justin J J; Crozier, Alan

    2013-12-01

    Recent research on the bioavailability of flavan-3-ols after ingestion of green tea by humans is reviewed. Glucuronide, sulfate, and methyl metabolites of (epi)catechin and (epi)gallocatechin glucuronide reach peak nanomolar per liter plasma concentrations 1.6-2.3 h after intake, indicating absorption in the small intestine. The concentrations then decline, and only trace amounts remain 8 h after ingestion. Urinary excretion of metabolites over a 24-h period after green tea consumption corresponded to 28.5% of the ingested (epi)catechin and 11.4% of (epi)gallocatechin, suggesting higher absorption than that of most other flavonoids. The fate of (-)-epicatechin-3-O-gallate, the main flavan-3-ol in green tea, is unclear because it appears unmetabolized in low concentrations in plasma but is not excreted in urine. Possible enterohepatic recirculation of flavan-3-ols is discussed along with the impact of dose and other food components on flavan-3-ol bioavailability. Approximately two-thirds of the ingested flavan-3-ols pass from the small to the large intestine where the action of the microbiota results in their conversion to C-6-C-5 phenylvalerolactones and phenylvaleric acids, which undergo side-chain shortening to produce C-6-C-1 phenolic and aromatic acids that enter the bloodstream and are excreted in urine in amounts equivalent to 36% of flavan-3-ol intake. Some of these colon-derived catabolites may have a role in vivo in the potential protective effects of tea consumption. Although black tea, which contains theaflavins and thearubigins, is widely consumed in the Western world, there is surprisingly little research on the absorption and metabolism of these compounds after ingestion and their potential impact on health.

  17. ON ABSORPTION BY CIRCUMSTELLAR DUST, WITH THE PROGENITOR OF SN 2012aw AS A CASE STUDY

    SciTech Connect

    Kochanek, C. S.; Khan, R.; Dai, X.

    2012-11-01

    We use the progenitor of SN 2012aw to illustrate the consequences of modeling circumstellar dust using Galactic (interstellar) extinction laws that (1) ignore dust emission in the near-IR and beyond, (2) average over dust compositions, and (3) mischaracterize the optical/UV absorption by assuming that scattered photons are lost to the observer. The primary consequences for the progenitor of SN 2012aw are that both the luminosity and the absorption are significantly overestimated. In particular, the stellar luminosity is most likely in the range 10{sup 4.8} < L {sub *}/L {sub Sun} < 10{sup 5.0} and the star was not extremely massive for a Type IIP progenitor, with M {sub *} < 15 M {sub Sun }. Given the properties of the circumstellar dust and the early X-ray/radio detections of SN 2012aw, the star was probably obscured by an ongoing wind with M-dot {approx}10{sup -5.5} to 10{sup -5.0} M {sub Sun} yr{sup -1} at the time of the explosion, roughly consistent with the expected mass-loss rates for a star of its temperature (T{sub *} {approx_equal} 3600{sup +300} {sub -200} K) and luminosity. In the spirit of Galactic extinction laws, we supply simple interpolation formulae for circumstellar extinction by dusty graphitic and silicate shells as a function of wavelength ({lambda} {>=} 0.3 {mu}m) and total (absorption plus scattering) V-band optical depth ({tau}{sub V} {<=} 20). These do not include the contributions of dust emission, but provide a simple, physical alternative to incorrectly using interstellar extinction laws.

  18. Study on the Coordination Structure of Pt Sorbed on Bacterial Cells Using X-Ray Absorption Fine Structure Spectroscopy

    PubMed Central

    Tanaka, Kazuya; Watanabe, Naoko

    2015-01-01

    Biosorption has been intensively investigated as a promising technology for the recovery of precious metals from solution. However, the detailed mechanism responsible for the biosorption of Pt on a biomass is not fully understood because of a lack of spectroscopic studies. We applied X-ray absorption fine structure spectroscopy to elucidate the coordination structure of Pt sorbed on bacterial cells. We examined the sorption of Pt(II) and Pt(IV) species on bacterial cells of Bacillus subtilis and Shewanella putrefaciens in NaCl solutions. X-ray absorption near-edge structure and extended X-ray absorption fine structure (EXAFS) of Pt-sorbed bacteria suggested that Pt(IV) was reduced to Pt(II) on the cell’s surface, even in the absence of an organic material as an exogenous electron donor. EXAFS spectra demonstrated that Pt sorbed on bacterial cells has a fourfold coordination of chlorine ions, similar to PtCl42-, which indicated that sorption on the protonated amine groups of the bacterial cells. This work clearly demonstrated the coordination structure of Pt sorbed on bacterial cells. The findings of this study will contribute to the understanding of Pt biosorption on biomass, and facilitate the development of recovery methods for rare metals using biosorbent materials. PMID:25996945

  19. Microwave absorption and EPR studies of a new copper oxyfluoride superconductor synthesised through the ammonium bifluoride route

    NASA Astrophysics Data System (ADS)

    Kadam, R. M.; Wani, B. N.; Sastry, M. D.; Rao, U. R. K.

    1995-02-01

    The recently reported superconductor Sr 2CuO 2F 2.4 is synthesised by a new route of fluorination by NH 4HF 2 and its superconducting phase is investigated by electron paramagnetic resonance, direct microwave absorption and non-resonant response employing magnetic field modulated microwave absorption. These studies have given clear evidence for the occurrence of a superconducting phase below 40 K. From the magnetic field dependence of the changes in microwave absorption, the lower critical field Hc1 (perpendicular to the c-axis) is determined to be 100 G at 10 K. The EPR studies on this oxyfluoride have shown a Cu 2+ signal with 19F super hyperfine structure due to interaction with two equivalent F nuclei. In view of its low intensity it was assigned to a possible ‘defect site’ in the lattice. The line width of the EPR signal increased in the superconducting phase smearing out the 19F shfs below 35 K. This is consistent with what is normally expected in superconductors.

  20. Studies of the moisture absorption of thin carbon fiber reinforced plastic substrates for x-ray mirrors

    NASA Astrophysics Data System (ADS)

    Sugita, Satoshi; Awaki, Hisamitsu; Kurihara, Daichi; Yoshioka, Kenya; Nomura, Mizuki; Ogi, Keiji; Tomita, Yuuki; Mita, Tomoki; Kunieda, Hideyo; Matsumoto, Hironori; Miyazawa, Takuya; Mitsuishi, Ikuyuki; Iwase, Toshihiro; Maejima, Masato; Shima, Naoki; Ishikawa, Takashi; Hamada, Takayoshi; Ishida, Naoki; Akiyama, Hiromichi; Kishimoto, Kazuaki; Utsunomiya, Shin; Kamiya, Tomohiro

    2015-07-01

    We study a lightweight x-ray mirror with a carbon fiber reinforced plastic (CFRP) substrate for next-generation x-ray satellites. For tightly nested x-ray mirrors, such as those on the Suzaku and ASTRO-H telescopes, CFRP is the suitable substrate material because it has a higher strength-to-weight ratio and forming flexibility than those of metals. In flat CFRP substrate fabrication, the surface waviness has a root mean square (RMS) of ˜1 μm in the best products. The RMS approximately reaches a value consistent with the RMS of the mold used for the forming. We study the effect of moisture absorption using accelerated aging tests in three environments. The diffusivity of the CFRP substrate at 60°C and at relative humidity of 100% is ˜9.7×10-4 mm2.h-1, and the acceleration rate to the laboratory environment was 180 times higher. We also develop co-curing functional sheets with low water-vapor transmissivity on the CFRP substrate. Co-curing the sheets successfully reduced the moisture absorption rate by 440 times compared to the un-co-cured substrate. Details of the CFRP substrate fabrication and moisture absorption tests are also reported.

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

    SciTech Connect

    Tan, G.O.

    1993-06-01

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

  2. Electronic Absorption Spectra of Tetrapyrrole-Based Pigments via TD-DFT: A Reduced Orbital Space Study.

    PubMed

    Shrestha, Kushal; Virgil, Kyle A; Jakubikova, Elena

    2016-07-28

    Tetrapyrrole-based pigments play a crucial role in photosynthesis as principal light absorbers in light-harvesting chemical systems. As such, accurate theoretical descriptions of the electronic absorption spectra of these pigments will aid in the proper description and understanding of the overall photophysics of photosynthesis. In this work, time-dependent density functional theory (TD-DFT) at the CAM-B3LYP/6-31G* level of theory is employed to produce the theoretical absorption spectra of several tetrapyrrole-based pigments. However, the application of TD-DFT to large systems with several hundreds of atoms can become computationally prohibitive. Therefore, in this study, TD-DFT calculations with reduced orbital spaces (ROSs) that exclude portions of occupied and virtual orbitals are pursued as a viable, computationally cost-effective alternative to conventional TD-DFT calculations. The effects of reducing orbital space size on theoretical spectra are qualitatively and quantitatively described, and both conventional and ROS results are benchmarked against experimental absorption spectra of various tetrapyrrole-based pigments. The orbital reduction approach is also applied to a large natural pigment assembly that comprises the principal light-absorbing component of the reaction center in purple bacteria. Overall, we find that TD-DFT calculations with proper and judicious orbital space reductions can adequately reproduce conventional, full orbital space, TD-DFT results of all pigments studied in this work.

  3. Infrared study of the absorption edge of {beta}-InN films grown on GaN/MgO structures

    SciTech Connect

    Perez-Caro, M.; Rodriguez, A. G.; Vidal, M. A.; Navarro-Contreras, H.

    2010-07-15

    Infrared optical studies were carried out in a group of cubic InN samples grown by gas source molecular beam epitaxy on MgO (001) substrates. Room temperature (RT) reflectance and low-temperature (LT) transmittance measurements were performed by using fast Fourier transform infrared spectrometry. Reflectance fittings allowed to establish that {beta}-InN films have large free-carrier concentrations present (>10{sup 19} cm{sup -3}), a result that is corroborated by Hall effect measurements. Each sample explored exhibited a different optical absorption edge. The Varshni parameters that describe adequately the optical absorption edge responses with temperature are obtained for the set of samples studied. The observed temperatures changes, from LT to RT, are the lowest reported for III-V semiconductor binary compounds. The temperature coefficient of the conduction band depends on the strength of the electron-phonon interaction (e-ph-i), as well as on the thermal expansion. It has been predicted that cubic InN has one of the smallest e-ph-i of all III-V compounds, which is corroborated by these results. The variation in values of absorption edges is clearly consistent with the Burstein-Moss and band renormalization effects, produced by high free electron concentrations. It is shown that the conduction band in {beta}-InN, analogous to wurtzite InN, follows a nonparabolic behavior.

  4. An x-ray absorption spectroscopy study of Cd binding onto a halophilic archaeon

    NASA Astrophysics Data System (ADS)

    Showalter, Allison R.; Szymanowski, Jennifer E. S.; Fein, Jeremy B.; Bunker, Bruce A.

    2016-05-01

    X-ray absorption spectroscopy (XAS) and cadmium (Cd) isotherm experiments determine how Cd adsorbs to the surface of halophilic archaeon Halobacterium noricense. This archaeon, isolated from the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico could be involved with the transport of toxic metals stored in the transuranic waste in the salt mine. The isotherm experiments show that adsorption is relatively constant across the tolerable pH range for H. noricense. The XAS results indicate that Cd adsorption occurs predominately via a sulfur site, most likely sulfhydryl, with the same site dominating all measured pH values.

  5. X-ray absorption study of pulsed laser deposited boron nitride films

    SciTech Connect

    Chaiken, A.; Terminello, L.J.; Wong, J.; Doll, G.L.; Sato, T.

    1994-02-02

    B and N K-edge x-ray absorption spectroscopy measurements have been performed on three BN thin films grown on Si substrates using ion- assisted pulsed laser deposition. Comparison of the films` spectra to those of several single-phase BN powder standards shows that the films consist primarily of sp{sup 2} bonds. Other features in the films`s spectra suggest the presence of secondary phases, possibly cubic or rhombohedral BN. Films grown at higher deposition rates and higher ion-beam voltages are found to be more disordered, in agreement with previous work.

  6. X-Ray Absorption Studies of Silica-Supported Platinum Catalysts.

    NASA Astrophysics Data System (ADS)

    Mansour, Azzam Nouman

    X-ray absorption spectroscopy (near-edge structure and EXAFS) was used to characterize Pt/SiO(,2) catalysts both electronically and structurally. Two major developments have been made to characterize this system. A technique to quantitatively extract the number of d-band holes in a material utilizing measurements of the L(,2) and L(,3) x-ray absorption edge spectra is presented. The quantity determined is called "the d-electron character" and is defined as the fractional change in the number of d-band holes relative to a reference material. Next, EXAFS analysis procedures were extended to the higher shells (second, third, and fourth) by using the appropriate model shells from EXAFS data of a 2.5-(mu)m-thick platinum foil taken at liquid nitrogen temperature. Four samples were prepared: three by the ion-exchange technique with Pt loadings of 2 wt.%, 1 wt.%, and 0.5 wt.%, and one by the impregnation (incipient wetness) technique with Pt loading of 2 wt.%. The samples were subjected to different pretreatment conditions and were characterized by atomic absorption spectroscopy, electron microscopy, and hydrogen chemisorption. The conclusions made by x-ray absorption spectroscopy were as follows. All samples consist of highly dispersed spherical Pt particles with an average size in the range of 8-28 (ANGSTROM) and are electron deficient relative to bulk Pt. No significant changes on the structural and electronic properties are observed for Pt loadings in the range 1-2 wt.% and H('2)-reduction temperatures in the range 473-723 K for samples prepared by the ion-exchange technique. Slightly smaller Pt particles, which are more electron deficient, are formed when the Pt loading is decreased to 0.5 wt.%. The ion-exchange technique produces smaller Pt particles, which are more electron deficient relative to the impregnation technique. Samples prepared without the O('2)-calcination consist of smaller Pt particles, which are more electron deficient relative to samples prepared

  7. Limited fat absorption in the large intestine of mice. A morphological study.

    PubMed

    Snipes, R L

    1977-01-01

    A limited fat-absorbing ability of the epithelial cells in the cecum and colon of mice was demonstrated light- and electron-microscopically. After injection of predigested donor fat into ligated segments of the large intestine and after massive gastric intubation of fat, fat droplets, predominantly of extremely large diameter, were visible in the cecum and colon. Comparison with fat absorption in the proximal and distal small intestine was undertaken. The large intestine, similar to the distal small intestine, is capable of absorbing lipids; however, the subsequent processing of fat appears considerably less effcient than in the proximal segments of the small intestine.

  8. Biomimetic mono- and dinuclear Ni(I) and Ni(II) complexes studied by X-ray absorption and emission spectroscopy and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Schuth, N.; Gehring, H.; Horn, B.; Holze, P.; Kositzki, R.; Schrapers, P.; Limberg, C.; Haumann, M.

    2016-05-01

    Five biomimetic mono- or dinuclear nickel complexes featuring Ni(I) or Ni(II) sites were studied by X-ray absorption and emission spectroscopy and DFT calculations. Ni K-edge XANES spectra and Kβ main and satellite emission lines were collected on powder samples. The pre-edge absorption transitions (core-to-valence excitation) and Kβ2,5 emission transitions (valence-to-core decay) were calculated using DFT (TPSSh/TZVP) on crystal structures. This yielded theoretical ctv and vtc spectra in near-quantitative agreement with the experiment, showing the adequacy of the DFT approach for electronic structure description, emphasizing the sensitivity of the XAS/XES spectra for ligation/redox changes at nickel, and revealing the configuration of unoccupied and occupied valence levels, as well as the spin-coupling modes in the dinuclear complexes. XAS/XES-DFT is valuable for molecular and electronic structure analysis of synthetic complexes and of nickel centers in H2 or COx converting metalloenzymes.

  9. Study on the Relationship between the Depth of Spectral Absorption and the Content of the Mineral Composition of Biotite.

    PubMed

    Yang, Chang-bao; Zhang, Chen-xi; Liu, Fang; Jiang, Qi-gang

    2015-09-01

    The mineral composition of rock is one of the main factors affecting the spectral reflectance characteristics, and it's an important reason for generating various rock characteristic spectra. This study choose the rock samples provided by Jet Propulsion Laboratory (JPL) (including all kinds of mineral percentage of rocks, and spectral reflectances range from 0.35 to 2.50 μm wavelength measured by ASD spectrometer), and the various types of mineral spectral reflectances contained within the rocks are the essential data. Using the spectral linear mixture model of rocks and their minerals, firstly, a simulation study on the mixture of rock and mineral composition is achieved, the experimental results indicate that rock spectral curves using the model which based on the theory of the linear mixture are able to simulate better and preserve the absorption characteristics of various mineral components well. Then, 8 samples which contain biotite mineral are picked from the rock spectra of igneous, biotite contents and the absorption depth characteristics of spectral reflection at 2.332 μm, furthermore, a variety of linear and nonlinear normal statistical models are used to fit the relationship between the depth of absorption spectra and the content of the mineral composition of biotite, finally, a new simulation model is build up with the Growth and the Exponential curve model, and a statistical response relationship between the spectral absorption depth and the rock mineral contents is simulated by using the new model, the fitting results show that the correlation coefficient reaches 0.9984 and the standard deviation is 0.572, although the standard deviation using Growth and Exponential model is less than the two model combined with the new model fitting the standard deviation, the correlation coefficient of the new model had significantly increased, which suggesting that the, new model fitting effect is closer to the measured values of samples, it proves that the

  10. Study on the Relationship between the Depth of Spectral Absorption and the Content of the Mineral Composition of Biotite.

    PubMed

    Yang, Chang-bao; Zhang, Chen-xi; Liu, Fang; Jiang, Qi-gang

    2015-09-01

    The mineral composition of rock is one of the main factors affecting the spectral reflectance characteristics, and it's an important reason for generating various rock characteristic spectra. This study choose the rock samples provided by Jet Propulsion Laboratory (JPL) (including all kinds of mineral percentage of rocks, and spectral reflectances range from 0.35 to 2.50 μm wavelength measured by ASD spectrometer), and the various types of mineral spectral reflectances contained within the rocks are the essential data. Using the spectral linear mixture model of rocks and their minerals, firstly, a simulation study on the mixture of rock and mineral composition is achieved, the experimental results indicate that rock spectral curves using the model which based on the theory of the linear mixture are able to simulate better and preserve the absorption characteristics of various mineral components well. Then, 8 samples which contain biotite mineral are picked from the rock spectra of igneous, biotite contents and the absorption depth characteristics of spectral reflection at 2.332 μm, furthermore, a variety of linear and nonlinear normal statistical models are used to fit the relationship between the depth of absorption spectra and the content of the mineral composition of biotite, finally, a new simulation model is build up with the Growth and the Exponential curve model, and a statistical response relationship between the spectral absorption depth and the rock mineral contents is simulated by using the new model, the fitting results show that the correlation coefficient reaches 0.9984 and the standard deviation is 0.572, although the standard deviation using Growth and Exponential model is less than the two model combined with the new model fitting the standard deviation, the correlation coefficient of the new model had significantly increased, which suggesting that the, new model fitting effect is closer to the measured values of samples, it proves that the

  11. Nitrogen Doping and Thermal Stability in HfSiOxNy Studied by Photoemission and X-ray Absorption Spectroscopy

    SciTech Connect

    Toyoda, Satoshi; Okabayashi, Jun; Takahashi, Haruhiko; Oshima, Masaharu; Lee, Dong-Ick; Sun, Shiyu; sun, Steven; Pianetta, Piero A.; Ando, Takashi; Fukuda, Seiichi; /SONY, Atsugi

    2005-12-14

    We have investigated nitrogen-doping effects into HfSiO{sub x} films on Si and their thermal stability using synchrotron-radiation photoemission and x-ray absorption spectroscopy. N 1s core-level photoemission and N K-edge absorption spectra have revealed that chemical-bonding states of N-Si{sub 3-x}O{sub x} and interstitial N{sub 2}-gas-like features are clearly observed in as-grown HfSiO{sub x}N{sub y} film and they decrease upon ultrahigh vacuum (UHV) annealing due to a thermal instability, which can be related to the device performance. Annealing-temperature dependence in Hf 4f and Si 2p photoemission spectra suggests that the Hf-silicidation temperature is effectively increased by nitrogen doping into the HfSiO{sub x} although the interfacial SiO{sub 2} layer is selectively reduced. No change in valence-band spectra upon UHV annealing suggests that crystallization of the HfSiO{sub x}N{sub y} films is also hindered by nitrogen doping into the HfSiO{sub x}.

  12. UV-visible and infrared absorption spectra of gamma irradiated CuO-doped lithium phosphate, lead phosphate and zinc phosphate glasses: A comparative study

    NASA Astrophysics Data System (ADS)

    ElBatal, H. A.; Abdelghany, A. M.; ElBatal, F. H.; ElBadry, Kh. M.; Moustaffa, F. A.

    2011-10-01

    Undoped and CuO-doped lithium phosphate, lead phosphate and zinc phosphate glasses were prepared. UV-visible and infrared absorption spectra of the prepared samples were measured before and after successive gamma irradiation. Experimental optical spectra of the undoped samples reveal strong UV absorption bands, which are attributed to the presence of trace iron impurities in both the lithium and zinc phosphate glasses while the lead phosphate glass exhibits broad UV bands due to combined absorption of trace iron impurities and divalent lead ions. The CuO-doped glasses reveal an extra broad visible band due to Cu 2+ ions in octahedral coordination. The effects of gamma irradiation have been analyzed for both the sharing of all constituent components including trace iron impurities. Infrared absorption spectra of the prepared samples were investigated by the KBr disk technique. The FTIR spectra reveal main characteristic absorption bands due to different phosphate groups. The IR spectra are observed to be slightly affected by the increase of CuO in the doping level (0.2-3%) indicating the stability of the main network units.

  13. Pre-formulation studies on moisture absorption in microcrystalline cellulose using differential thermo-gravimetric analysis.

    PubMed

    Heng, Paul Wan Sia; Liew, Celine Valeria; Soh, Josephine Lay Peng

    2004-04-01

    A study on the differential thermo-gravimetric (DTG) measurements of microcrystalline cellulose (MCC) containing moisture indicated that particle size affected the amount of bound water and the flow indices. Thermal analysis of 6 commercial grades of MCC powders and MCC/water blends were performed using a thermo-gravimetric analyzer. These MCCs were differentiated by their particle size, bulk and tapped densities, crystallinity and micromeritic properties. From the DTG curves, it was observed that water loss from the MCC/water blends occurred in 3 phases which corresponded to the different states of water associated with the solid particles. Area under the third phase, or the falling rate phase, can be associated with the release of water that was physically shielded or bound to the solid. This water may be referred to as "structured" water. The large particle size grades of MCC-Avicel PH 102, PH 302 and Pharmacel 102 were found to possess smaller quantities of structured water. Water vapor sorption results revealed the monolayer capacities for the respective MCC grades. The amount of structured water appeared to correspond to the existence of bilayers on the surface of the small particle size MCC grades. Using the avalanche flow assessment method, flow properties of small particle size grades of MCC were found to be poorer as indicated by the significant correlation between their flow indices and size, in addition to the longer mean times to avalanche.

  14. Femtosecond X-ray absorption study of electron localization in photoexcited anatase TiO2

    PubMed Central

    Santomauro, F. G.; Lübcke, A.; Rittmann, J.; Baldini, E.; Ferrer, A.; Silatani, M.; Zimmermann, P.; Grübel, S.; Johnson, J. A.; Mariager, S. O.; Beaud, P.; Grolimund, D.; Borca, C.; Ingold, G.; Johnson, S.L.; Chergui, M.

    2015-01-01

    Transition metal oxides are among the most promising solar materials, whose properties rely on the generation, transport and trapping of charge carriers (electrons and holes). Identifying the latter’s dynamics at room temperature requires tools that combine elemental and structural sensitivity, with the atomic scale resolution of time (femtoseconds, fs). Here, we use fs Ti K-edge X-ray absorption spectroscopy (XAS) upon 3.49 eV (355 nm) excitation of aqueous colloidal anatase titanium dioxide nanoparticles to probe the trapping dynamics of photogenerated electrons. We find that their localization at Titanium atoms occurs in <300 fs, forming Ti3+ centres, in or near the unit cell where the electron is created. We conclude that electron localization is due to its trapping at pentacoordinated sites, mostly present in the surface shell region. The present demonstration of fs hard X-ray absorption capabilities opens the way to a detailed description of the charge carrier dynamics in transition metal oxides. PMID:26437873

  15. Femtosecond X-ray absorption study of electron localization in photoexcited anatase TiO2.

    PubMed

    Santomauro, F G; Lübcke, A; Rittmann, J; Baldini, E; Ferrer, A; Silatani, M; Zimmermann, P; Grübel, S; Johnson, J A; Mariager, S O; Beaud, P; Grolimund, D; Borca, C; Ingold, G; Johnson, S L; Chergui, M

    2015-10-06

    Transition metal oxides are among the most promising solar materials, whose properties rely on the generation, transport and trapping of charge carriers (electrons and holes). Identifying the latter's dynamics at room temperature requires tools that combine elemental and structural sensitivity, with the atomic scale resolution of time (femtoseconds, fs). Here, we use fs Ti K-edge X-ray absorption spectroscopy (XAS) upon 3.49 eV (355 nm) excitation of aqueous colloidal anatase titanium dioxide nanoparticles to probe the trapping dynamics of photogenerated electrons. We find that their localization at Titanium atoms occurs in <300 fs, forming Ti(3+) centres, in or near the unit cell where the electron is created. We conclude that electron localization is due to its trapping at pentacoordinated sites, mostly present in the surface shell region. The present demonstration of fs hard X-ray absorption capabilities opens the way to a detailed description of the charge carrier dynamics in transition metal oxides.

  16. Strontium localization in bone tissue studied by X-ray absorption spectroscopy.

    PubMed

    Frankær, Christian Grundahl; Raffalt, Anders Christer; Stahl, Kenny

    2014-02-01

    Strontium has recently been introduced as a pharmacological agent for the treatment and prevention of osteoporosis. We determined the localization of strontium incorporated into bone matrix from dogs treated with Sr malonate by X-ray absorption spectroscopy. A new approach for analyzing the X-ray absorption spectra resulted in a compositional model and allowed the relative distribution of strontium in the different bone components to be estimated. Approximately 35-45% of the strontium present is incorporated into calcium hydroxyapatite (CaHA) by substitution of some of the calcium ions occupying highly ordered sites, and at least 30% is located at less ordered sites where only the first solvation shell is resolved, suggesting that strontium is surrounded by only oxygen atoms similar to Sr(2+) in solution. Strontium was furthermore shown to be absorbed in collagen in which it obtains a higher structural order than when present in serum but less order than when it is incorporated into CaHA. The total amount of strontium in the samples was determined by inductively coupled plasma mass spectrometry, and the amount of Sr was found to increase with increasing dose levels and treatment periods, whereas the relative distribution of strontium among the different components appears to be independent of treatment period and dose level.

  17. Study of the absorption coefficient of alpha particles to lower hybrid waves in tokamak

    SciTech Connect

    Wang, Jianbing Zhang, Xianmei Yu, Limin Zhao, Xiang

    2014-02-12

    Part of the energy of the Lower Hybrid (LH) waves may be absorbed by the α particles via the so-called perpendicular landau damping mechanism, which depends on various parameters of fusion reactors and the LH waves. In this article, we calculate the absorption coefficient γ{sub α} of LH waves due to α particles. Results show that, the γ{sub α} increases with the parallel refraction index n{sub ∥} while deceases with increasing the frequency of LH waves ω{sub LH} over a wide range. Higher background plasma temperature and toroidal magnetic field will increase the absorption, and there is a peak value of γ{sub α} when n{sub e}≈8×10{sup 19}m{sup −3} for ITER-like scenario. The thermal corrections to the cold plasma dispersion relation will change the damping rate to a certain extent under some specific conditions. We have also evaluated the fraction of LH power absorbed by the alpha particles, η ≈ 0.47% and 4.1% for an LH frequency of 5 GHz and 3.7 GHz respectively for ITER-like scenario. This work gives the effective reference for the choice of parameters of future fusion reactors.

  18. A comparison of pharmacokinetic methods for in vivo studies of nonmediated glucose absorption.

    PubMed

    Napier, Kathryn R; McWhorter, Todd J; Fleming, Patricia A

    2012-01-01

    Two pharmacokinetic methods are used primarily to assess systematic bioavailability of orally dosed water-soluble compounds in vivo, but there have been no direct comparisons of the estimates obtained. The "area under the curve" (AUC) method employs a single oral dose of probe compound(s) followed by multiple blood sampling to obtain plasma concentration time curves. Separate injection of probe(s) followed by multiple blood sampling is used to calculate fractional elimination rate (K(el)) and distribution pool space (S). The "steady state feeding" method relies on ad lib. feeding of a marked diet, with a single blood sample taken to measure steady state feeding concentration of probe(s); K(el) is estimated from the decline in probe concentration in excreta after injection, with a single blood sample taken to estimate S. We compared these methods directly in the Australian red wattlebird (Anthochaera carnunculata), measuring absorption of (3)H-L-glucose. The K(el) values estimated using the steady state feeding protocol were significantly higher, and estimates of S and bioavailability consequently lower, compared with the AUC protocol. The AUC method relies on fewer assumptions and allows simultaneous comparisons of absorption by mediated and nonmediated (i.e., paracellular) mechanisms but cannot be easily applied to freely feeding animals. The steady state feeding method allows work with smaller species and exploration of the effects of feeding on nutrient uptake but requires careful attention to the validity of assumptions that increase error in the calculations.

  19. Application of Absorption Spectrophotometry to Study the Seasonal Dynamics of Dissolved Organic Matter in Arctic Streams

    NASA Astrophysics Data System (ADS)

    Bulygina, E. B.; Bunn, A. G.; Chandra, S.; Davydova, A.; Frey, K. E.; Russell-Roy, L.; Schade, J. D.; Sobczak, W. V.; Spektor, V. V.; Zimov, S. A.; Holmes, R.

    2009-12-01

    Climate change is impacting numerous aspects of the Arctic, influencing the contemporary carbon cycle as well as the fate of ancient carbon contained in permafrost. Through hydrologic connections, changes on land are propagated to aquatic and eventually marine ecosystems. Dissolved organic matter (DOM) fluxes are a primary link between the terrestrial-aquatic-marine carbon cycles. We used absorption spectrophotometry (UV-VIS scans from 200-800 nm) to investigate seasonality, quality, and quantity of DOM in tributaries of the Kolyma River in the Siberian Arctic during spring and summer of 2009. Spectral slopes as well as absorbances at specific wavelengths were compared to DOC concentrations, with particular emphasis on seasonal variability of organic matter quantity and quality. Incubation experiments were also conducted to examine photodegradation and microbial consumption of DOM on waters collected in 2009 from the Kolyma watershed and from the Kuparuk and Atigun rivers on the North Slope of Alaska. In contrast to chemical methods to quantify and characterize DOC or its constituents, absorption spectrophotometry provides a relatively simple means of characterizing a large number of samples, even at remote Arctic locations.

  20. Strontium localization in bone tissue studied by X-ray absorption spectroscopy.

    PubMed

    Frankær, Christian Grundahl; Raffalt, Anders Christer; Stahl, Kenny

    2014-02-01

    Strontium has recently been introduced as a pharmacological agent for the treatment and prevention of osteoporosis. We determined the localization of strontium incorporated into bone matrix from dogs treated with Sr malonate by X-ray absorption spectroscopy. A new approach for analyzing the X-ray absorption spectra resulted in a compositional model and allowed the relative distribution of strontium in the different bone components to be estimated. Approximately 35-45% of the strontium present is incorporated into calcium hydroxyapatite (CaHA) by substitution of some of the calcium ions occupying highly ordered sites, and at least 30% is located at less ordered sites where only the first solvation shell is resolved, suggesting that strontium is surrounded by only oxygen atoms similar to Sr(2+) in solution. Strontium was furthermore shown to be absorbed in collagen in which it obtains a higher structural order than when present in serum but less order than when it is incorporated into CaHA. The total amount of strontium in the samples was determined by inductively coupled plasma mass spectrometry, and the amount of Sr was found to increase with increasing dose levels and treatment periods, whereas the relative distribution of strontium among the different components appears to be independent of treatment period and dose level. PMID:24101232

  1. X-ray-absorption-spectroscopy study of manganese-containing compounds and photosynthetic spinach chloroplasts

    SciTech Connect

    Kirby, J.A.

    1981-05-01

    The manganese sites in chloroplasts, long thought to be involved in photosynthetic oxygen evolution have been examined and partially characterized by x-ray Absorption Spectroscopy (XAS) using synchrotron radiation. The local environment about the manganese atoms is estimated from an analysis of the extended X-ray Absorption Fine Structure (EXAFS). Comparisons with and simulations of the manganese EXAFS for several reference compounds leads to a model in which the chloroplast manganese atoms are contained in a binuclear complex similar to di-u-oxo-tetrakis-(2,2'-bipyridine) dimanganese. It is suggested that the partner metal is another manganese. The bridging ligands are most probably oxygen. The remaining manganese ligands are carbon, oxygen, or nitrogen. A roughly linear correlation between the X-ray K edge onset energy and the coordination charge of a large number of manganese coordination complexes and compounds has been developed. Entry of the chloroplast manganese edge energy onto this correlation diagram establishes that the active pool of manganese is in an oxidation state greater than +2.

  2. Multi-Satellite Observations of Cygnus X-1 to Study the Focused Wind and Absorption Dips

    NASA Technical Reports Server (NTRS)

    Hanke, Manfred; Wilms, Joern; Boeck, Moritz; Nowak, Michael A.; Schultz, Norbert S.; Pottschmidt, Katja; Lee, Julia C.

    2008-01-01

    High-mass X-ray binary systems are powered by the stellar wind of their donor stars. The X-ray state of Cygnus X-1 is correlated with the properties of the wind which defines the environment of mass accretion. Chandra-HETGS observations close to orbital phase 0 allow for an analysis of the photoionzed stellar wind at high resolution, but because of the strong variability due to soft X-ray absorption dips, simultaneous multi-satellite observations are required to track and understand the continuum, too. Besides an earlier joint Chandra and RXTE observation, we present first results from a recent campaign which represents the best broad-band spectrum of Cyg X-1 ever achieved: On 2008 April 18/19 we observed this source with XMM-Newton, Chandra, Suzaku, RXTE, INTEGRAL, Swift, and AGILE in X- and gamma-rays, as well as with VLA in the radio. After superior conjunction of the black hole, we detect soft X-ray absorption dips likely due to clumps in the focused wind covering greater than or equal to 95% of the X-ray source, with column densities likely to be of several 10(exp 23) cm(exp -2), which also affect photon energies above 20 keV via Compton scattering.

  3. Study of self-defocusing, reverse saturable absorption and photoluminescence in anthraquinone PMMA nanocomposite film.

    PubMed

    Zafar, Sana; Khan, Zahid H; Khan, Mohd Shahid

    2014-01-24

    The nanocomposite film of 1,5-diamino-9,10-anthraquinone in poly methyl methacrylate has been fabricated by following guest-host method. Intense reverse saturable absorption and self-defocusing effect have been investigated by employing Z-scan technique with low power CW laser at 532 nm with different intensities for the dye-polymer composite film. The estimated values of nonlinear absorption coefficient β, nonlinear refractive index n2 and third order susceptibility χ((3)) of the composite film are of the order of 10(-3) (m/W), 10(-11) (m(2)/W) and 10(-4) (esu), respectively. The dye molecules have been encapsulated uniformly between molecules of polymer as a nanocomposite with average roughness ∼7.96 nm as characterized by AFM technique. The nanocomposite film also exhibited strong photoluminescence emission when excited with 532 nm. The second order hyperpolarizability of composite film has also been estimated. The evaluated figure of merit W having a value greater than 1, and the results obtained suggest that the composite film of 1,5-diamino-9,10-anthraquinone-PMMA has potential applications in nonlinear optical devices.

  4. Polarization dependent two-photon absorption spectroscopy on a naturally occurring biomarker (curcumin) in solution: A theoretical-experimental study

    NASA Astrophysics Data System (ADS)

    Tiburcio-Moreno, Jose A.; Alvarado-Gil, J. J.; Diaz, Carlos; Echevarria, Lorenzo; Hernández, Florencio E.

    2013-09-01

    We report on the theoretical-experimental analysis of the two-photon absorption (TPA) and two-photon circular-linear dichroism (TPCLD) spectra of (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione (curcumin) in Tetrahydrofuran (THF) solution. The measurement of the full TPA spectrum of this molecule reveals a maximum TPA cross-section at 740 nm, i.e. more than 10 times larger than the maximum reported in the literature at 800 nm for the application of curcumin in bioimaging. The TPCLD spectrum exposes the symmetry of the main excited-states involved in the two-photon excitation process. TD-DFT calculations support the experimental results. These outcomes are expected to expand the application of natural-occurring dyes in bioimaging.

  5. Anisotropy of chemical bonds in collagen molecules studied by X-ray absorption near-edge structure (XANES) spectroscopy.

    PubMed

    Lam, Raymond S K; Metzler, Rebecca A; Gilbert, Pupa U P A; Beniash, Elia

    2012-03-16

    Collagen type I fibrils are the major building blocks of connective tissues. Collagen fibrils are anisotropic supramolecular structures, and their orientation can be revealed by polarized light microscopy and vibrational microspectroscopy. We hypothesized that the anisotropy of chemical bonds in the collagen molecules, and hence their orientation, might also be detected by X-ray photoemission electron spectromicroscopy (X-PEEM) and X-ray absorption near-edge structure (XANES) spectroscopy, which use linearly polarized synchrotron light. To test this hypothesis, we analyzed sections of rat-tail tendon, composed of parallel arrays of collagen fibrils. The results clearly indicate that XANES-PEEM is sensitive to collagen fibril orientation and, more specifically, to the orientations of carbonyl and amide bonds in collagen molecules. These data suggest that XANES-PEEM is a promising technique for characterizing the chemical composition and structural organization at the nanoscale of collagen-based connective tissues, including tendons, cartilage, and bone.

  6. Significance of active ion transport in transalveolar water absorption: a study on isolated rat lung.

    PubMed

    Basset, G; Crone, C; Saumon, G

    1987-03-01

    1. Experiments were performed on isolated rat lungs perfused with Ringer solutions containing red cells. The goal was to clarify the role of active transport of Na+ for the absorption of fluid across the alveolar membrane, and to characterize active and passive pathways. 2. Partially degassed lungs were filled with 5 ml of an isotonic Ringer solution containing 125I-labelled albumin in order to calculate the fluid movement, and 22Na+ or 36Cl- for measurement of ion fluxes. Passive non-electrolyte permeability was determined in all experiments using [3H]mannitol. 3. The average rate of fluid absorption in phosphate-buffered instillates was 134 nl/s (S.E., 18.5; n = 14). With ouabain (10(-4) M) in the perfusate the fluid absorption rate fell to 57 nl/s (S.E., 8.2; n = 18). Amiloride (10(-3)-10(-4) M) in the instillate reduced the absorption to 75 nl/s (S.E., 8.6; n = 16). These results show that fluid absorption depends on transcellular transport of Na+ and that alveolar epithelial cells have a Na+ entry system in the luminal membrane and a Na+-K+ pump in the abluminal membrane. 4. The transcellular ion transport operates in parallel with a paracellular, passive leak that allows mannitol to pass with a permeability surface area product of 1.2 X 10(-4) ml/s, corresponding to a permeability coefficient of 2.4 X 10(-8) cm/s, assuming an alveolar surface area of 5000 cm2. 5. The passive fluxes of Na+ were 9.4 pmol/(cm2s) (S.E., 1.3; n = 25) in the direction from alveoli to perfusate and 8.0 pmol/(cm2s) (S.E., 0.86; n = 6) from perfusate to plasma. The passive fluxes of Cl- in the two directions were not significantly different either. Thus the transalveolar electrical potential difference is too small to affect ion movements measurably. 6. The passive permeability to Na+ was 6.7 X 10(-8) cm/s and to Cl- was 10.2 X 10(-8) cm/s (alveolar surface area assumed to be 5000 cm2). The ratio of the permeabilities is close to the ratio of the diffusion coefficients in free

  7. Ascorbic acid absorption in Crohn's disease. Studies using L-(carboxyl-/sup 14/C)ascorbic acid

    SciTech Connect

    Pettit, S.H.; Shaffer, J.L.; Johns, C.W.; Bennett, R.J.; Irving, M.H.

    1989-04-01

    Total body pool and intestinal absorption of ascorbic acid were studied in 12 patients undergoing operation for Crohn's disease (six with fistulae and six without) and in six control patients undergoing operation for reasons other than Crohn's disease. L-(carboxyl-/sup 14/C)Ascorbic acid, 0.19-0.40 megabecquerels (MBq), was given orally. After a period of equilibration, the labeled ascorbic acid was flushed out of the patient's body tissues using large doses of unlabeled ascorbic acid. Intestinal absorption of ascorbic acid, assessed from the total cumulative urinary /sup 14/C recovery, was found to be similar in patients with fistulizing Crohn's disease (73.9 +/- 8.45%), those without fistulas (72.8 +/- 11.53%), and in controls (80.3 +/- 8.11%). Total body pools of ascorbic acid, calculated using the plasma /sup 14/C decay curves, were similar in patients with Crohn's disease with fistulas (17.1 +/- 5.91 mg/kg), patients without fistulas (9.6 +/- 3.58 mg/kg), and in controls (13.3 +/- 4.28 mg/kg). The results indicate that ascorbic acid absorption is normal in patients with both fistulizing and nonfistulizing Crohn's disease. The results suggest that routine supplements of vitamin C are not necessary unless oral ascorbic acid intake is low.

  8. A comparative study of one- and two-photon absorption properties of pyrene and perylene diimide derivatives.

    PubMed

    Liu, Xiao-Ting; Zhao, Yang; Ren, Ai-Min; Feng, Ji-Kang

    2011-06-01

    Two important classes of organic molecules, perylene diimide (PDI) and pyrene derivatives have been found to possess relatively excellent photophysical and photochemical properties and especially high two-photon absorption cross sections (δ(T)(max)). Herein, one-photon absorption (OPA) and two-photon absorption (TPA) properties of some novel PDI and pyrene derivatives were comparatively investigated by the density functional theory (DFT) and Zerner's intermediate neglect of differential overlap (ZINDO) methods. The calculated results indicate that with respect to PDI derivatives, the maximum TPA cross-sections for pyrene compounds increase obviously, the maximum peaks of OPA and TPA spectra are blue-shifted, the ΔE(H-L) (energy gaps between the highest occupied orbital and the lowest unoccupied orbital) increase. The different π-conjugated bridges (fluorene and pyrene) and terminal groups have slight effect on the OPA properties. Nevertheless, the molecules bearing 1,6-disubstituted pyrene as the π-conjugated bridge display the largest δ(T)(max) in both series of compounds 3 and 4. Moreover, the δ(T)(max) values of molecules with benzothiazole-substituted terminal groups are larger than those of the molecules with diphenylamine, which is attributed to benzothiazole groups stabilizing the planarity of the branch parts, extending the conjugated length and increasing the π-electron delocalized extent. Furthermore, the molecular size has marked effect on OPA and TPA properties. It is worthy to mention that cruciform 8 displays the largest δ(T)(max) among all the studied molecules in the range of 600-1100 nm. This research could provide a better understanding for the origin of the linear and nonlinear optical properties, and it would be helpful to gain more information about designing two-photon absorption materials with large δ(T)(max).

  9. Study of picosecond processes of an intercalated dipyridophenazine Cr(III) complex bound to defined sequence DNAs using transient absorption and time-resolved infrared methods.

    PubMed

    Devereux, Stephen J; Keane, Páraic M; Vasudevan, Suni; Sazanovich, Igor V; Towrie, Michael; Cao, Qian; Sun, Xue-Zhong; George, Michael W; Cardin, Christine J; Kane-Maguire, Noel A P; Kelly, John M; Quinn, Susan J

    2014-12-21

    Picosecond transient absorption (TA) and time-resolved infrared (TRIR) measurements of rac-[Cr(phen)2(dppz)](3+) () intercalated into double-stranded guanine-containing DNA reveal that the excited state is very rapidly quenched. As no evidence was found for the transient electron transfer products, it is proposed that the back electron transfer reaction must be even faster (<3 ps).

  10. X-ray absorption spectroscopy study in the BaFe2As2 family

    NASA Astrophysics Data System (ADS)

    Koh, Yoonyoung; Kim, Yeongkwan; Yang, Wanli; Kim, Changyoung

    2012-02-01

    One of the representative Fe-based superconductor families, BaFe2As2 (Tc =38K) is a semimetal with the same number of hole and electron carriers, and is in a spin density wave state below 139K. It has been reported that various types of ``doped'' BaFe2As2 systems can obtained by substitution of Ba, Fe, and As atoms. However, an important issue has been recently raised regarding whether each type of substitution indeed induces effective charge doping or not. It is essential to clarify whether each type of substitution indeed induce an effective doping in BaFe2As2 system. To clarify the carrier doping issue, we performed high resolution X-ray absorption spectroscopy experiment on Ba(Fe,Co)2As2, Ba(Fe,Ru)2As2, BaFe2(As,P)2 which are representative ``doped'' BaFe2As2 systems.

  11. Studies of Y-Ba-Cu-O single crystals by x-ray absorption spectroscopy

    SciTech Connect

    Krol, A.; Ming, Z.H.; Kao, Y.H.; Nuecker, N.; Roth, G.; Fink, J.; Smith, G.C.; Erband, A.; Mueller-Vogt, G.; Karpinski, J.; Kaldis, E.; Schoenmann, K.

    1992-02-01

    The symmetry and density of unoccupied states of YBa{sub 2}Cu{sub 3}O{sub 7} YBa{sub 2}Cu{sub 4}O{sub 8} have been investigated by orientation dependent x-ray absorption spectroscopy on the O 1s edge using a bulk-sensitive fluorescence-yield-detection method. It has been found that the O 2p holes are distributed equally between the CuO{sub 2} planes and CuO chains and that the partial density of unoccupied O 2p states in the CuO{sub 2} planes are identical in both systems investigated. The upper Hubbard band has been observed in the planes but not in the chains in both systems. 18 refs.

  12. Correcting for Telluric Absorption: Methods, Case Studies, and Release of the TelFit Code

    NASA Astrophysics Data System (ADS)

    Gullikson, Kevin; Dodson-Robinson, Sarah; Kraus, Adam

    2014-09-01

    Ground-based astronomical spectra are contaminated by the Earth's atmosphere to varying degrees in all spectral regions. We present a Python code that can accurately fit a model to the telluric absorption spectrum present in astronomical data, with residuals of ~3%-5% of the continuum for moderately strong lines. We demonstrate the quality of the correction by fitting the telluric spectrum in a nearly featureless A0V star, HIP 20264, as well as to a series of dwarf M star spectra near the 819 nm sodium doublet. We directly compare the results to an empirical telluric correction of HIP 20264 and find that our model-fitting procedure is at least as good and sometimes more accurate. The telluric correction code, which we make freely available to the astronomical community, can be used as a replacement for telluric standard star observations for many purposes.

  13. Xe nanocrystals in Si studied by x-ray absorption fine structure spectroscopy

    SciTech Connect

    Faraci, Giuseppe; Pennisi, Agata R.; Zontone, Federico

    2007-07-15

    The structural configuration of Xe clusters, obtained by ion implantation in a Si matrix, has been investigated as a function of the temperature by x-ray absorption fine structure spectroscopy. In contrast with previous results, we demonstrate that an accurate analysis of the data, using high order cumulants, gives evidence of Xe fcc nanocrystals at low temperature, even in the as-implanted Si; expansion of the Xe lattice is always found as a function of the temperature, with no appreciable overpressure. We point out that a dramatic modification of these conclusions can be induced by an incorrect analysis using standard symmetrical pair distribution function G(r); for this reason, all the results were checked by x-ray diffraction measurements.

  14. [Air pollutants study by differential optical absorption spectroscopy with transmit-receive fibers].

    PubMed

    Wei, Yong-Jie; Geng, Xiao-Juan; Chen, Bo; Liu, Cui-Cui; Chen, Wen-Liang

    2013-10-01

    The differential optical absorption spectroscopy system is presented to monitor air pollutants, such as SO2, NO2, etc. The system employs a reflective telescope to collimate light source and focus absorbed light. A combined transmitting and receiving fiber bundle is set to the focus of a concave mirror. A Xenon lamp works as the light source. The light is coupled into the transmitting fiber, and then collimated by the reflective telescope system. After absorbed by the pollutants, the light is reflected by a pyramid mirror far away the telescope. Then the absorbed light is incident on the concave mirror the second time, and focused on the focal plane again. The receiving fiber induces the light which carries the information of the measured gas into a spectrometer. We can get the concentration of the pollutants by DOAS algorithm. Experimental results show that the proposed method can be adopted to measure some pollutants in air quality monitoring.

  15. Correcting for telluric absorption: Methods, case studies, and release of the TelFit code

    SciTech Connect

    Gullikson, Kevin; Kraus, Adam; Dodson-Robinson, Sarah

    2014-09-01

    Ground-based astronomical spectra are contaminated by the Earth's atmosphere to varying degrees in all spectral regions. We present a Python code that can accurately fit a model to the telluric absorption spectrum present in astronomical data, with residuals of ∼3%-5% of the continuum for moderately strong lines. We demonstrate the quality of the correction by fitting the telluric spectrum in a nearly featureless A0V star, HIP 20264, as well as to a series of dwarf M star spectra near the 819 nm sodium doublet. We directly compare the results to an empirical telluric correction of HIP 20264 and find that our model-fitting procedure is at least as good and sometimes more accurate. The telluric correction code, which we make freely available to the astronomical community, can be used as a replacement for telluric standard star observations for many purposes.

  16. Note: Sample chamber for in situ x-ray absorption spectroscopy studies of battery materials

    SciTech Connect

    Pelliccione, CJ; Timofeeva, EV; Katsoudas, JP; Segre, CU

    2014-12-01

    In situ x-ray absorption spectroscopy (XAS) provides element-specific characterization of both crystalline and amorphous phases and enables direct correlations between electrochemical performance and structural characteristics of cathode and anode materials. In situ XAS measurements are very demanding to the design of the experimental setup. We have developed a sample chamber that provides electrical connectivity and inert atmosphere for operating electrochemical cells and also accounts for x-ray interactions with the chamber and cell materials. The design of the sample chamber for in situ measurements is presented along with example XAS spectra from anode materials in operating pouch cells at the Zn and Sn K-edges measured in fluorescence and transmission modes, respectively. (C) 2014 AIP Publishing LLC.

  17. [Air pollutants study by differential optical absorption spectroscopy with transmit-receive fibers].

    PubMed

    Wei, Yong-Jie; Geng, Xiao-Juan; Chen, Bo; Liu, Cui-Cui; Chen, Wen-Liang

    2013-10-01

    The differential optical absorption spectroscopy system is presented to monitor air pollutants, such as SO2, NO2, etc. The system employs a reflective telescope to collimate light source and focus absorbed light. A combined transmitting and receiving fiber bundle is set to the focus of a concave mirror. A Xenon lamp works as the light source. The light is coupled into the transmitting fiber, and then collimated by the reflective telescope system. After absorbed by the pollutants, the light is reflected by a pyramid mirror far away the telescope. Then the absorbed light is incident on the concave mirror the second time, and focused on the focal plane again. The receiving fiber induces the light which carries the information of the measured gas into a spectrometer. We can get the concentration of the pollutants by DOAS algorithm. Experimental results show that the proposed method can be adopted to measure some pollutants in air quality monitoring. PMID:24409736

  18. A low-cost portable fibre-optic spectrometer for atmospheric absorption studies

    NASA Astrophysics Data System (ADS)

    Bailey, J.

    2013-01-01

    A compact and portable solar absorption spectrometer based on fibre-optic Fabry-Perot technology has been built and tested. The instrument weighs only 4.2 kg and operates from 5 W of power from internal batteries. It provides spectroscopy over the range from 5980-6580 cm-1 (1.52-1.67 μm) at a resolution of 0.16 cm-1. The input to the spectrometer is via single-mode optical fibre from a solar tracking system. Spectral scanning is carried out with a piezoelectrically scanned fibre Fabry-Perot tunable filter. Software has been developed to calibrate the spectra in wavelength and relative flux. The signal to noise ratio in solar spectra is about 700 for a spectrum scanned at 200 milliseconds per spectral point. The techniques used should be capable of being adapted to a range of wavelengths and to higher or lower resolutions.

  19. [Studies on the remote measurement of the emission of formaldehyde by mobile differential optical absorption spectroscopy].

    PubMed

    Wu, Feng-Cheng; Xie, Pin-Hua; Li, Ang; Si, Fu-Qi; Dou, Ke; Liu, Yu; Xu, Jin; Wang, Jie

    2011-11-01

    Formaldehyde (HCHO) is the most abundant carbonyl compounds that play an important role in atmospheric chemistry and photochemical reactions. Formaldehyde is an important indicator of atmospheric reactivity and urban atmospheric aerosol precursors. In the present paper, the emission of formaldehyde from chemical area was measured using the mobile differential optical absorption spectroscopy (DOAS). This instrument uses the zenith scattered sunlight as the light source with successful sampling in the area loop. Vertical column density was retrieved by this system, combined with the meteorological wind field and car speed information, the emission of formaldehyde in the area was estimated. The authors carried out the measuring experiment in one chemical plant in Beijing using this technology. The result showed that the average value of the flux of formaldehyde in this area was 605 kg x h(-1) during the measuring period. PMID:22242505

  20. Light absorption in conical silicon particles.

    PubMed

    Bogdanowicz, J; Gilbert, M; Innocenti, N; Koelling, S; Vanderheyden, B; Vandervorst, W

    2013-02-11

    The problem of the absorption of light by a nanoscale dielectric cone is discussed. A simplified solution based on the analytical Mie theory of scattering and absorption by cylindrical objects is proposed and supported by the experimental observation of sharply localized holes in conical silicon tips after high-fluence irradiation. This study reveals that light couples with tapered objects dominantly at specific locations, where the local radius corresponds to one of the resonant radii of a cylindrical object, as predicted by Mie theory.

  1. Study of the Photodegradation Process of Vitamin E Acetate by Optical Absorption, Fluorescence, and Thermal Lens Spectroscopy

    NASA Astrophysics Data System (ADS)

    Tiburcio-Moreno, J. A.; Marcelín-Jiménez, G.; Leanos-Castaneda, O. L.; Yanez-Limon, J. M.; Alvarado-Gil, J. J.

    2012-11-01

    The stability of vitamin E acetate exposed to ultraviolet (UV) light was studied using three spectroscopic methods. An ethanol solution of vitamin E acetate was treated with either UVC light (254 nm) or UVA light (366 nm) during a period of 10 min followed by a study of UV-Vis optical absorption, then by fluorescence spectroscopy excitation by UV radiation at either 290 nm or 368 nm and, finally the solution was studied by thermal lens spectroscopy. Immediately, the same solution of vitamin E acetate was subjected to the UV irradiation process until completion of six periods of irradiation and measurements. UVC light treatment induced the appearance of a broad absorption band in the range of 310 nm to 440 nm with maximum absorbance at 368 nm, which progressively grew as the time of the exposure to UVC light increases. In contrast, UVA light treatment did not affect the absorption spectra of vitamin E acetate. Fluorescence spectra of the vitamin E acetate (without UV light treatment) showed no fluorescence when excited with 368 nm while exciting with 290 nm, an intense and broad emission band (300 nm to 440 nm) with a maximum at 340 nm appeared. When vitamin E acetate was treated with UVC light, this emission band progressively decreased as the time of the UVC light irradiation grew. No signal from UV-untreated vitamin E acetate could be detected by the thermal lens method. Interestingly, as the time of the UVC light treatment increased, the thermal lens signal progressively grew. Additional experiments performed to monitor the time evolution of the process during continuous UVC treatment of the vitamin E acetate using thermal lens spectroscopy exhibited a progressive increase of the thermal lens signal reaching a plateau at about 8000 s. This study shows that the vitamin E acetate is stable when it is irradiated with UVA light, while the irradiation with UVC light induces the formation of photodegradation products. Interestingly, this photodegradation process using

  2. Inhibition by natural dietary substances of gastrointestinal absorption of starch and sucrose in rats and pigs: 1. Acute studies.

    PubMed

    Preuss, Harry G; Echard, Bobby; Bagchi, Debasis; Stohs, Sidney

    2007-08-06

    Rapid gastrointestinal absorption of refined carbohydrates (CHO) is linked to perturbed glucose-insulin metabolism that is, in turn, associated with many chronic health disorders. We assessed the ability of various natural substances, commonly referred to as "CHO blockers," to influence starch and sucrose absorption in vivo in ninety-six rats and two pigs. These natural enzyme inhibitors of amylase/sucrase reportedly lessen breakdown of starches and sucrose in the gastrointestinal tract, limiting their absorption. To estimate absorption, groups of nine SD rats were gavaged with water or water plus rice starch and/or sucrose; and circulating glucose was measured at timed intervals thereafter. For each variation in the protocol a total of at least nine different rats were studied with an equal number of internal controls on three different occasions. The pigs rapidly drank CHO and inhibitors in their drinking water. In rats, glucose elevations above baseline over four hours following rice starch challenge as estimated by area-under-curve (AUC) were 40%, 27%, and 85% of their internal control after ingesting bean extract, hibiscus extract, and l-arabinose respectively in addition to the rice starch. The former two were significantly different from control. L-Arabinose virtually eliminated the rising circulating glucose levels after sucrose challenge, whereas hibiscus and bean extracts were associated with lesser decreases than l-arabinose that were still significantly lower than control. The glucose elevations above baseline over four hours in rats receiving sucrose (AUC) were 51%, 43% and 2% of control for bean extract, hibiscus extract, and L-arabinose, respectively. Evidence for dose-response of bean and hibiscus extracts is reported. Giving the natural substances minus CHO challenge caused no significant changes in circulating glucose concentrations, indicating no major effects on overall metabolism. A formula combining these natural products significantly

  3. Geometric Structure Determination of N694C Lipoxygenase: a Comparative Near-Edge X-Ray Absorption Spectroscopy And Extended X-Ray Absorption Fine Structure Study

    SciTech Connect

    Sarangi, R.; Hocking, R.K.; Neidig, M.L.; Benfatto, M.; Holman, T.R.; Solomon, E.I.; Hodgson, K.O.; Hedman, B.

    2009-05-27

    The mononuclear nonheme iron active site of N694C soybean lipoxygenase (sLO1) has been investigated in the resting ferrous form using a combination of Fe-K-pre-edge, near-edge (using the minuit X-ray absorption near-edge full multiple-scattering approach), and extended X-ray absorption fine structure (EXAFS) methods. The results indicate that the active site is six-coordinate (6C) with a large perturbation in the first-shell bond distances in comparison to the more ordered octahedral site in wild-type sLO1. Upon mutation of the asparigine to cystiene, the short Fe-O interaction with asparigine is replaced by a weak Fe-(H{sub 2}O), which leads to a distorted 6C site with an effective 5C ligand field. In addition, it is shown that near-edge multiple scattering analysis can give important three-dimensional structural information, which usually cannot be accessed using EXAFS analysis. It is further shown that, relative to EXAFS, near-edge analysis is more sensitive to partial coordination numbers and can be potentially used as a tool for structure determination in a mixture of chemical species.

  4. Energy Absorption in a Shear-Thickening Fluid

    NASA Astrophysics Data System (ADS)

    Afeshejani, Seyed Hossein Amiri; Sabet, Seyed Ali Reza; Zeynali, Mohammad Ebrahim; Atai, Mohammad

    2014-12-01

    This study investigates energy absorption in a shear-thickening fluid (STF) containing nano-size fumed silica as a suspending material. Fumed silica particles in 20, 30, and 40 wt.% were used in polyethylene glycol and ethylene glycol. Three areas were studied, namely: energy absorption of STF pre-impregnated aramid fabric, neat STF under high-velocity impact, and flexible foam soaked in STF under low-velocity drop weight impact. Results showed moderate energy absorption in STF pre-impregnated aramid fabric compared to dry fabric. High-velocity impact tests also revealed higher fabric weave density, and multi-layered target plays vital role in optimum performance of SFT impregnated targets. High-velocity impact tests on the neat STF showed good energy absorption at velocities near STF critical shear rate. Low-velocity drop weight impact test on flexible foam soaked in STF also indicated significant energy absorption.

  5. Structural Studies of the Alzheimer's Amyloid Precursor Protein Copper-Binding Domain Reveal How It Binds Copper Ions

    SciTech Connect

    Kong, G.K.-W.; Adams, J.J.; Harris, H.H.; Boas, J.F.; Curtain, C.C.; Galatis, D.; Master, C.L.; Barnham, K.J.; McKinstry, W.J.; Cappai, R.; Parker, M.W.; /Sydney U. /Monash U. /Melbourne U.

    2007-07-09

    Alzheimer's disease (AD) is the major cause of dementia. Amyloid {beta} peptide (A {beta}), generated by proteolytic cleavage of the amyloid precursor protein (APP), is central to AD pathogenesis. APP can function as a metalloprotein and modulate copper (Cu) transport, presumably via its extracellular Cu-binding domain (CuBD). Cu binding to the CuBD reduces A{beta} levels, suggesting that a Cu mimetic may have therapeutic potential. We describe here the atomic structures of apo CuBD from three crystal forms and found they have identical Cu-binding sites despite the different crystal lattices. The structure of Cu[2+]-bound CuBD reveals that the metal ligands are His147, His151, Tyrl68 and two water molecules, which are arranged in a square pyramidal geometry. The site resembles a Type 2 non-blue Cu center and is supported by electron paramagnetic resonance and extended X-ray absorption fine structure studies. A previous study suggested that Met170 might be a ligand but we suggest that this residue plays a critical role as an electron donor in CuBDs ability to reduce Cu ions. The structure of Cu[+]-bound CuBD is almost identical to the Cu[2+]-bound structure except for the loss of one of the water ligands. The geometry of the site is unfavorable for Cu[+], thus providing a mechanism by which CuBD could readily transfer Cu ions to other proteins.

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

    SciTech Connect

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

    2007-01-01

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

  7. Chlorogenic acid is poorly absorbed, independently of the food matrix: A Caco-2 cells and rat chronic absorption study.

    PubMed

    Dupas, Coralie; Marsset Baglieri, Agnès; Ordonaud, Claire; Tomé, Daniel; Maillard, Marie-Noëlle

    2006-11-01

    According to epidemiologic studies, dietary phenolic antioxidants, such as chlorogenic acid (CQA), could prevent coronary heart diseases and some cancers. Coffee is the main source of CQA in the human diet. The aim of this study was to assess the effect of usual coffee consumption conditions, such as the addition of milk, on CQA bioavailability. Interactions between CQA and milk proteins were shown, using an ultrafiltration technique. These interactions proved to be slightly disrupted during an in vitro digestion process. CQA absorption and bioavailability were then studied in vitro using a Caco-2 cell model coupled with an in vitro digestion process, and in vivo, in a chronic supplementation study in which rats were fed daily coffee or coffee and milk for 3 weeks. Both experiments showed that CQA absorption under its native form is weak, but unmodified by the addition of milk proteins, and slightly reduced by the addition of Maillard reaction products. These data show that there are some interactions between coffee phenolics and milk proteins, but these have no significant effect on CQA bioavailability from coffee in the rat. CQA is poorly absorbed under its native form in the body, when ingested in a realistic food matrix. PMID:17054098

  8. A reaction cell with sample laser heating for in situ soft X-ray absorption spectroscopy studies under environmental conditions.

    PubMed

    Escudero, Carlos; Jiang, Peng; Pach, Elzbieta; Borondics, Ferenc; West, Mark W; Tuxen, Anders; Chintapalli, Mahati; Carenco, Sophie; Guo, Jinghua; Salmeron, Miquel

    2013-05-01

    A miniature (1 ml volume) reaction cell with transparent X-ray windows and laser heating of the sample has been designed to conduct X-ray absorption spectroscopy studies of materials in the presence of gases at atmospheric pressures. Heating by laser solves the problems associated with the presence of reactive gases interacting with hot filaments used in resistive heating methods. It also facilitates collection of a small total electron yield signal by eliminating interference with heating current leakage and ground loops. The excellent operation of the cell is demonstrated with examples of CO and H2 Fischer-Tropsch reactions on Co nanoparticles.

  9. A study on transmission characteristics and specific absorption rate using impedance-matched electrodes for various human body communication.

    PubMed

    Machida, Yuta; Yamamoto, Takahiko; Koshiji, Kohji

    2013-01-01

    Human body communication (HBC) is a new communication technology that has presented potential applications in health care and elderly support systems in recent years. In this study, which is focused on a wearable transmitter and receiver for HBC in a body area network (BAN), we performed electromagnetic field analysis and simulation using the finite difference time domain (FDTD) method with various models of the human body. Further we redesigned a number of impedance-matched electrodes to allow transmission without stubs or transformers. The specific absorption rate (SAR) and transmission characteristics S21 of these electrode structures were compared for several models.

  10. Interaction of chlorpromazine and trifluoperazine with ionic micelles: electronic absorption spectroscopy studies

    NASA Astrophysics Data System (ADS)

    Caetano, Wilker; Tabak, Marcel

    1999-10-01

    The characteristics of binding of two phenothiazine antipsychotic drugs, namely, chlorpromazine (CPZ) and trifluoperazine (TFP), to cationic cetyltrimethylammonium chloride (CTAC), zwitterionic N-hexadecyl- N, N-dimethyl-3-ammonio-1-propanesulfonate (HPS), neutral t-octylphenoxypolyethoxyethanol (TRITON X-100) and polyoxyethylene dodecyl ether (Brij-35) micelles were investigated using electronic absorption spectroscopy. Binding constants Kb and p Ka values of drugs in micelles were estimated using the red shifts of the maximum absorption upon alkalization or in the presence of detergents. The p Ka of TFP seems to be shifted by 2.5-4.1 units to lower values in the presence of different surfactants as compared to the experimental value of p Ka obtained in buffer which is around 7.0. Consideration of the second p Ka around 4.0 reported in the literature for TFP leads to a better rationalization of p Ka changes for this compound. The changes in p Ka contributed by electrostatic effects are all positive, small for CTAC (+0.2), and greater for HPS (+0.9). For CPZ the p Ka shift due to its interaction with micelles is in the 0.7-2.3 range, the direction of the shift depending on the charge of the polar head. The electrostatic contribution for the shift is great for CTAC (-0.8) and smaller for HPS (+0.2). This result suggests a more polar localization in the micelle of CPZ as compared to TFP. The values of binding constants Kb for TFP and CPZ in different protonation states show that electrostatic interactions are essential in the affinity of the drugs to micelles bearing different charges on their headgroups (CTAC, HPS). Data for Brij-35 demonstrate that the additional charge on the TFP ring at pH 2.0 leads to a decrease of binding constant probably due to the repulsion of the phenothiazine ring from the protons accumulated at the polar head of the micelle at acidic pH values. For this micelle at pH 5.0 TFP has a Kb 3-fold greater than that for CPZ while at pH 2.0 Kb for

  11. In vitro study of percutaneous absorption of aluminum from antiperspirants through human skin in the Franz™ diffusion cell.

    PubMed

    Pineau, Alain; Guillard, Olivier; Favreau, Frédéric; Marty, Marie-Hélène; Gaudin, Angeline; Vincent, Claire Marie; Marrauld, Annie; Fauconneau, Bernard; Marty, Jean-Paul

    2012-05-01

    Aluminum salts such as aluminum chlorohydrate (ACH) are known for use as an active antiperspirant agent that blocks the secretion of sweat. A local case report of hyperaluminemia in a woman using an aluminum-containing antiperspirant for 4 years raises the problem of transdermal absorption of aluminum (Al). Only a very limited number of studies have shown that the skin is an effective barrier to transdermal uptake of Al. In accordance with our analytical procedure, the aim of this study with an in vitro Franz™ diffusion cell was to measure aluminum uptake from three cosmetic formulations of antiperspirant: the base for an "aerosol" (38.5% of ACH), a "roll-on" emulsion (14.5% ACH), and a "stick" (21.2%), by samples of intact and stripped human skin (5 donors). The Al assays were performed by Zeeman Electrothermal Atomic Absorption Spectrophotometry (ZEAAS). Following contacts lasting 6, 12 and 24h, the Al assays showed only insignificant transdermal absorption of Al (≤0.07% of the quantity of Al deposited) and particularly low cutaneous quantities that varied according to the formulations (1.8 μg/cm² for "aerosol base" and "stick" - 0.5 μg/cm² for the "roll-on"). On stripped skin, for which only the "stick" formulation was tested, the measured uptake was significantly higher (11.50 μg/cm² versus 1.81 μg/cm² for normal skin). These results offer reassurance as regards to the use of antiperspirants for topical application of ACH-containing cosmetic formulations on healthy skin over a limited time span (24h). On the other hand, high transdermal Al uptake on stripped skin should compel antiperspirant manufacturers to proceed with the utmost caution.

  12. Coherent processes in electromagnetically induced absorption: a steady and transient study

    NASA Astrophysics Data System (ADS)

    Dimitrijević, J.; Arsenović, D.; Jelenković, B. M.

    2011-03-01

    A perturbation method was used to solve optical Bloch equations (OBEs) for the transition Fg=1→Fe=2, in order to describe the role of ground-level Zeeman coherences in the formation of electromagnetically induced absorption (EIA). A narrow Lorentzian peak, centered at zero value of the scanning magnetic field, appears in the analytical expression of the second-order correction of a density-matrix element for ground-level Zeeman coherences, (ρg-1, g+1)x2. Through analytical expressions for lower-order corrections of density-matrix elements, we were able to establish clear relations between the narrow Lorentzian in (ρg- 1, g+1)x2 and higher-order corrections of optical coherences, i.e. EIA. We see from analytical expressions that these two resonances have opposite signs and that EIA becomes electromagnetically induced transparency (EIT) in the limit of low efficiency of spontaneous transfer of coherences from excited-level to ground-level Zeeman sublevels. The transient behavior of EIA follows the time evolution of (ρg- 1, g+1)x2. After the coupling laser is turned on, both the Lorentzian peak in (ρg- 1, g+1)x2 and EIA reach steady state via over-damped oscillations.

  13. X-ray absorption spectroscopy studies of reactions of technetium, uranium and neptunium with mackinawite.

    PubMed

    Livens, Francis R; Jones, Mark J; Hynes, Amanda J; Charnock, John M; Mosselmans, J Fred W; Hennig, Christoph; Steele, Helen; Collison, David; Vaughan, David J; Pattrick, Richard A D; Reed, Wendy A; Moyes, Lesley N

    2004-01-01

    Technetium, uranium and neptunium may all occur in the environment in more than one oxidation state (IV or VII, IV or VI and IV or V respectively). The surface of mackinawite, the first-formed iron sulfide phase in anoxic conditions, can promote redox changes so a series of laboratory experiments were carried out to explore the interactions of Tc, U and Np with this mineral. The products of reaction were characterised using X-ray absorption spectroscopy. Technetium, added as TcO4(-), is reduced to oxidation state IV and forms a TcS(2)-like species. On oxidation of the mackinawite in air to form goethite, Tc remains in oxidation state IV but in an oxide, rather than a sulfide environment. At low concentrations, uranium forms uranyl surface complexes on oxidised regions of the mackinawite surface but at higher concentrations, the uranium promotes surface oxidation and forms a mixed oxidation state oxide phase. Neptunium is reduced to oxidation IV and forms a surface complex with surface sulfide ions. The remainder of the Np coordination sphere is filled with water molecules or hydroxide ions.

  14. Studying Absorption Line Feature in the Relativistic Jet Source GRS 1915+105

    NASA Technical Reports Server (NTRS)

    Tavani, Marco

    1998-01-01

    The galactic superluminal source GRS 1915+105 is among the most interesting objects in our Galaxy. It is subject to erratic accretion instabilities with energization of relativistic jets producing X-ray, optical and radio emission. This source was observed by ASCA on Sept. 27, 1994, April 20, 1995, October 23, 1996 and April 25, 1997 as part of a long timescale investigation. We detected strong variability of the source, and in particular the existence of burst/dip structure in October 1996 and April 1997. Clear evidence of transient absorption features at 6.7, 7.0 and 8.0 keV was obtained for the first time in September 1994 and April 1995. Given the phenomenology of plasmoid energization and ejection, these transient spectral features might be produced by material entrained in the radio jets or in other high-velocity outflows. Our contribution to the interpretation is to incorporate these observations into a overall theoretical picture for GRS 1915+105 also taking into account other observations by XTE and BSAX. The emerging picture is complex. The central source is subject to (most likely) super-Eddington instabilities mediated by magnetic field build-up, reconnection and dissipation in the form of blobs that eventually leads to the formation of transient spectral features from the surrounding of the plasmoid emitting region. A comprehensive theoretical investigation is in progress.

  15. ESR, optical absorption, and luminescence studies of the peroxy-radical defect in topaz

    SciTech Connect

    Priest, V.; Cowan, D.L. ); Yasar, H.; Ross, F.K. , University of Missouri-Columbia, Columbia, Missouri )

    1991-11-01

    Fast-neutron irradiation of natural topaz crystals produces a single paramagnetic radiation damage center in high concentration. ESR of this center shows a holelike spectrum with {ital S}=1/2 and a strongly anisotropic {ital g} tensor: {ital g}{sub {ital x}{ital x}}=2.0027, {ital g}{sub {ital y}{ital y}}=2.0055, and {ital g}{sub {ital z}{ital z}}=2.0407. We identify this defect as an intrinsic O{sub 2}{sup {minus}} center in the form of a peroxy radical. The orientation of the {ital g} tensor helps confirm this assignment, as does the extraordinary thermal stability; annealing temperatures near 800 {degree}C are required for complete removal. Two uv absorption bands are associated with the peroxy radical, each with oscillator strength near 0.09. Pumping in the higher energy band leads to a polarization-sensitive 2.5-eV luminescence; the other uv band apparently relaxes nonradiatively.

  16. Studies on the synthesis and microwave absorption properties of Fe3 O4/polyaniline FGM

    NASA Astrophysics Data System (ADS)

    Han, Xiao; Wang, Yuan-Sheng

    2007-12-01

    Electrically conducting polyaniline (PANI)-magnetic oxide (Fe3 O4) composites were synthesized by emulsion polymerization in the presence of dodecyl benzene sulfonic acid (DBSA) as the surfactant and dopant and ammonium persulfate (APS) as the oxidant. Transmission electron microscopy (TEM) indicates that the composite has a magnetic core and an electric shell and the modification has prevented the aggregation of Fe3 O4 nanoparticles effectively. The electromagnetic parameter measurements (ɛ'', ɛ', μ'' and μ') in the range of 2-18 GHz prove that Fe3 O4 in the Fe3 O4/PANI/DBSA is responsible for the electric and ferromagnetic behavior of the composites. As a result, the electromagnetic parameters can be designed by adjusting the content of the Fe3 O4. The microwave absorption of functionally graded material (FGM) was simulated by the computer according to the principle of impedance match and the calculated results agreed quite well with the experimentally measured data (R<-20 dB, Δf>4 GHz).

  17. [Studies on the data processing method in chlorine measurement by differential optical absorption spectroscopy technology].

    PubMed

    Ye, Cong-Lei; Xie, Pin-Hua; Qin, Min; Li, Ang; Ling, Liu-Yi; Hu, Ren-Zhi; Yang, Jing-Wen

    2012-07-01

    In this paper, based on Differential Optical Absorption Spectroscopy (DOAS) technique, experimental measurements of chlorine was carried out in the laboratory with a small self-built experimental system. In dealing with the standard cross-section of chlorine, we presented two different methods: triangle filtering and polynomial fitting. Experiments showed that the concentration of chlorine could be accurately retrieved by the latter one. Simulation results showed that the error of retrieval result by fifth-order polynomial fitting was smaller than by other orders and an actual retrieval example shows that the fitting spectrums were nearly coincident with the measured spectrums with a residual delta(peak to peak) below 5 per hundred; The results measured in different sample pools displayed a high linearity of 0.9961 by this method. The main sources of errors during the entire experiment were simply analyzed. According to the experimental result above, it is feasible to detect chlorine using DOAS technology by polynomial fitting. PMID:23016314

  18. Dark Hearts in the Perseus Cluster Galaxies: A Study of Dust Absorption Features

    NASA Astrophysics Data System (ADS)

    Hooper, Eric Jon; Wojtaszek, M.; Gallagher, J. S.

    2013-01-01

    Indicators of a cool interstellar medium, such as dust features and HI emission, are more prevalent in early type galaxies than once thought. Yet it is still difficult to understand their presence in the cores of massive clusters. The hot intracluster medium can strip low-density gas from infalling galaxies via ram pressure or can heat the gas past its escape velocity. Nevertheless, galaxies with cool ISM in the form of dust do exist in the Coma Cluster. Here we report on several such systems observed near the core of the Perseus Cluster, the nearest massive cluster of galaxies (D = 70 Mpc). Perseus is an optically unrelaxed cluster with an extensive hot ICM. It also contains several high-velocity galaxies, including a system infalling towards NGC 1275 at a relative speed of ~3000 km/sec, which suggests a continued accretion of systems from the cluster's surroundings. We detect dust features in early-type galaxies through the presence of optical absorption, visible in the form of very circular rings, dark spiral arms and disk systems, or both. These features range in size from 50 to 1700 parsecs. We suggest that these components may be remnants of evolutionary pre-processing in groups that occurs as objects fall into the Perseus cluster. We also discuss their existence in terms of survival time scales for cold ISM in the early-type members of a rich galaxy cluster.

  19. DFT study of the effect of substituents on the absorption and emission spectra of Indigo

    PubMed Central

    2012-01-01

    Background Theoretical analyses of the indigo dye molecule and its derivatives with Chlorine (Cl), Sulfur (S), Selenium (Se) and Bromine (Br) substituents, as well as an analysis of the Hemi-Indigo molecule, were performed using the Gaussian 03 software package. Results Calculations were performed based on the framework of density functional theory (DFT) with the Becke 3- parameter-Lee-Yang-Parr (B3LYP) functional, where the 6-31 G(d,p) basis set was employed. The configuration interaction singles (CIS) method with the same basis set was employed for the analysis of excited states and for the acquisition of the emission spectra. Conclusions The presented absorption and emission spectra were affected by the substitution position. When a hydrogen atom of the molecule was substituted by Cl or Br, practically no change in the absorbed and emitted energies relative to those of the indigo molecule were observed; however, when N was substituted by S or Se, the absorbed and emitted energies increased. PMID:22809100

  20. Multiple Scattering X-Ray Absorption Studies of Zn2+ Binding Sites in Bacterial Photosynthetic Reaction Centers

    PubMed Central

    Giachini, Lisa; Francia, Francesco; Mallardi, Antonia; Palazzo, Gerardo; Carpenè, Emilio; Boscherini, Federico; Venturoli, Giovanni

    2005-01-01

    Binding of transition metal ions to the reaction center (RC) protein of the photosynthetic bacterium Rhodobacter sphaeroides has been previously shown to slow light-induced electron and proton transfer to the secondary quinone acceptor molecule, QB. On the basis of x-ray diffraction at 2.5 Å resolution a site, formed by AspH124, HisH126, and HisH128, has been identified at the protein surface which binds Cd2+ or Zn2+. Using Zn K-edge x-ray absorption fine structure spectroscopy we report here on the local structure of Zn2+ ions bound to purified RC complexes embedded into polyvinyl alcohol films. X-ray absorption fine structure data were analyzed by combining ab initio simulations and multiparameter fitting; structural contributions up to the fourth coordination shell and multiple scattering paths (involving three atoms) have been included. Results for complexes characterized by a Zn to RC stoichiometry close to one indicate that Zn2+ binds two O and two N atoms in the first coordination shell. Higher shell contributions are consistent with a binding cluster formed by two His, one Asp residue, and a water molecule. Analysis of complexes characterized by ∼2 Zn ions per RC reveals a second structurally distinct binding site, involving one O and three N atoms, not belonging to a His residue. The local structure obtained for the higher affinity site nicely fits the coordination geometry proposed on the basis of x-ray diffraction data, but detects a significant contraction of the first shell. Two possible locations of the second new binding site at the cytoplasmic surface of the RC are proposed. PMID:15613631

  1. Study of gain and photoresponse characteristics for back-illuminated separate absorption and multiplication GaN avalanche photodiodes

    SciTech Connect

    Wang, Xiaodong; Pan, Ming; Hou, Liwei; Xie, Wei; Hu, Weida Xu, Jintong; Li, Xiangyang; Chen, Xiaoshuang Lu, Wei

    2014-01-07

    The gain and photoresponse characteristics have been numerically studied for back-illuminated separate absorption and multiplication (SAM) GaN avalanche photodiodes (APDs). The parameters of fundamental models are calibrated by simultaneously comparing the simulated dark and light current characteristics with the experimental results. Effects of environmental temperatures and device dimensions on gain characteristics have been investigated, and a method to achieve the optimum thickness of charge layer is obtained. The dependence of gain characteristics and breakdown voltage on the doping concentration of the charge layer is also studied in detail to get the optimal charge layer. The bias-dependent spectral responsivity and quantum efficiency are then presented to study the photoresponse mechanisms inside SAM GaN APDs. It is found the responsivity peak red-shifts at first due to the Franz-Keldysh effect and then blue-shifts due to the reach-through effect of the absorption layer. Finally, a new SAM GaN/AlGaN heterojunction APD structure is proposed for optimizing SAM GaN APDs.

  2. Copper doped TiO2 nanoparticles characterized by X-ray absorption spectroscopy, total scattering, and powder diffraction – a benchmark structure–property study

    SciTech Connect

    Lock, Nina; Jensen, Ellen M. L.; Mi, Jianli; Mamakhel, Aref; Norén, Katarina; Qingbo, Meng; Iversen, Bo B.

    2013-01-01

    Metal functionalized nanoparticles potentially have improved properties e.g. in catalytic applications, but their precise structures are often very challenging to determine. Here we report a structural benchmark study based on tetragonal anatase TiO2 nanoparticles containing 0–2 wt% copper. The particles were synthesized by continuous flow synthesis under supercritical water–isopropanol conditions. Size determination using synchrotron PXRD, TEM, and X-ray total scattering reveals 5–7 nm monodisperse particles. The precise dopant structure and thermal stability of the highly crystalline powders were characterized by X-ray absorption spectroscopy and multi-temperature synchrotron PXRD (300–1000 K). The combined evidence reveals that copper is present as a dopant on the particle surfaces, most likely in an amorphous oxide or hydroxide shell. UV-VIS spectroscopy shows that copper presence at concentrations higher than 0.3 wt% lowers the band gap energy. The particles are unaffected by heating to 600 K, while growth and partial transformation to rutile TiO2 occur at higher temperatures. Anisotropic unit cell behavior of anatase is observed as a consequence of the particle growth (a decreases and c increases).

  3. Study on the Main Components Interaction from Flos Lonicerae and Fructus Forsythiae and Their Dissolution In Vitro and Intestinal Absorption in Rats

    PubMed Central

    Zhou, Wei; Tan, Xiaobin; Shan, Jinjun; Wang, Shouchuan; Yin, Ailing; Cai, Baochang; Di, Liuqing

    2014-01-01

    The Flos Lonicerae-Fructus Forsythiae herb couple is the basic components of Chinese herbal preparations (Shuang-Huang-Lian tablet, Yin-Qiao-Jie-Du tablet and Fufang Qin-Lan oral liquid), and its pharmacological effects were significantly higher than that in Flos Lonicerae or Fructus Forsythiae, but the reasons remained unknown. In the present study, pattern recognition analysis (hierarchical cluster analysis (HCA) and principal component analysis (PCA)) combined with UHPLC-ESI/LTQ-Orbitrap MS system were performed to study the chemical constitution difference between co-decoction and mixed decoction in the term of chemistry. Besides, the pharmacokinetics in vivo and intestinal absorption in vitro combined with pattern recognition analysis were used to reveal the discrepancy between herb couple and single herbs in the view of biology. The observation from the chemical view in vitro showed that there was significant difference in quantity between co-decoction and mixed decoction by HCA, and the exposure level of isoforsythoside and 3, 5-dicaffeoylquinic acid in co-decoction, higher than that in mixed decoction, directly resulted in the discrepancy between co-decoction and mixed decoction using both PCA and HCA. The observation from the pharmacokinetics displayed that the exposure level in vivo of neochlorogenic acid, 3, 4-dicaffeoylquinic acid, isoforsythoside and forsythoside A, higher than that in single herbs, was the main factor contributing to the difference by both PCA and HCA, interestingly consistent with the results obtained from Caco-2 cells in vitro, which indicated that it was because of intestinal absorption improvement of neochlorogenic acid, 3, 4-dicaffeoylquinic acid, isoforsythoside and forsythoside A that resulted in a better efficacy of herb couple than that of single herbs from the perspective of biology. The results above illustrated that caffeic acid derivatives in Flos Lonicerae-Fructus Forsythiae herb couple could be considered as chemical

  4. Light absorption properties and absorption budget of Southeast Pacific waters

    NASA Astrophysics Data System (ADS)

    Bricaud, Annick; Babin, Marcel; Claustre, Hervé; Ras, JoséPhine; TièChe, Fanny

    2010-08-01

    Absorption coefficients of phytoplankton, nonalgal particles (NAPs), and colored dissolved organic matter (CDOM), and their relative contributions to total light absorption, are essential variables for bio-optical and biogeochemical models. However, their actual variations in the open ocean remain poorly documented, particularly for clear waters because of the difficulty in measuring very low absorption coefficients. The Biogeochemistry and Optics South Pacific Experiment (BIOSOPE) cruise investigated a large range of oceanic regimes, from mesotrophic waters around the Marquesas Islands to hyperoligotrophic waters in the subtropical gyre and eutrophic waters in the upwelling area off Chile. The spectral absorption coefficients of phytoplankton and NAPs were determined using the filter technique, while the CDOM absorption coefficients were measured using a 2 m capillary waveguide. Over the whole transect, the absorption coefficients of both dissolved and particulate components covered approximately two orders of magnitude; in the gyre, they were among the lowest ever reported for open ocean waters. In the oligotrophic and mesotrophic waters, absorption coefficients of phytoplankton and NAPs were notably lower than those measured in other oceanic areas with similar chlorophyll contents, indicating some deviation from the standard chlorophyll-absorption relationships. The contribution of absorption by NAPs to total particulate absorption showed large vertical and horizontal variations. CDOM absorption coefficients covaried with algal biomass, albeit with a high scatter. The spectral slopes of both NAP and CDOM absorption revealed structured spatial variability in relation with the trophic conditions. The relative contributions of each component to total nonwater absorption were (at a given wavelength) weakly variable over the transect, at least within the euphotic layer.

  5. In-situ X-ray absorption spectroscopy study of Pt and Ru chemistry during methanol electrooxidation.

    PubMed

    Holstein, William L; Rosenfeld, H David

    2005-02-17

    Methanol electrooxidation in a 0.5 M sulfuric acid electrolyte containing 1.0 M CH3OH was studied on 30% Pt/carbon and 30% PtRu/carbon (Pt/Ru = 1:1) catalysts using X-ray absorption spectroscopy (XAS). Absorption by Pt and Ru was measured at constant photon energy in the near edge region during linear potential sweeps of 10-50 mV/s between 0.01 and 1.36 V vs rhe. The absorption results were used to follow Pt and Ru oxidation and reduction under transient conditions as well as to monitor Ru dissolution. Both catalysts exhibited higher activity for methanol oxidation at high potential following multiple potential cycles. Correlation of XAS data with the potential sweeps indicates that Pt catalysts lose activity at high potentials due to Pt oxidation. The addition of Ru to Pt accelerates the rate of methanol oxidation at all potentials. Ru is more readily oxidized than Pt, but unlike Pt, its oxidation does not result in a decrease in catalytic activity. PtRu/carbon catalysts underwent significant changes during potential cycling due to Ru loss. Similar current density vs potential results were obtained using the same PtRu/carbon catalyst at the same loading in a membrane electrode assembly half cell with only a Nafion (DuPont) solid electrolyte. The results are interpreted in terms of a bifunctional catalyst mechanism in which Pt surface sites serve to chemisorb and dissociate methanol to protons and carbon monoxide, while Ru surface sites activate water and accelerate the oxidation of the chemisorbed CO intermediate. PtRu/carbon catalysts maintain their activity at very high potentials, which is attributed to the ability of the added Ru to keep Pt present in a reduced state, a necessary requirement for methanol chemisorption and dissociation. PMID:16851209

  6. Colloidal submicron-particle curcumin exhibits high absorption efficiency-a double-blind, 3-way crossover study.

    PubMed

    Sunagawa, Yoichi; Hirano, Sae; Katanasaka, Yasufumi; Miyazaki, Yusuke; Funamoto, Masafumi; Okamura, Nobuko; Hojo, Yuya; Suzuki, Hidetoshi; Doi, Osamu; Yokoji, Tsunehiro; Morimoto, Eriko; Takashi, Tsukasa; Ozawa, Hitomi; Imaizumi, Atsushi; Ueno, Morio; Kakeya, Hideaki; Shimatsu, Akira; Wada, Hiromichi; Hasegawa, Koji; Morimoto, Tatsuya

    2015-01-01

    Curcumin is a major constituent of the spice turmeric and has various biological activities, including anticancer, antioxidant, and anti-inflammatory properties, as well as alcohol detoxification. However, because of its poor absorption efficiency, it is difficult for orally administered curcumin to reach blood levels sufficient to exert its bioactivities. To overcome this problem, several curcumin preparations with a drug-delivery system (DDS) have been developed to increase the bioavailability of curcumin after oral administration, and tested as functional foods and potential medical agents in humans. We have also produced capsules containing Theracurmin, curcumin dispersed with colloidal submicron-particles. To evaluate the absorption efficiency of three types of DDS curcumin, we performed a double-blind, 3-way crossover study. We compared plasma curcumin levels after the administration of Theracurmin and 2 other capsule types of curcumin with DDS, BCM-95 (micronized curcumin with turmeric essential oils) and Meriva (curcumin-phospholipid). Nine healthy subjects (male/female=5/4, age: 24-32 y old) were administered these 3 preparations of DDS curcumin, at commonly used dosages. Six capsules of Theracurmin, 1 capsule of BCM-95, and 2 capsules of Meriva contain 182.4 ± 1.0, 279.3 ± 10.7, and 152.5 ± 20.3 mg of curcumin, respectively. The maximal plasma curcumin concentration (0-24 h) of Theracurmin was 10.7 to 5.6 times higher than those of BCM-95 and Meriva, respectively. Moreover, the area under the blood concentration-time curve at 0-24 h was found to be 11.0- and 4.6-fold higher with Theracurmin than BCM-95 and Meriva, respectively. These data indicate that Theracurmin exhibits a much higher absorption efficiency than other curcumin DDS preparations.

  7. Photothermal deflection spectroscopy for the study of thin films and optical coatings: measurements of absorption losses and detection of photoinduced changes

    NASA Astrophysics Data System (ADS)

    Commandre, Mireille; Roche, Pierre J.; Albrand, Gerard; Pelletier, Emile P.

    1990-08-01

    Photothermal deflection has been used to map the absorption characteristics of thin film optical coatings. Our experimental set-up can give low level absorption coefficient down to 1 ppm, with a spatial resolution limited by the excitating laser beam diameter (100 tim). On single layer films, we can calculate extinction coefficient of the deposited material with a detectivity of a few i07. We present a study of absorption losses in single layer titania films and in TiOWSiO2 Fabry-Perot filters prepared in our laboratory by electron beam evaporation, ion assisted deposition and ion plating. Local variations of absorption on the sample surface can be very large especially in lowly absorbing samples; high absorption sites may be related to local defects responsible for laser damage. Furthermore, we show that some titania films can present photoinduced instabilities. Photothermal deflection spectroscopy is a good way to study absorption evolution under illumination. In Ti02/Si02 Fabry-Perot filters, we have observed that these absorption changes are associated with important drifts of transmission curves. So these instabilities can be explained by a change of the value of the complex index Ii = n - ik. Results lead to the conclusion that stability under illumination is strongly correlated to the deposition technique and also to the deposition conditions: unstable samples are mostly prepared by electron beam evaporation.

  8. Radiation effects in water ice: A near-edge x-ray absorption fine structure study

    NASA Astrophysics Data System (ADS)

    Laffon, C.; Lacombe, S.; Bournel, F.; Parent, Ph.

    2006-11-01

    The changes in the structure and composition of vapor-deposited ice films irradiated at 20K with soft x-ray photons (3-900eV) and their subsequent evolution with temperatures between 20 and 150K have been investigated by near-edge x-ray absorption fine structure spectroscopy (NEXAFS) at the oxygen K edge. We observe the hydroxyl OH, the atomic oxygen O, and the hydroperoxyl HO2 radicals, as well as the oxygen O2 and hydrogen peroxide H2O2 molecules in irradiated porous amorphous solid water (p-ASW) and crystalline (Icryst) ice films. The evolution of their concentrations with the temperature indicates that HO2, O2, and H2O2 result from a simple step reaction fuelled by OH, where O2 is a product of HO2 and HO2 a product of H2O2. The local order of ice is also modified, whatever the initial structure is. The crystalline ice Icryst becomes amorphous. The high-density amorphous phase (Iah ) of ice is observed after irradiation of the p-ASW film, whose initial structure is the normal low-density form of the amorphous ice (Ial). The phase Iah is thus peculiar to irradiated ice and does not exist in the as-deposited ice films. A new "very high density" amorphous phase—we call Iavh—is obtained after warming at 50K the irradiated p-ASW ice. This phase is stable up to 90K and partially transforms into crystalline ice at 150K.

  9. Vitamin B12 absorption--a study of intraluminal events in control subjects and patients with tropical sprue.

    PubMed Central

    Kapadia, C R; Bhat, P; Jacob, E; Baker, S J

    1975-01-01

    The intraluminal fate of orally administered radioactive vitamin B12 has been studied in control subjects with normal vitamin B12 absorption and those with vitamin B12 malabsorption due to tropical sprue. In control subjects 1 to 21% of the dose was bound to sedimentable material and 37 to 75% was bound to immunoreactive intrinsic factor. In subjects with vitamin B12 malabsorption due to tropical sprue, the results were identical with the control subjects. Bacteriological studies showed a statistically significant correlation between both the number of flora in the jejunum and the number of bacteroides in both the jejunum and ileum and vitamin B12 malabsorption. In patients with tropical sprue who have normal intrinsic factor secretion, the vitamin B12 absorptive defect is not due to binding of the vitamin to bacteria or to alteration to the intrinsic factor vitamin B12 complex in the intestinal lumen. The lesion appears to be one of the mucosal cell receptors or of the cells themselves, possibly caused by bacterial toxins. PMID:3457

  10. [Study of adsorption and desorption of behaviors of Pb2+ on thiol-modified bentonite by flame atomic absorption spectrometry].

    PubMed

    Chen, Wen; Xiong, Qiong-Xian; Pang, Xiao-Feng; Zhu, Xia-Ping; Han, Mei; Zhao, Qiu-Xiang; Liu, Wen-Hua

    2013-03-01

    A comparative analysis of the functional groups and surface structure of the Ca-bentonite (RB) and thiol-modified bentonite (TMB) were characterized by means of FTIR and SEM. The absorptive property of Pb2+ on TMB and RB and its influential factors was studied and the conditions for the adsorption were optimized by using FAAS method. Then the conditions for desorption of Pb2+ from the TMB by using simulated acid rain were studied and the contrast analysis of absorptive stability of Pb2+ on TMB and RB was given. The results showed that the adsorption rate of Pb2+ by TMB could reach more than 98%, when the initial Pb2+ concentration was 100 mg.L-1, the liquid-solid ratio was 5 g.L-1, pH was 6. 0, KNO3 ionic strength was 0. 1 mol.L-1 and adsorption period was 60min at 25 C. The saturated adsorption capacity of TMB was 67.27 mg.g-1; it's much more than that of RB (9.667 mg.g-1). The adsorption of Pb2+ on TMB follows Langmuir and Freundlich isotherm models well. Desorption experiments of Pb2+ from TMB with simulated acid rain (pH 3. 50) were done, and the desorption rate was 0. The results showed that TMB has a strong adsorption and fixation capacity for PbZ+; it is adapted to lead contaminated soil for chemical remediation. PMID:23705461

  11. FeS2 quantum dots sensitized nanostructured TiO2 solar cell: photoelectrochemical and photoinduced absorption spectroscopy studies

    NASA Astrophysics Data System (ADS)

    Bedja, I.

    2011-09-01

    Thin films of nanostructured TiO2 have been modified with FeS2 (pyrite) nano-particles by a low temperature chemical reaction of iron pentacarbonyl with sulfur in xylene. Quantum size effects are manifested by the observation of a blue shift in both absorption and photocurrent action spectra. PIA (Photoinduced absorption spectroscopy), where the excitation is provided by a square-wave modulated (on/off) monochromatic light emitting diode, is a multipurpose tool in the study of dye-sensitized solar cells. Here, PIA is used to study quantum-dot modified TiO2 nanostructured electrodes. The PIA spectra obtained give evidence for long-lived photoinduced charge separation: electrons are injected into the metal oxide and holes are left behind in the FeS2 quantum dot. Time-resolved PIA shows that recombination between electrons and holes occurs on a millisecond timescale. The Incident-Photon-to-Current Efficiency of about 23 % was obtained at 400 nm excitation. The performances of TiO2 electrodes modified with FeS2 are relatively low, which is explained by the presence of FeS2 phases other than the photoactive pyrite phase, as follows from the XRD spectrum.

  12. [Study of adsorption and desorption of behaviors of Pb2+ on thiol-modified bentonite by flame atomic absorption spectrometry].

    PubMed

    Chen, Wen; Xiong, Qiong-Xian; Pang, Xiao-Feng; Zhu, Xia-Ping; Han, Mei; Zhao, Qiu-Xiang; Liu, Wen-Hua

    2013-03-01

    A comparative analysis of the functional groups and surface structure of the Ca-bentonite (RB) and thiol-modified bentonite (TMB) were characterized by means of FTIR and SEM. The absorptive property of Pb2+ on TMB and RB and its influential factors was studied and the conditions for the adsorption were optimized by using FAAS method. Then the conditions for desorption of Pb2+ from the TMB by using simulated acid rain were studied and the contrast analysis of absorptive stability of Pb2+ on TMB and RB was given. The results showed that the adsorption rate of Pb2+ by TMB could reach more than 98%, when the initial Pb2+ concentration was 100 mg.L-1, the liquid-solid ratio was 5 g.L-1, pH was 6. 0, KNO3 ionic strength was 0. 1 mol.L-1 and adsorption period was 60min at 25 C. The saturated adsorption capacity of TMB was 67.27 mg.g-1; it's much more than that of RB (9.667 mg.g-1). The adsorption of Pb2+ on TMB follows Langmuir and Freundlich isotherm models well. Desorption experiments of Pb2+ from TMB with simulated acid rain (pH 3. 50) were done, and the desorption rate was 0. The results showed that TMB has a strong adsorption and fixation capacity for PbZ+; it is adapted to lead contaminated soil for chemical remediation.

  13. Using resonance light scattering and UV/vis absorption spectroscopy to study the interaction between gliclazide and bovine serum albumin.

    PubMed

    Zhang, Qiu-Ju; Liu, Bao-Sheng; Li, Gai-Xia; Han, Rong

    2016-08-01

    At different temperatures (298, 310 and 318 K), the interaction between gliclazide and bovine serum albumin (BSA) was investigated using fluorescence quenching spectroscopy, resonance light scattering spectroscopy and UV/vis absorption spectroscopy. The first method studied changes in the fluorescence of BSA on addition of gliclazide, and the latter two methods studied the spectral change in gliclazide while BSA was being added. The results indicated that the quenching mechanism between BSA and gliclazide was static. The binding constant (Ka ), number of binding sites (n), thermodynamic parameters, binding forces and Hill's coefficient were calculated at three temperatures. Values for the binding constant obtained using resonance light scattering and UV/vis absorption spectroscopy were much greater than those obtained from fluorescence quenching spectroscopy, indicating that methods monitoring gliclazide were more accurate and reasonable. In addition, the results suggest that other residues are involved in the reaction and the mode 'point to surface' existed in the interaction between BSA and gliclazide. Copyright © 2015 John Wiley & Sons, Ltd.

  14. Human volunteer study on the inhalational and dermal absorption of N-methyl-2-pyrrolidone (NMP) from the vapour phase.

    PubMed

    Bader, Michael; Wrbitzky, Renate; Blaszkewicz, Meinolf; Schäper, Michael; van Thriel, Christoph

    2008-01-01

    N-Methyl-2-pyrrolidone (NMP) is a versatile organic solvent frequently used for surface cleaning such as paint stripping or graffiti removal. Liquid NMP is rapidly absorbed through the skin but dermal vapour phase absorption might also play an important role for the uptake of the solvent. This particular aspect was investigated in an experimental study with 16 volunteers exposed to 80 mg/m(3) NMP for 8 h under either whole-body, i.e. inhalational plus dermal, or dermal-only conditions. Additionally, the influence of moderate physical workload on the uptake of NMP was studied. The urinary concentrations of NMP and its metabolites 5-hydroxy-N-methyl-2-pyrrolidone (5-HNMP) and 2-hydroxy-N-methylsuccinimide (2-HMSI) were followed for 48 h and analysed by gas chromatography-mass spectrometry (GC-MS). Percutaneous uptake delayed the elimination peak times and the apparent biological half-lives of NMP and 5-HNMP. Under resting conditions, dermal-only exposure resulted in the elimination of 71 +/- 8 mg NMP equivalents as compared to 169 +/- 15 mg for whole-body exposure. Moderate workload yielded 79 +/- 8 mg NMP (dermal-only) and 238 +/- 18 mg (whole-body). Thus, dermal absorption from the vapour phase may contribute significantly to the total uptake of NMP, e.g. from workplace atmospheres. As the concentration of airborne NMP does not reflect the body dose, biomonitoring should be carried out for surveillance purposes.

  15. Studies in sheep on the absorption of magnesium from a low molecular weight fraction of the reticulo-rumen contents.

    PubMed

    Grace, N D; Caple, I W; Care, A D

    1988-01-01

    1. Six sheep, three animals per diet, were prepared with rumen fistulas and fed on frozen grass or grass-maize pellets to give magnesium intakes of 1.79 and 2.23 g/d respectively. The mean apparent availabilities of Mg in sheep fed on frozen grass and grass-maize pellets were 0.31 and 0.36 respectively. 2. The rumen contents were fractionated by straining the digesta through linen cloth and then differentially centrifuged to give 20,000 g and 100,000 g supernatant fractions. 3. In all sheep, regardless of diet, at 4 and 16 h after a meal, 50 and 60% respectively of the total Mg in the rumen contents was found in strained rumen fluid while 30 and 38% respectively of the total Mg was found in the 100,000 g supernatant fraction. 4. The net absorption of Mg from the temporarily isolated and washed reticulo-rumen was studied using either 100,000 g supernatant fractions of rumen contents from sheep fed on one or other of the two diets, or inorganic buffers containing the same concentration of Mg and other macroelements. 5. The Mg was readily absorbed from the 100,000 g supernatant fraction placed in the rumen with the rate of absorption being 7.3 mumol/l per min (505 mg/d) from the supernatant fraction obtained from sheep fed on frozen grass and 11.3 mumol/l per min (781 mg/d) from the supernatant fraction from sheep fed on grass-maize pellets. In the same sheep, the previously described rates of Mg absorption from the 100,000 g supernatant fraction were similar to those obtained from the comparable inorganic buffers. 6. The effects of varying concentrations of potassium and sodium on the net absorption rate of Mg (as 24Mg) and on the one-way efflux of Mg (as 28Mg) from supernatant fractions or rumen fluid and inorganic buffers were investigated using the temporarily-isolated and washed rumen in three sheep. Although the net absorption rate of 24Mg from supernatant fractions or buffers containing similar K concentrations varied significantly between sheep, a similar

  16. LYTIC ACTIVITIES IN RENAL PROTEIN ABSORPTION DROPLETS. AN ELECTRON MICROSCOPICAL CYTOCHEMICAL STUDY.

    PubMed

    MILLER, F; PALADE, G E

    1964-12-01

    The digestive cycle following reabsorption of hemoglobin by cells of the proximal convoluted tubules in mouse kidney and the uptake of ferritin by glomerular mesangial cells in the kidney of normal and nephrotic rats were investigated by electron microscopical histochemical procedures. Mouse kidneys, sampled at closely spaced time points between 1 to 48 hours after intraperitoneal injection of hemoglobin, and rat (normal and nephrotic) kidneys, sampled at 30 minutes, 2 hours, and 48 hours after intravenous injection of ferritin, were fixed in glutaraldehyde, cut at 50 micro on a freezing microtome, incubated for acid phosphatase and thiolacetate-esterase, and postfixed in OsO(4). Satisfactory preservation of fine structure permitted the localization of the enzymatic reaction products on cell structures involved in uptake and digestion of exogenous proteins. The latter were identified either by their density (hemoglobin) or their molecular structure (ferritin). It was found that lysosomal enzymic activities and incorporated exogenous proteins occur together in the same membrane-bounded structures. In the cells of the proximal convolution, lytic activities become demonstrable within 1 hour after hemoglobin injection, appear first in apical vacuoles filled with hemoglobin, and persist in fully formed protein absorption droplets. At the end of the lytic cycle ( approximately 48 hours post injection), the cells have an increased population of polymorphic bodies which exhibit lytic activities. In smaller numbers, identical bodies occur in controls. It is concluded that they represent remnants of previous digestive events. The means by which the resorptive vacuoles acquire hydrolytic activities remain unknown. Fusion of newly formed vacuoles with residual bodies was not seen, and hemoglobin incorporation into such bodies was only occasionally encountered. Acid phosphatase activity was found sometimes in the Golgi complex, but enzyme transport from the complex to the

  17. SO_2 Absorption Cross Sections and N_2 VUV Oscillator Strengths for Planetary Atmosphere Studies

    NASA Astrophysics Data System (ADS)

    Smith, Peter L.; Stark, G.; Rufus, J.; Pickering, J. C.; Cox, G.; Huber, K. P.

    1998-09-01

    The determination of the chemical composition of the atmosphere of Io from Hubble Space Telescope observations in the 190-220 nm wavelength region requires knowledge of the photoabsorption cross sections of SO_2 at temperatures ranging from about 110 K to 300 K. We are engaged in a laboratory program to measure SO_2 absorption cross sections with very high resolving power (lambda /delta lambda =~ 450,000) and at a range of temperatures appropriate to the Io atmosphere. Previous photoabsorption measurements, with lambda /delta lambda =~ 100,000, have been unable to resolve the very congested SO_2 spectrum, and, thus, to elucidate the temperature dependence of the cross sections. Our measurements are being performed at Imperial College, London, using an ultraviolet Fourier transform spectrometer. We will present our recently completed room temperature measurements of SO_2 cross sections in the 190-220 nm region and plans for extending these to ~ 195 K. Analyses of Voyager VUV occultation measurements of the N_2-rich atmospheres of Titan and Triton have been hampered by the lack of fundamental spectroscopic data for N_2, in particular, by the lack of reliable f-values and line widths for electronic bands of N_2 in the 80-100 nm wavelength region. We are continuing our program of measurements of band oscillator strengths for the many (approximately 100) N_2 bands between 80 and 100 nm. We report new f-values, derived from data obtained at the Photon Factory (Tsukuba, Japan) synchrotron radiation facility with lambda /delta lambda =~ 130,000, of 37 bands in the 80-86 nm region and 21 bands in the 90-95 nm region. We have also begun the compilation of a searchable archive of N_2 data on the World Wide Web; see http://cfa-www.harvard. edu/amp/data/n2/n2home.html. The archive, covering the spectroscopy of N_2 between 80 and 100 nm, will include published and unpublished (14) N_2, (14) N(15) N, and (15) N_2 line lists and spectroscopic identifications, excited state energy

  18. Ultrasonic velocity and absorption study of binary mixtures of cyclohexane with acrylonitrile by interferometric method at different frequencies

    NASA Astrophysics Data System (ADS)

    Pawar, N. R.; Chimankar, O. P.; Bhandakkar, V. D.; Padole, N. N.

    2012-12-01

    The ultrasonic velocity (u), absorption (α), density (ρ), and viscosity (η) has been measured at different frequencies (1MHz to 10MHz) in the binary mixtures of cyclohexane with acrylonitriile over the entire range of composition at temperature 303K. Vander Waal's constant (b), adiabatic compressibility (βa), acoustic impedance (Z), molar volume (V), free length (Lf), free volume, internal pressure, intermolecular radius and relative association have been also calculated. A special application for acrylonitrile is in the manufacture of carbon fibers. These are produced by paralysis of oriented poly acrylonitrile fibers and are used to reinforce composites for high-performance applications in the aircraft, defense and aerospace industries. Other applications of acrylonitrile are in the production of fatty amines, ion exchange resins and fatty amine amides used in cosmetics, adhesives, corrosion inhibitors and water-treatment resins. Cyclohexane derivatives can be used for the synthesis of pharmaceuticals, dyes, herbicides, plant growth regulator, plasticizers, rubber chemicals, nylon, cyclamens and other organic compounds. In the view of these extensive applications of acrylonitrile and cyclohexane in the engineering process, textile and pharmaceutical industries present study provides qualitative information regarding the nature and strength of interaction in the liquid mixtures through derive parameters from ultrasonic velocity and absorption measurement.

  19. A Comparative Study of Molecular Structure, pKa, Lipophilicity, Solubility, Absorption and Polar Surface Area of Some Antiplatelet Drugs

    PubMed Central

    Remko, Milan; Remková, Anna; Broer, Ria

    2016-01-01

    Theoretical chemistry methods have been used to study the molecular properties of antiplatelet agents (ticlopidine, clopidogrel, prasugrel, elinogrel, ticagrelor and cangrelor) and several thiol-containing active metabolites. The geometries and energies of most stable conformers of these drugs have been computed at the Becke3LYP/6-311++G(d,p) level of density functional theory. Computed dissociation constants show that the active metabolites of prodrugs (ticlopidine, clopidogrel and prasugrel) and drugs elinogrel and cangrelor are completely ionized at pH 7.4. Both ticagrelor and its active metabolite are present at pH = 7.4 in neutral undissociated form. The thienopyridine prodrugs ticlopidine, clopidogrel and prasugrel are lipophilic and insoluble in water. Their lipophilicity is very high (about 2.5–3.5 logP values). The polar surface area, with regard to the structurally-heterogeneous character of these antiplatelet drugs, is from very large interval of values of 3–255 Å2. Thienopyridine prodrugs, like ticlopidine, clopidogrel and prasugrel, with the lowest polar surface area (PSA) values, exhibit the largest absorption. A high value of polar surface area (PSA) of cangrelor (255 Å2) results in substantial worsening of the absorption in comparison with thienopyridine drugs. PMID:27007371

  20. Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

    NASA Astrophysics Data System (ADS)

    Kamada, M.; Hideshima, T.; Azuma, J.; Yamamoto, I.; Imamura, M.; Takahashi, K.

    2016-04-01

    Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4, m ≥ 3) orbitals. Resonant photoelectron spectra at S-L23 and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimes of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.

  1. Development of the isolated perfused porcine skin flap for in vitro studies of percutaneous absorption pharmacokinetics and cutaneous biotransformation

    SciTech Connect

    Carver, M.P.

    1988-01-01

    The isolated perfused porcine skin flap (IPPSF) has proven to be a valuable in vitro tool for studying the physiology and biochemistry of skin and for identifying biochemical and histological markers of direct cutaneous toxicity. The present experiments were undertaken for two purposes: (1) to develop a pharmacokinetic model, based on dermal penetration in the IPPSF, which is predictive of percutaneous absorption in vivo, and (2) to examine cutaneous biotransformation of the important agricultural poison parathion (P). Dosing solutions of {sup 14}C-radiolabelled compounds representing 3 chemical classes-organic acid/base (benzoic acid (B), caffeine (C)), organophosphate (OP) pesticides, and steroid hormones, were applied topically in ethanol at 40 {mu}m cm{sup {minus}2}, both in vivo and on the IPPSF. A 3-compartment pharmacokinetic model describing mass transfer from the surface (C{sub 1}), diffusion through epidermis and dermis (C{sub 2}), and transfer into the perfusate (C{sub 3}), was developed based on flux through the IPPSF from 0-8 hr. Model simulations were predictive of percutaneous absorption in vivo for the OP's and steroids. Modification of the basic 3-compartment model to account for fast and slow tissue-release processes (B) and for flux-dependent perfusage flow increases (C), provided excellent in vivo-in vitro correlation over all 7 compounds.

  2. Optical and structural properties of plasma-treated Cordyceps bassiana spores as studied by circular dichroism, absorption, and fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Geon Joon; Sim, Geon Bo; Choi, Eun Ha; Kwon, Young-Wan; Kim, Jun Young; Jang, Siun; Kim, Seong Hwan

    2015-01-01

    To understand the killing mechanism of fungal spores by plasma treatment, the optical, structural, and biological properties of the insect pathogenic fungus Cordyceps bassiana spores were studied. A nonthermal atmospheric-pressure plasma jet (APPJ) was used to treat the spores in aqueous solution. Optical emission spectra of the APPJ acquired in air indicated emission peaks corresponding to hydroxyl radicals and atomic oxygen. When the APPJ entered the aqueous solution, additional reactive species were derived from the interaction of plasma radicals with the aqueous solution. Fluorescence and absorption spectroscopy confirmed the generation of hydroxyl radicals and hydrogen peroxide in the plasma-activated water (PAW). Spore counting showed that plasma treatment significantly reduced spore viability. Absorption spectroscopy, circular dichroism (CD) spectroscopy, and agarose gel electrophoresis of the DNA extracted from plasma-treated spores showed a reduction in spore DNA content. The magnitude of the dip in the CD spectrum was lower in the plasma-treated spores than in the control, indicating that plasma treatment causes structural modifications and/or damage to cellular components. Tryptophan fluorescence intensity was lower in the plasma-treated spores than in the control, suggesting that plasma treatment modified cell wall proteins. Changes in spore viability and DNA content were attributed to structural modification of the cell wall by reactive species coming from the APPJ and the PAW. Our results provided evidence that the plasma radicals and the derived reactive species play critical roles in fungal spore inactivation.

  3. Optical and structural properties of plasma-treated Cordyceps bassiana spores as studied by circular dichroism, absorption, and fluorescence spectroscopy

    SciTech Connect

    Lee, Geon Joon Sim, Geon Bo; Choi, Eun Ha; Kim, Jun Young; Jang, Siun; Kim, Seong Hwan

    2015-01-14

    To understand the killing mechanism of fungal spores by plasma treatment, the optical, structural, and biological properties of the insect pathogenic fungus Cordyceps bassiana spores were studied. A nonthermal atmospheric-pressure plasma jet (APPJ) was used to treat the spores in aqueous solution. Optical emission spectra of the APPJ acquired in air indicated emission peaks corresponding to hydroxyl radicals and atomic oxygen. When the APPJ entered the aqueous solution, additional reactive species were derived from the interaction of plasma radicals with the aqueous solution. Fluorescence and absorption spectroscopy confirmed the generation of hydroxyl radicals and hydrogen peroxide in the plasma-activated water (PAW). Spore counting showed that plasma treatment significantly reduced spore viability. Absorption spectroscopy, circular dichroism (CD) spectroscopy, and agarose gel electrophoresis of the DNA extracted from plasma-treated spores showed a reduction in spore DNA content. The magnitude of the dip in the CD spectrum was lower in the plasma-treated spores than in the control, indicating that plasma treatment causes structural modifications and/or damage to cellular components. Tryptophan fluorescence intensity was lower in the plasma-treated spores than in the control, suggesting that plasma treatment modified cell wall proteins. Changes in spore viability and DNA content were attributed to structural modification of the cell wall by reactive species coming from the APPJ and the PAW. Our results provided evidence that the plasma radicals and the derived reactive species play critical roles in fungal spore inactivation.

  4. X-ray absorption fine structure study of aging behavior of oxidized copper in CdTe films

    SciTech Connect

    Liu, Xiangxin; Compaan, A.D.; Terry, J.

    2005-10-19

    We have used the MR-CAT beamline of the Advanced Photon Source at Argonne National Laboratory to study the fine structure in the Cu K-edge X-ray absorption in 2 {micro}m thick polycrystalline films of CdTe on fused silica. 4 nm of evaporated Cu is diffused either with or without prior vapor CdCl{sub 2} treatments in dry air. The phase-uncorrected radial distribution function inferred from the absorption fine structure indicates predominantly Cu{sub 2}Te when Cu is diffused into the as-deposited CdTe film but indicates a Cu{sub 2}O environment when Cu is diffused after the vapor CdCl{sub 2} treatment. We believe most of the diffused Cu decorates grain boundaries as oxides, consistent with the low doping densities typically observed in CdTe solar cells. This Cu{sub 2}O likely plays a role in grain-boundary passivation. We also found that the chemical environment around Cu atoms in both CdTe and real cells can change with light soaking. This instability of Cu{sub 2}O in sputtered CdTe could contribute to cell degradation.

  5. Dynamics of femtosecond laser ablation studied with time-resolved x-ray absorption fine structure imaging

    SciTech Connect

    Oguri, Katsuya; Okano, Yasuaki; Nishikawa, Tadashi; Nakano, Hidetoshi

    2009-04-01

    We studied the dynamics of the femtosecond laser ablation of aluminum in an energy range well above the ablation threshold with the ultrafast time-resolved x-ray-absorption fine structure imaging technique. Analyzing the spectral structures near the L absorption edge that appeared in one-dimensional images of soft-x-ray absorbance, we successfully identified doubly and singly charged ions, neutral atoms, liquid nanoparticles, and possible atomic clusters in the expanding ablation plume. We also clarified that the ejected particles depend strongly on the laser irradiation intensity. The spatiotemporal evolution of the ablation particles allows us to estimate the spatial distribution of atomic density and the ejection velocity of each type of particle. In particular, we discuss the temporal sequence of the particle ejection in the early stages of plume expansion. Our experimental results strongly support the idea that photomechanical fragmentation and vaporization are dominant mechanisms for the production of liquid nanoparticles and neutral atoms, respectively, in femtosecond laser ablation induced in an irradiation intensity range of 10{sup 14}-10{sup 15} W/cm{sup 2}.

  6. Retrieval and molecule sensitivity studies for the global ozone monitoring experiment and the scanning imaging absorption spectrometer for atmospheric chartography

    NASA Technical Reports Server (NTRS)

    Chance, Kelly V.; Burrows, John P.; Schneider, Wolfgang

    1991-01-01

    The Global Ozone Monitoring Experiment (GOME) and the SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY (SCIAMACHY) are diode based spectrometers that will make atmospheric constituent and aerosol measurements from European satellite platforms beginning in the mid 1990's. GOME measures the atmosphere in the UV and visible in nadir scanning, while SCIAMACHY performs a combination of nadir, limb, and occultation measurements in the UV, visible, and infrared. A summary is presented of the sensitivity studies that were performed for SCIAMACHY measurements. As the GOME measurement capability is a subset of the SCIAMACHY measurement capability, the nadir, UV, and visible portion of the studies is shown to apply to GOME as well.

  7. The effects of bathing in hot springs on the absorption of green tea catechin: a pilot study.

    PubMed

    Hayasaka, Shinya; Goto, Yasuaki; Maeda-Yamamoto, Mari

    2013-11-01

    Japan is a major tea producing country, and green tea is known for its health benefits which are believed to be due to catechins. However, difficulties in maintaining an adequate amount of catechins in the blood have been reported. Another important health-promoting activity among the Japanese is bathing in hot springs. This pilot study examined whether the combined effects of green tea consumption and hot spring bathing improved absorption of green tea catechins. The study, with a comparative within-subject design involving two different intervention trials--green tea consumption with hot spring bathing and only green tea consumption--was conducted on 2 separate days. Plasma levels of catechin; (-)-epigallocatechin-3-O-gallate (EGCG) were analyzed from four volunteers. Plasma EGCG concentration was found to be higher for the combined trial of green tea consumption and hot spring bathing.

  8. In search of metal hydrides: an X-ray absorption and emission study of [NiFe] hydrogenase model complexes.

    PubMed

    Hugenbruch, Stefan; Shafaat, Hannah S; Krämer, Tobias; Delgado-Jaime, Mario Ulises; Weber, Katharina; Neese, Frank; Lubitz, Wolfgang; DeBeer, Serena

    2016-04-28

    Metal hydrides are invoked as important intermediates in both chemical and biological H2 production. In the [NiFe] hydrogenase enzymes, pulsed EPR and high-resolution crystallography have argued that the hydride interacts primarily at the Ni site. In contrast, in [NiFe] hydrogenase model complexes, it is observed that the bridging hydride interacts primarily with the Fe. Herein, we utilize a combination of Ni and Fe X-ray absorption (XAS) and emission (XES) spectroscopies to examine the contribution of the bridging hydride to the observed spectral features in [(dppe)Ni(μ-pdt)(μ-H)Fe(CO)3](+). The corresponding data on (dppe)Ni(μ-pdt)Fe(CO)3 are used as a reference for the changes that occur in the absence of a hydride bridge. For further interpretation of the observed spectral features, all experimental spectra were calculated using a density functional theory (DFT) approach, with excellent agreement between theory and experiment. It is found that the iron valence-to-core (VtC) XES spectra reveal clear signatures for the presence of a Fe-H interaction in the hydride bridged model complex. In contrast, the Ni VtC XES spectrum largely reflects changes in the local Ni geometry and shows little contribution from a Ni-H interaction. A stepwise theoretical analysis of the hydride contribution and the Ni site symmetry provides insights into the factors, which govern the different metal-hydride interactions in both the model complexes and the enzyme. Furthermore, these results establish the utility of two-color XES to reveal important insights into the electronic structure of various metal-hydride species. PMID:26924248

  9. Absorption, metabolism, and effects at transcriptome level of a standardized French oak wood extract, Robuvit, in healthy volunteers: pilot study.

    PubMed

    Natella, Fausta; Leoni, Guido; Maldini, Mariateresa; Natarelli, Lucia; Comitato, Raffaella; Schonlau, Frank; Virgili, Fabio; Canali, Raffaella

    2014-01-15

    The consumption of wine and spirits, traditionally aged in oak barrels, exposes humans to roburin ingestion. These molecules belong to a class of ellagitannins (ETs), and their only known source is oak wood. Very little is currently known about roburin bioavailability and biological activity. We reported for the first time human absorption of roburins from a French oak wood (Quercus robur) water extract (Robuvit) by measuring the increase of total phenols (from 0.63 ± 0.06 to 1.26 ± 0.18 μg GAE equiv/mL plasma) and the appearance of roburin metabolites (three different glucoronidate urolithins and ellagic acid), in plasma, after 5 days of supplementation. Robuvit supplementation induced also the increase of plasma antioxidant capacity from 1.8 ± 0.05 to 1.9 ± 0.01 nmol Trolox equiv/mL plasma. Moreover, utilizing a combined ex vivo cell culture approach, we assessed the effect of Q. robur metabolites (present in human serum after supplementation) on gene expression modulation, utilizing an Affymetrix array matrix, in endothelial, neuronal, and keratinocyte cell lines. The functional analysis reveals that Robuvit metabolites affect ribosome, cell cycle, and spliceosome pathways.

  10. Photoluminescence and extended X-ray absorption fine structure studies on cadmium telluride material

    NASA Astrophysics Data System (ADS)

    Liu, Xiangxin

    The direct-band-gap semiconductor CdTe is an important material for fabricating high efficiency, polycrystalline thin-film solar cells in a heterojunction configuration. The outstanding physical properties of this material such as its good band-gap match to the solar spectrum, ease of fabrication of stoichiometric films, and easy grain boundary passivation make it an important candidate for large area, thin-film solar cells. However, there are several poorly understood processing steps that are commonly utilized in cell fabrication. One of these is a CdCl2 treatment near 400°C in the presence of oxygen, which can improve the cell efficiency a factor of two or more. Another factor is the role of copper in cell performance. In high performance CdS/CdTe thin-film solar cells, copper is usually included in the fabrication of low-resistance back contacts to obtain heavy p-type doping of the absorber CdTe at the contact. However, most of the copper is not electrically active. For example, secondary ion mass spectroscopy (SIMS) on typical CdTe cells has shown Cu concentrations of 1019 atoms/cm3 and even higher, although capacitance-voltage (C-V) measurements indicate typical ionized acceptor levels on the order of 1014/cm 3. Thus, there is great interest in the location and role of this inactive copper in CdTe photovoltaic (PV) devices. In this thesis, I will describe results obtained on magnetron-sputtered CdTe films that were diffused with copper following the procedure used for creating a cell back contact. Extended X-ray Absorption Fine Structure (EXAFS) measurements identified the chemical environment of the majority of the copper and show major differences depending on whether the CdTe film has been treated with chloride prior to the Cu diffusion. The EXAFS data indicate that the Cu chemistry is strongly affected by the chloride treatments---predominantly Cu2Te when Cu was diffused into the as-deposited CdTe film, but a Cu2O environment when Cu was diffused after

  11. Simulation studies of multi-line line-of-sight tunable-diode-laser absorption spectroscopy performance in measuring temperature probability distribution function

    NASA Astrophysics Data System (ADS)

    Zhang, Guang-Le; Liu, Jian-Guo; Kan, Rui-Feng; Xu, Zhen-Yu

    2014-12-01

    Line-of-sight tunable-diode-laser absorption spectroscopy (LOS-TDLAS) with multiple absorption lines is introduced for non-uniform temperature measurement. Temperature binning method combined with Gauss—Seidel iteration method is used to measure temperature probability distribution function (PDF) along the line-of-sight (LOS). Through 100 simulated measurements, the variation of measurement accuracy is investigated with the number of absorption lines, the number of temperature bins and the magnitude of temperature non-uniformity. A field model with 2-T temperature distribution and 15 well-selected absorption lines are used for the simulation study. The Gauss—Seidel iteration method is discussed for its reliability. The investigation result about the variation of measurement accuracy with the number of temperature bins is different from the previous research results.

  12. Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni²⁺ and Zn²⁺ reveals a role for the disordered C-terminal arm in metal trafficking.

    PubMed

    Banaszak, Katarzyna; Martin-Diaconescu, Vlad; Bellucci, Matteo; Zambelli, Barbara; Rypniewski, Wojciech; Maroney, Michael J; Ciurli, Stefano

    2012-02-01

    The survival and growth of the pathogen Helicobacter pylori in the gastric acidic environment is ensured by the activity of urease, an enzyme containing two essential Ni²⁺ ions in the active site. The metallo-chaperone UreE facilitates in vivo Ni²⁺ insertion into the apoenzyme. Crystals of apo-HpUreE (H. pylori UreE) and its Ni⁺- and Zn⁺-bound forms were obtained from protein solutions in the absence and presence of the metal ions. The crystal structures of the homodimeric protein, determined at 2.00 Å (apo), 1.59 Å (Ni²⁺) and 2.52 Å (Zn²⁺) resolution, show the conserved proximal and solvent-exposed His¹⁰² residues from two adjacent monomers invariably involved in metal binding. The C-terminal regions of the apoprotein are disordered in the crystal, but acquire significant ordering in the presence of the metal ions due to the binding of His¹⁵². The analysis of X-ray absorption spectral data obtained using solutions of Ni²⁺- and Zn²⁺-bound HpUreE provided accurate information of the metal-ion environment in the absence of solid-state effects. These results reveal the role of the histidine residues at the protein C-terminus in metal-ion binding, and the mutual influence of protein framework and metal-ion stereo-electronic properties in establishing co-ordination number and geometry leading to metal selectivity.

  13. Zinc cysteine active sites of metalloproteins: a density functional theory and x-ray absorption fine structure study.

    PubMed

    Dimakis, Nicholas; Farooqi, Mohammed Junaid; Garza, Emily Sofia; Bunker, Grant

    2008-03-21

    Density functional theory (DFT) and x-ray absorption fine structure (XAFS) spectroscopy are complementary tools for the biophysical study of active sites in metalloproteins. DFT is used to compute XAFS multiple scattering Debye Waller factors, which are then employed in genetic algorithm-based fitting process to obtain a global fit to the XAFS in the space of fitting parameters. Zn-Cys sites, which serve important functions as transcriptional switches in Zn finger proteins and matrix metalloproteinases, previously have proven intractable by this method; here these limitations are removed. In this work we evaluate optimal DFT nonlocal functionals and basis sets for determining optimal geometries and vibrational densities of states of mixed ligation Zn(His)(4-n)(Cys)(n) sites. Theoretical results are compared to experimental XAFS measurements and Raman spectra from the literature and tabulated for use.

  14. In-situ extended X-ray absorption fine structure study of electrostriction in Gd doped ceria

    SciTech Connect

    Korobko, Roman; Wachtel, Ellen; Lubomirsky, Igor; Lerner, Alyssa; Li, Yuanyuan; Frenkel, Anatoly I.

    2015-01-26

    Studying electric field-induced structural changes in ceramics is challenging due to the very small magnitude of the atomic displacements. We used differential X-ray absorption spectroscopy, an elementally specific and spatially sensitive method, to detect such changes in Gd-doped ceria, recently shown to exhibit giant electrostriction. We found that the large electrostrictive stress generation can be associated with a few percent of unusually short Ce-O chemical bonds that change their length and degree of order under an external electric field. The remainder of the lattice is reduced to the role of passive spectator. This mechanism is fundamentally different from that in electromechanically active materials currently in use.

  15. Simulation study of the thermal and the thermoelastic effects induced by pulsed laser absorption in human skin

    NASA Astrophysics Data System (ADS)

    Kim, Jae-Young; Jang, Kyungmin; Yang, Seung-Jin; Baek, Jun-Hyeok; Park, Jong-Rak; Yeom, Dong-Il; Kim, Ji-Sun; Kim, Hyung-Sik; Jun, Jae-Hoon; Chung, Soon-Cheol

    2016-04-01

    We studied the thermal and the mechanical effects induced by pulsed laser absorption in human skin by numerically solving the heat-transfer and the thermoelastic wave equations. The simulation of the heat-transfer equation yielded the spatiotemporal distribution of the temperature increase in the skin, which was then used in the driving term of the thermoelastic wave equation. We compared our simulation results for the temperature increase and the skin displacements with the measured and numerical results, respectively. For the comparison, we used a recent report by Jun et al. [Sci. Rep. 5, 11016 (2015)], who measured in vivo skin temperature and performed numerical simulation of the thermoelastic wave equation using a simple assumption about the temporal evolution of the temperature distribution, and found their results to be in good agreement with our results. In addition, we obtained solutions for the stresses in the human skin and analyzed their dynamic behaviors in detail.

  16. Electrothermal atomization atomic absorption spectrometry for the determination of lead in urine: results of an interlaboratory study

    NASA Astrophysics Data System (ADS)

    Parsons, Patrick J.; Slavin, Walter

    1999-05-01

    Results of an interlaboratory study are reported for the determination of lead in urine. Two levels of a lyophilized material containing biologically-bound lead were prepared using pooled urine obtained from lead-poisoned children undergoing the CaNa 2EDTA mobilization test. The materials were circulated to a group of reference laboratories that participate in the `New York State Proficiency Testing Program for Blood Lead'. Results of the initial round-robin gave all-method consensus target values of 145±22 μg/l (S.D.) for lot 17 and 449±43 μg/l (S.D.) for lot 20. The interlaboratory exercise was repeated some 5 years later and consensus target values were re-calculated using the grand mean (excluding outliers) of results reported by laboratories using electrothermal atomization atomic absorption spectrometry (ETAAS). The re-calculated target values were 139±10 μg/l (S.D.) and 433±12 μg/l (S.D.). The urine reference materials were also analyzed for lead by several laboratories using other instrumental techniques including isotope dilution (ID), inductively coupled plasma (ICP) mass spectrometry (MS), flame atomic absorption with extraction, ICP-atomic emission spectrometry, ID-gas chromatography MS and flow injection-hydride generation AAS, thus providing a rich source of analytical data with which to characterize them. The materials were also used in a long-term validation study of an ETAAS method developed originally for blood lead determinations that has since been used unmodified for the determination of lead in urine also. Recently, urine lead method performance has been tracked in a proficiency testing program specifically for this analysis. In addition, a number of commercial control materials have been analyzed and evaluated.

  17. Weight in infancy and adult calcium absorption as determinants of bone mineral density in adult men: the Hertfordshire cohort study.

    PubMed

    Patel, M B R; Makepeace, A E; Jameson, K A; Masterson, L M; Holt, R I G; Swaminathan, R; Javaid, M K; Cooper, C; Arden, N K

    2012-12-01

    Adult bone mass is modified by early life environmental influences, but the mechanism of this association is uncertain. Data support an inverse relationship between intestinal calcium absorption (αCa) and birth weight in women. However, little is known regarding determinants in men. This study examines the association between weight in infancy and adult αCa in healthy men and whether this could be a mechanism by which the early life environment may influence bone mass. Men were recruited from the MRC Hertfordshire Cohort Study, for whom detailed early life records were available. Areal bone mineral density (aBMD) was measured using a Hologic QDR 4500 at the femoral neck (FN) and lumbar spine. We randomly selected 123 men stratified by birth weight and assessed αCa using the stable strontium absorption test. The mean age was 63.6 (SD 2.5) years. αCa was not associated with birth weight or weight at 1 year. FN aBMD was associated with both weight at 1 year (r = 0.20, p = 0.03) and αCa (r = 0.20, p = 0.03). Both of these associations remained statistically significant in a mutually adjusted, multivariable model but would account for only ~4 % variance in BMD. We demonstrated a positive association between weight at 1 year and aBMD and between αCa and FN BMD, but no association was found between birth weight and αCa. This suggests that in men, although αCa is a contributing factor in FN bone density, it is not the main mechanism whereby the early environment modifies adult BMD. PMID:23010962

  18. Optical absorption of silicon nanowires

    SciTech Connect

    Xu, T.; Lambert, Y.; Krzeminski, C.; Grandidier, B.; Stievenard, D.; Leveque, G.; Akjouj, A.; Pennec, Y.; Djafari-Rouhani, B.

    2012-08-01

    We report on simulations and measurements of the optical absorption of silicon nanowires (NWs) versus their diameter. We first address the simulation of the optical absorption based on two different theoretical methods: the first one, based on the Green function formalism, is useful to calculate the scattering and absorption properties of a single or a finite set of NWs. The second one, based on the finite difference time domain (FDTD) method, is well-adapted to deal with a periodic set of NWs. In both cases, an increase of the onset energy for the absorption is found with increasing diameter. Such effect is experimentally illustrated, when photoconductivity measurements are performed on single tapered Si nanowires connected between a set of several electrodes. An increase of the nanowire diameter reveals a spectral shift of the photocurrent intensity peak towards lower photon energies that allow to tune the absorption onset from the ultraviolet radiations to the visible light spectrum.

  19. An integrated multi-omics study revealed metabolic alterations underlying the effects of coffee consumption.

    PubMed

    Takahashi, Shoko; Saito, Kenji; Jia, Huijuan; Kato, Hisanori

    2014-01-01

    Many epidemiological studies have indicated that coffee consumption may reduce the risks of developing obesity and diabetes, but the underlying mechanisms of these effects are poorly understood. Our previous study revealed the changes on gene expression profiles in the livers of C57BL/6J mice fed a high-fat diet containing three types of coffee (caffeinated, decaffeinated and green unroasted coffee), using DNA microarrays. The results revealed remarkable alterations in lipid metabolism-related molecules which may be involved in the anti-obesity effects of coffee. We conducted the present study to further elucidate the metabolic alterations underlying the effects of coffee consumption through comprehensive proteomic and metabolomic analyses. Proteomics revealed an up-regulation of isocitrate dehydrogenase (a key enzyme in the TCA cycle) and its related proteins, suggesting increased energy generation. The metabolomics showed an up-regulation of metabolites involved in the urea cycle, with which the transcriptome data were highly consistent, indicating accelerated energy expenditure. The TCA cycle and the urea cycle are likely be accelerated in a concerted manner, since they are directly connected by mutually providing each other's intermediates. The up-regulation of these pathways might result in a metabolic shift causing increased ATP turnover, which is related to the alterations of lipid metabolism. This mechanism may play an important part in the suppressive effects of coffee consumption on obesity, inflammation, and hepatosteatosis. This study newly revealed global metabolic alterations induced by coffee intake, providing significant insights into the association between coffee intake and the prevention of type 2 diabetes, utilizing the benefits of multi-omics analyses. PMID:24618914

  20. An Integrated Multi-Omics Study Revealed Metabolic Alterations Underlying the Effects of Coffee Consumption

    PubMed Central

    Takahashi, Shoko; Saito, Kenji; Jia, Huijuan; Kato, Hisanori

    2014-01-01

    Many epidemiological studies have indicated that coffee consumption may reduce the risks of developing obesity and diabetes, but the underlying mechanisms of these effects are poorly understood. Our previous study revealed the changes on gene expression profiles in the livers of C57BL/6J mice fed a high-fat diet containing three types of coffee (caffeinated, decaffeinated and green unroasted coffee), using DNA microarrays. The results revealed remarkable alterations in lipid metabolism-related molecules which may be involved in the anti-obesity effects of coffee. We conducted the present study to further elucidate the metabolic alterations underlying the effects of coffee consumption through comprehensive proteomic and metabolomic analyses. Proteomics revealed an up-regulation of isocitrate dehydrogenase (a key enzyme in the TCA cycle) and its related proteins, suggesting increased energy generation. The metabolomics showed an up-regulation of metabolites involved in the urea cycle, with which the transcriptome data were highly consistent, indicating accelerated energy expenditure. The TCA cycle and the urea cycle are likely be accelerated in a concerted manner, since they are directly connected by mutually providing each other's intermediates. The up-regulation of these pathways might result in a metabolic shift causing increased ATP turnover, which is related to the alterations of lipid metabolism. This mechanism may play an important part in the suppressive effects of coffee consumption on obesity, inflammation, and hepatosteatosis. This study newly revealed global metabolic alterations induced by coffee intake, providing significant insights into the association between coffee intake and the prevention of type 2 diabetes, utilizing the benefits of multi-omics analyses. PMID:24618914

  1. Single-molecule studies reveal the function of a third polymerase in the replisome

    PubMed Central

    Georgescu, Roxana E; Kurth, Isabel; O'Donnell, Mike E

    2013-01-01

    The Escherichia coli replisome contains three polymerases, one more than necessary to duplicate the two parental strands. Using single-molecule studies, we reveal two advantages conferred by the third polymerase. First, dipolymerase replisomes are inefficient at synthesizing lagging strands, leaving single-strand gaps, whereas tripolymerase replisomes fill strands almost to completion. Second, tripolymerase replisomes are much more processive than dipolymerase replisomes. These features account for the unexpected three-polymerase-structure of bacterial replisomes. PMID:22157955

  2. Local structure of Fe in Fe-doped misfit-layered calcium cobaltite: An X-ray absorption spectroscopy study

    SciTech Connect

    Prasoetsopha, Natkrita; Pinitsoontorn, Supree; Bootchanont, Atipong; Kidkhunthod, Pinit; Srepusharawoot, Pornjuk; Kamwanna, Teerasak; Amornkitbamrung, Vittaya; Kurosaki, Ken; Yamanaka, Shinsuke

    2013-08-15

    Polycrystalline Ca{sub 3}Co{sub 4−x}Fe{sub x}O{sub 9+δ} ceramics (x=0, 0.01, 0.03, 0.05) were fabricated using a simple thermal hydro-decomposition method and a spark plasma sintering technique. Thermoelectric property measurements showed that increasing Fe concentration resulted in a decrease in electrical resistivity, thermopower and thermal conductivity, leading to an improvement in the dimensionless figure-of-merit, >35% for x=0.05 at 1073 K. An X-ray absorption spectroscopy technique was used to investigate the local structure of Fe ions in the Ca{sub 3}Co{sub 4−x}Fe{sub x}O{sub 9+δ} structure for the first time. By fitting data from the extended X-ray absorption fine structure (EXAFS) spectra and analyzing the X-ray absorption near-edge structure (XANES) spectra incorporated with first principle simulation, it was shown that Fe was substituted for Co in the the Ca{sub 2}CoO{sub 3} (rocksalt, RS) layer rather than in the CoO{sub 2} layer. Variation in the thermoelectric properties as a function of Fe concentration was attributed to charge transfer between the CoO{sub 2} and the RS layers. The origin of the preferential Fe substitution site was investigated considering the ionic radii of Co and Fe and the total energy of the system. - Graphical abstract: The Fe K-edge XANES spectra of: (a) experimental result in comparison to the simulated spectra when Fe atoms were substituted in the RS layer; (b) with magnetic moment; (c) without magnetic moment, and in the CoO{sub 2} layer; (d) with magnetic moment and (e) without magnetic moment. Highlights: • Synthesis, structural studies, and thermoelectric properties of Ca{sub 3}Co{sub 4−x}Fe{sub x}O{sub 9+δ}. • Direct evidence for the local structure of the Fe ions in the Ca{sub 3}Co{sub 4−x}Fe{sub x}O{sub 9+δ} using XAS analysis. • EXAFS and XANES analysis showed that Fe was likely to be situated in the RS layer structure. • Changes in TE property with Fe content was due to charge transfer between

  3. Transition state region in the A-Band photodissociation of allyl iodide--A femtosecond extreme ultraviolet transient absorption study.

    PubMed

    Bhattacherjee, Aditi; Attar, Andrew R; Leone, Stephen R

    2016-03-28

    Femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy based on a high-harmonic generation source is used to study the 266 nm induced A-band photodissociation dynamics of allyl iodide (CH2 =CHCH2I). The photolysis of the C-I bond at this wavelength produces iodine atoms both in the ground ((2)P3/2, I) and spin-orbit excited ((2)P1/2, I*) states, with the latter as the predominant channel. Using XUV absorption at the iodine N4/5 edge (45-60 eV), the experiments constitute a direct probe of not only the long-lived atomic iodine reaction products but also the fleeting transition state region of the repulsive nIσ(∗) C-I excited states. Specifically, three distinct features are identified in the XUV transient absorption spectrum at 45.3 eV, 47.4 eV, and 48.4 eV (denoted transients A, B, and C, respectively), which arise from the repulsive valence-excited nσ(∗) states and project onto the high-lying core-excited states of the dissociating molecule via excitation of 4d(I) core electrons. Transients A and B originate from 4d(I) → n(I) core-to-valence transitions, whereas transient C is best assigned to a 4d(I) →σ(∗)(C-I) transition. The measured differential absorbance of these new features along with the I/I* branching ratios known from the literature is used to suggest a more definitive assignment, albeit provisional, of the transients to specific dissociative states within the A-band manifold. The transients are found to peak around 55 fs-65 fs and decay completely by 145 fs-185 fs, demonstrating the ability of XUV spectroscopy to map the evolution of reactants into products in real time. The similarity in the energies of transients A and B with analogous features observed in methyl iodide [Attar et al. J. Phys. Chem. Lett. 6, 5072, (2015)] together with the new observation of transient C in the present work provides a more complete picture of the valence electronic structure in the transition state region. The results provide a benchmark

  4. Effect of curing agent polarity on water absorption and free volume in epoxy resin studied by PALS

    NASA Astrophysics Data System (ADS)

    Wang, Junjun; Gong, Jing; Gong, Zhenli; Yan, Xiaoli; Wang, Bo; Wu, Qili; Li, Shanjun

    2010-07-01

    Microstructure and water absorption were systematically studied by positron annihilation lifetime spectroscopy (PALS), gravimetric measurements and Differential Scanning Calorimetry (DSC) for epoxy resins DER331 (E51) cured with three different kinds of amine curing agents DDS, DDM and MOCA. Experimental results indicated that the water absorption as a function of immersed time could be well fitted to Fick's second law. Based on the gravimetric measurement, we found that the equilibrium water sorption M∞ and the diffusion coefficients D of the epoxy resins have an order: E51-DDS > E51-DDM > E51-MOCA, which indicated that the curing agent plays an important role in determining the content of the water absorbed. Positron experimental results showed that the o-Ps lifetime dramatically decreased with the immersed time from 0 to 6 h, which suggested that water molecules were filled into free-volume holes and the interaction between the water-polymer decreased the mobility of molecular chains. In order to deeply discern the influence of water absorption upon the free volume, the continuous lifetime analysis, i.e. the maximum entropy lifetime method (MELT) was employed to obtain the distributions of the ortho-positronium (o-Ps) lifetime and the of the free-volume holes. From MELT analyses, we found the existences of two the long-lived components ( τ3 and τ4), which indicated that two kinds of different o-Ps states exist. The shorter long-lived component ( τ3) is related to the segmental packing density in local ordered region. Compared to dry sample, two peaks of the o-Ps lifetime and the free-volume hole in the wet samples all drift to low values, especially, this drifts is more marked for the water sorption occurring at higher temperature 75 °C. This fact suggested that when the epoxy resin is in the glassy state, the interaction between the water and matrix restricts the motion of segmental chains and prevents from the free-volume hole swelling.

  5. Transition state region in the A-Band photodissociation of allyl iodide—A femtosecond extreme ultraviolet transient absorption study

    NASA Astrophysics Data System (ADS)

    Bhattacherjee, Aditi; Attar, Andrew R.; Leone, Stephen R.

    2016-03-01

    Femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy based on a high-harmonic generation source is used to study the 266 nm induced A-band photodissociation dynamics of allyl iodide (CH2 =CHCH2I). The photolysis of the C—I bond at this wavelength produces iodine atoms both in the ground (2P3/2, I) and spin-orbit excited (2P1/2, I*) states, with the latter as the predominant channel. Using XUV absorption at the iodine N4/5 edge (45-60 eV), the experiments constitute a direct probe of not only the long-lived atomic iodine reaction products but also the fleeting transition state region of the repulsive nIσ∗C—I excited states. Specifically, three distinct features are identified in the XUV transient absorption spectrum at 45.3 eV, 47.4 eV, and 48.4 eV (denoted transients A, B, and C, respectively), which arise from the repulsive valence-excited nσ∗ states and project onto the high-lying core-excited states of the dissociating molecule via excitation of 4d(I) core electrons. Transients A and B originate from 4d(I) → n(I) core-to-valence transitions, whereas transient C is best assigned to a 4d(I) →σ∗(C—I) transition. The measured differential absorbance of these new features along with the I/I* branching ratios known from the literature is used to suggest a more definitive assignment, albeit provisional, of the transients to specific dissociative states within the A-band manifold. The transients are found to peak around 55 fs-65 fs and decay completely by 145 fs-185 fs, demonstrating the ability of XUV spectroscopy to map the evolution of reactants into products in real time. The similarity in the energies of transients A and B with analogous features observed in methyl iodide [Attar et al. J. Phys. Chem. Lett. 6, 5072, (2015)] together with the new observation of transient C in the present work provides a more complete picture of the valence electronic structure in the transition state region. The results provide a benchmark for

  6. Ray tracing to study of waxes around the cloud point by optical absorption tomography

    NASA Astrophysics Data System (ADS)

    Moreno-Alvarez, L.; Meneses-Fabian, C.; Herrera, J. N.; Rodríguez-Zurita, G.

    2011-10-01

    In optical tomography of parallel projections, the light rays that cross the slice of the object are experimentally approached to suffer minimal refraction, i.e. take refractional limits. Generally, a media is used for immersion whose refractive index rate tied the environment to study, but the geometry of the containment vessels also affects refraction and may be the case that the approach is not subject performed. In this work we make a numerical study of the refraction of a ray of light that enters a typical experimental system for studying the thermodynamic behaviour of a paraffinic wax around their cloud point. Since it has special properties in the heat capacity and refractive index near the phase transition, these results will be used to characterize the transition and is intended to give tomographic information to the study of thermal properties obtained using the T-History calorimetric technique. In this study, we simulate the behaviour of the refraction of parallel rays crossing the T-History test system to find the optimal values of the dimensions of the containment vessels and the index of refraction of the medium for immersion, considering that the optical properties of the sample under study vary with temperature. Thus, we obtain the optimum conditions of minimum refraction technique for which reconstruction of a tomographic slice parallel projection can be applied. The distribution of the linear attenuation coefficient on the slice of the object, typically, is obtained by applying the filtered backprojection algorithm to the set of projections (sinogram) obtained experimentally, which constitutes a way to detect mobile interfacial boundaries in real time. The projections are sequentially measuring the intensity of the wave emerging from the slice of the object at different angles.

  7. Local structure studies of Fe2TeO6 using x-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Singh, Harishchandra; Yadav, A. K.

    2016-05-01

    In the present study, we have performed EXAFS measurements on powder samples of Fe2TeO6 (FTO) to probe the local structure surrounding at the Fe site. The structural parameters (atomic coordination and lattice parameters) of FTO used for simulation of theoretical EXAFS spectra of the samples have been obtained from Rietveld refined structure on synchrotron X-ray Diffraction (SXRD) data. Quite similar and satisfactory structural parameters have been obtained from both the study, indicating goodness of synchrotron structural analysis over EXAFS analysis. SXRD and EXAFS results shows absence of any secondary phase proves current synthesis superior over reported techniques.

  8. An Inexpensive High Pressure Optical Absorption Cell for IR-VIS-UV Studies.

    ERIC Educational Resources Information Center

    Rodgers, V. E.; Angell, C. A.

    1983-01-01

    Describes an optical cell, suitable for high-pressure studies between at least -130 and +150 degrees Celsius, which may be assembled for about $50. Discusses experimental demonstration of principles involved when using the apparatus, including effects of pressure on coordination of ions in solution and on reaction rates in solution. (JN)

  9. Percutaneous absorption of salicylic acid--in vitro and in vivo studies.

    PubMed

    Mateus, Rita; Moore, David J; Hadgraft, Jonathan; Lane, Majella E

    2014-11-20

    Salicylic acid (SA) has been used in pharmaceutical and cosmetic preparations for many years. Although there are a number of studies which report on the permeation characteristics of this molecule in vitro, to our knowledge the disposition of SA in vivo has not been studied in detail. In the present work we prepared a range of SA formulations with different gelling agents. Permeation of SA from the formulations was studied in vitro using conventional Franz cells and in vivo using confocal Raman spectroscopy (CRS). Selection of the gelling agent clearly influenced the efficacy of SA delivery from all formulations. It was possible to detect SA in vivo using CRS and to depth profile the molecule. A good in vitro-in vivo correlation was also found when the cumulative amounts of SA which permeated in vitro were plotted against the CRS signal in the skin. The findings provide further confidence in the application of CRS for the study of drug disposition in the skin.

  10. A comparative study of optical absorption and photocatalytic properties of nanocrystalline single-phase anatase and rutile TiO{sub 2} doped with transition metal cations

    SciTech Connect

    Kernazhitsky, L.; Shymanovska, V.; Gavrilko, T.; Naumov, V.; Kshnyakin, V.; Khalyavka, T.

    2013-02-15

    The effect of nanocrystalline TiO{sub 2} doping with transition metal cations (Cu{sup 2+}, Fe{sup 3+}, Co{sup 2+}, Cr{sup 3+}) on their optical absorption and photocatalytic properties was investigated. The obtained metal-doped TiO{sub 2} samples were characterized by X-ray diffraction, scanning electron microscopy, and UV-vis absorption spectroscopy. It is shown that doping effect on anatase (A) and rutile (R) properties is quite different, being much stronger and complicated on A than on R. Contrary to doped R, doped A revealed a significant red shift of the absorption edge along with the band gap narrowing. Photocatalytic activity of anatase increases upon doping in the order: AR/Co>R/Cu>R/Fe>R/Cr, indicating the inhibitory effect of impurity cations. This fact correlates with the decrease in the UV absorption of the doped rutile in the region of the Hg-lamp irradiation at 4.88 eV. - Graphical abstract: A red shift of the absorption edge of nanocrystalline single-phase anatase after doping with transition metal cations. Highlights: Black-Right-Pointing-Pointer Single-phase anatase and rutile powders surface-doped with transition metal cations. Black-Right-Pointing-Pointer Absorption edge and band gap of rutile do not change with surface doping. Black-Right-Pointing-Pointer Band gap of surface-doped anatase reduces being the lowest for A/Fe. Black-Right-Pointing-Pointer The surface-doping improves photocatalytic activity of anatase. Black-Right-Pointing-Pointer The surface-doping inhibits photocatalytic activity of rutile.

  11. Hydrogen Adsorption, Absorption and Diffusion on and in Transition Metal Surfaces: A DFT Study

    SciTech Connect

    Ferrin, Peter A.; Kandoi, Shampa; Nilekar, Anand U.; Mavrikakis, Manos

    2012-01-04

    Periodic, self-consistent DFT-GGA(PW91) calculations are used to study the interaction of hydrogen with different facets of seventeen transition metals—the (100) and (111) facets of face-centered cubic (fcc) metals, the (0001) facet of hexagonal-close packed (hcp) metals, and the (100) and (110) facets of body-centered cubic (bcc) metals. Calculated geometries and binding energies for surface and subsurface hydrogen are reported and are, in general, in good agreement with both previous modeling studies and experimental data. There are significant differences between the binding on the close-packed and more open (100) facets of the same metal. Geometries of subsurface hydrogen on different facets of the same metal are generally similar; however, binding energies of hydrogen in the subsurface of the different facets studied showed significant variation. Formation of surface hydrogen is exothermic with respect to gas-phase H₂ on all metals studied with the exception of Ag and Au. For each metal studied, hydrogen in its preferred subsurface state is always less stable than its preferred surface state. The magnitude of the activation energy for hydrogen diffusion from the surface layer into the first subsurface layer is dominated by the difference in the thermodynamic stability of these two states. Diffusion from the first subsurface layer to one layer further into the bulk does not generally have a large thermodynamic barrier but still has a moderate kinetic barrier. Despite the proximity to the metal surface, the activation energy for hydrogen diffusion from the first to the second subsurface layer is generally similar to experimentally-determined activation energies for bulk diffusion found in the literature. There are also some significant differences in the activation energy for hydrogen diffusion into the bulk through different facets of the same metal.

  12. ABSORPTION ANALYZER

    DOEpatents

    Brooksbank, W.A. Jr.; Leddicotte, G.W.; Strain, J.E.; Hendon, H.H. Jr.

    1961-11-14

    A means was developed for continuously computing and indicating the isotopic assay of a process solution and for automatically controlling the process output of isotope separation equipment to provide a continuous output of the desired isotopic ratio. A counter tube is surrounded with a sample to be analyzed so that the tube is exactly in the center of the sample. A source of fast neutrons is provided and is spaced from the sample. The neutrons from the source are thermalized by causing them to pass through a neutron moderator, and the neutrons are allowed to diffuse radially through the sample to actuate the counter. A reference counter in a known sample of pure solvent is also actuated by the thermal neutrons from the neutron source. The number of neutrons which actuate the detectors is a function of a concentration of the elements in solution and their neutron absorption cross sections. The pulses produced by the detectors responsive to each neu tron passing therethrough are amplified and counted. The respective times required to accumulate a selected number of counts are measured by associated timing devices. The concentration of a particular element in solution may be determined by utilizing the following relation: T2/Ti = BCR, where B is a constant proportional to the absorption cross sections, T2 is the time of count collection for the unknown solution, Ti is the time of count collection for the pure solvent, R is the isotopic ratlo, and C is the molar concentration of the element to be determined. Knowing the slope constant B for any element and when the chemical concentration is known, the isotopic concentration may be readily determined, and conversely when the isotopic ratio is known, the chemical concentrations may be determined. (AEC)

  13. Pulse laser photolysis of aqueous ozone in the microsecond range studied by time-resolved far-ultraviolet absorption spectroscopy.

    PubMed

    Goto, Takeyoshi; Morisawa, Yusuke; Higashi, Noboru; Ikehata, Akifumi; Ozaki, Yukihiro

    2013-05-01

    Chemical dynamics of an ozone (O3) pulse-photolytic reaction in aqueous solutions were studied with pump-probe transient far-ultraviolet (FUV) absorption spectroscopy. With a nanosecond pulse laser of 266 nm as pump light, transient spectra of O3 aqueous solutions (78-480 μM, pH 2.5-11.3) were acquired in the time range from -50 to 50 μs in the wavelength region from 190 to 225 nm. The measured transient spectra were linearly decomposed into the molar absorption coefficients and the concentration-time profiles of constituted chemical components with a multivariate curve resolution method. From the dependences of the time-averaged concentrations for 20 μs of the constituted chemicals on the initial concentration of O3, it was found that the transient spectra involve the decomposition of O3 and the formation of hydrogen peroxide (H2O2) and a third component that is assigned to hydroxyl radical (OH) or perhydroxyl radical (HO2). Furthermore, the pH dependence of the time-averaged concentration of the third components indicates that HO2 is more probable than OH as the third component. The time-averaged concentration ratio of each chemical component to the initial O3 concentration depends on the pH conditions from -0.95 to -0.60 for O3, 0.98 to 1.2 for H2O2, 0.002 to 0.29 for OH, and 0.012 to 0.069 for HO2.

  14. Water vapor absorption in porous media polluted by calcium nitrate studied by time domain nuclear magnetic resonance.

    PubMed

    Gombia, Mirko; Bortolotti, Villiam; Brown, Robert J S; Camaiti, Mara; Cavallero, Luisa; Fantazzini, Paola

    2009-08-01

    Nuclear magnetic resonance relaxation analysis of liquid water (1)H nuclei in real porous media, selected for their similar composition (carbonate rocks) and different pore space architecture, polluted with calcium nitrate, is presented to study the kinetics of water condensation and salt deliquescence inside the pore space. These phenomena are responsible for deterioration of porous materials when exposed to environmental injury by pollution in a humid atmosphere. The theory is well described for simple pore geometries, but it is not yet well understood in real porous media with wide distributions of pore sizes and connections. The experiment is performed by following in time the formation of liquid water inside the pore space by T(1) and T(2) relaxation time distributions. The distributions allow one to see the effects of both the salt concentration and the pore space structure on the amount of water vapor condensed and its kinetics. It is shown that, for a given lithotype, even with different amounts of pollutant, the rate-average relaxation time T(1ra) tends to increase monotonically with NMR signal, proportional to the amount of liquid water. T(1ra) is often inversely associated with surface-to-volume ratio. This suggests a trend toward the filling of larger pores as amounts of liquid water increase, but it does not indicate a strict sequential filling of pores in order of size and starting with the smallest; in fact, relaxation time distributions show clearly that this is not the case. Increased amounts of salt lead to both markedly increased rates and markedly increased amounts of water absorption. NMR measurements of amounts of water, together with relaxation time distributions, give the possibility of information on the effect of pollution in porous materials exposed to humid atmospheres but sheltered from liquid water, even before the absorption of large amounts of moisture and subsequent damage. These phenomena are of importance also in other fields

  15. Water vapor absorption in porous media polluted by calcium nitrate studied by time domain nuclear magnetic resonance.

    PubMed

    Gombia, Mirko; Bortolotti, Villiam; Brown, Robert J S; Camaiti, Mara; Cavallero, Luisa; Fantazzini, Paola

    2009-08-01

    Nuclear magnetic resonance relaxation analysis of liquid water (1)H nuclei in real porous media, selected for their similar composition (carbonate rocks) and different pore space architecture, polluted with calcium nitrate, is presented to study the kinetics of water condensation and salt deliquescence inside the pore space. These phenomena are responsible for deterioration of porous materials when exposed to environmental injury by pollution in a humid atmosphere. The theory is well described for simple pore geometries, but it is not yet well understood in real porous media with wide distributions of pore sizes and connections. The experiment is performed by following in time the formation of liquid water inside the pore space by T(1) and T(2) relaxation time distributions. The distributions allow one to see the effects of both the salt concentration and the pore space structure on the amount of water vapor condensed and its kinetics. It is shown that, for a given lithotype, even with different amounts of pollutant, the rate-average relaxation time T(1ra) tends to increase monotonically with NMR signal, proportional to the amount of liquid water. T(1ra) is often inversely associated with surface-to-volume ratio. This suggests a trend toward the filling of larger pores as amounts of liquid water increase, but it does not indicate a strict sequential filling of pores in order of size and starting with the smallest; in fact, relaxation time distributions show clearly that this is not the case. Increased amounts of salt lead to both markedly increased rates and markedly increased amounts of water absorption. NMR measurements of amounts of water, together with relaxation time distributions, give the possibility of information on the effect of pollution in porous materials exposed to humid atmospheres but sheltered from liquid water, even before the absorption of large amounts of moisture and subsequent damage. These phenomena are of importance also in other fields

  16. Complexation of Neptunium(V) with Glutaroimide Dioxime: A Study by Absorption Spectroscopy, Microcalorimetry, and Density Functional Theory Calculations.

    PubMed

    Ansari, Seraj A; Bhattacharyya, Arunasis; Zhang, Zhicheng; Rao, Linfeng

    2015-09-01

    Complexation of NpO2(+) ions with glutaroimide dioxime (H2L), a cyclic imide dioxime ligand that has been shown to form strong complexes with UO2(2+) in aqueous solutions, was studied by absorption spectroscopy and microcalorimetry in 1.0 M NaClO4 aqueous solutions. NpO2(+) forms two successive complexes, NpO2(HL)(aq) and NpO2(HL)2(-) (where HL(-) stands for the partially deprotonated glutaroimide dioxime ligand), with stability constants of log β111 = 17.8 ± 0.1 and log β122 = 33.0 ± 0.2, respectively. The complexation is both enthalpy- and entropy-driven, with negative enthalpies (ΔH111 = -52.3 ± 1.0 kJ/mol and ΔH122 = -96.1 ± 1.4 kJ/mol) and positive entropies (ΔS111 = 164 ± 3 J/mol/K and ΔS122 = 310 ± 4 J/mol/K). The thermodynamic parameters suggest that, similar to complexation of UO2(2+), the ligand coordinates with NpO2(+) in a tridentate mode, via the two oxygen atoms of the oxime groups and the nitrogen atom of the imide group. Density functional theory calculations have helped to interpret the optical absorption properties of the NpO2(HL)2(-) complex, by showing that the cis and trans configurations of the complex have very similar energies so that both configurations could be present in the aqueous solutions. It is the noncentrosymmetric cis configuration that makes the 5f → 5f transition allowable so that the NpO2(HL)2(-) complex absorbs in the near-IR region.

  17. Pristine and reacted surfaces of pyrrhotite and arsenopyrite as studied by X-ray absorption near-edge structure spectroscopy

    NASA Astrophysics Data System (ADS)

    Mikhlin, Yu.; Tomashevich, Ye.

    2005-05-01

    Fe L-, S L-, and O K-edge X-ray absorption spectra of natural monoclinic and hexagonal pyrrhotites, Fe1-xS, and arsenopyrite, FeAsS, have been measured and compared with the spectra of minerals oxidized in air and treated in aqueous acidic solutions, as well as with the previous XPS studies. The Fe L-edge X-ray absorption near-edge structure (XANES) of vacuum-cleaved pyrrhotites showed the presence of, aside from high-spin Fe2+, small quantity of Fe3+, which was higher for a monoclinic mineral. The spectra of the essentially metal-depleted surfaces produced by the non-oxidative and oxidative acidic leaching of pyrrhotites exhibit substantially enhanced contributions of Fe3+ and a form of high-spin Fe2+ with the energy of the 3d orbitals increased by 0.3 0.8 eV; low-spin Fe2+ was not confidently distinguished, owing probably to its rapid oxidation. The changes in the S L-edge spectra reflect the emergence of Fe3+ and reduced density of S s Fe 4s antibonding states. The Fe L-edge XANES of arsenopyrite shows almost unsplit eg band of singlet Fe2+ along with minor contributions attributable to high-spin Fe2+ and Fe3+. Iron retains the low-spin state in the sulphur-excessive layer formed by the oxidative leaching in 0.4 M ferric chloride and ferric sulphate acidic solutions. The S L-edge XANES of arsenopyrite leached in the ferric chloride, but not ferric sulphate, solution has considerably decreased pre-edge maxima, indicating the lesser admixture of S s states to Fe 3d orbitals in the reacted surface layer. The ferric nitrate treatment produces Fe3+ species and sulphur in oxidation state between +2 and +4.

  18. [Effect of Long-Term Fertilization on Organic Nitrogen Functional Groups in Black Soil as Revealed by Synchrotron-Based X-Ray Absorption Near-Edge Structure Spectroscopy].

    PubMed

    Li, Hui; Gao, Qiang; Wang, Shuai; Zhu, Ping; Zhang, Jin-jing; Zhao, Yi-dong

    2015-07-01

    Nitrogen (N) is a common limiting nutrient in crop production. The N content of soil has been used as an important soil fertility index. Organic N is the major form of N in soil. In most agricultural surface soils, more than 90% of total N occurs in organic forms. Therefore, understanding the compositional characteristics of soil organic N functional groups can provide the scientific basis for formulating the reasonable farmland management strategies. Synchrotron radiation soft X-ray absorption near-edge structure (N K-edge XANES) spectroscopy is the most powerful tool to characterize in situ organic N functional groups compositions in soil. However, to our most knowledge, no studies have been conducted to examine the organic N functional groups compositions of soil using N K-edge XANES spectroscopy under long-term fertilization practices. Based on a long-term field experiment (started in 1990) in a black soil (Gongzhuling, Northeast China), we investigated the differences in organic N functional groups compositions in bulk soil and clay-size soil fraction among fertilization patterns using synchrotron-based N K- edge XANES spectroscopy. Composite soil samples (0-20 cm) were collected in 2008. The present study included six treatments: farmland fallow (FALL), no-fertilization control (CK), chemical nitrogen, phosphorus, and potassium fertilization (NPK), NPK in combination with organic manure (NPKM), 1.5 times of NPKM (1.5 NPKM), and NPK in combination with maize straw (NPKS). The results showed that N K-edge XANES spectra of all the treatments under study exhibited characteristic absorption peaks in the ranges of 401.2-401.6 and 402.7-403.1 eV, which were assigned as amides/amine-N and pyrrole-N, respectively. These characteristic absorption peaks were more obvious in clay-size soil fraction than in bulk soil. The results obtained from the semi-quantitative analysis of N K-edge XANES spectra indicated that the relative proportion of amides/amine-N was the highest

  19. [Effect of Long-Term Fertilization on Organic Nitrogen Functional Groups in Black Soil as Revealed by Synchrotron-Based X-Ray Absorption Near-Edge Structure Spectroscopy].

    PubMed

    Li, Hui; Gao, Qiang; Wang, Shuai; Zhu, Ping; Zhang, Jin-jing; Zhao, Yi-dong

    2015-07-01

    Nitrogen (N) is a common limiting nutrient in crop production. The N content of soil has been used as an important soil fertility index. Organic N is the major form of N in soil. In most agricultural surface soils, more than 90% of total N occurs in organic forms. Therefore, understanding the compositional characteristics of soil organic N functional groups can provide the scientific basis for formulating the reasonable farmland management strategies. Synchrotron radiation soft X-ray absorption near-edge structure (N K-edge XANES) spectroscopy is the most powerful tool to characterize in situ organic N functional groups compositions in soil. However, to our most knowledge, no studies have been conducted to examine the organic N functional groups compositions of soil using N K-edge XANES spectroscopy under long-term fertilization practices. Based on a long-term field experiment (started in 1990) in a black soil (Gongzhuling, Northeast China), we investigated the differences in organic N functional groups compositions in bulk soil and clay-size soil fraction among fertilization patterns using synchrotron-based N K- edge XANES spectroscopy. Composite soil samples (0-20 cm) were collected in 2008. The present study included six treatments: farmland fallow (FALL), no-fertilization control (CK), chemical nitrogen, phosphorus, and potassium fertilization (NPK), NPK in combination with organic manure (NPKM), 1.5 times of NPKM (1.5 NPKM), and NPK in combination with maize straw (NPKS). The results showed that N K-edge XANES spectra of all the treatments under study exhibited characteristic absorption peaks in the ranges of 401.2-401.6 and 402.7-403.1 eV, which were assigned as amides/amine-N and pyrrole-N, respectively. These characteristic absorption peaks were more obvious in clay-size soil fraction than in bulk soil. The results obtained from the semi-quantitative analysis of N K-edge XANES spectra indicated that the relative proportion of amides/amine-N was the highest

  20. Study of in vitro drug release and percutaneous absorption of fluconazole from topical dosage forms.

    PubMed

    Salerno, Claudia; Carlucci, Adriana M; Bregni, Carlos

    2010-06-01

    The present study aimed to evaluate different dosage forms, emulsions, emulgels, lipogels, and thickened microemulsion-based hydrogel, as fluconazole topical delivery systems with the purpose of determining a formulation with the capacity to deliver the whole active compound and maintain it within the skin so as to be considered a useful formulation either for topical mycosis treatment or as adjuvant in a combined therapy for Cutaneous Leishmaniasis. Propylene glycol and diethyleneglycol monoethyl ether were used for each dosage form as solvent for the drug and also as penetration enhancers. In vitro drug release after application of a clinically relevant dose of each formulation was evaluated and then microemulsions and lipogels were selected for the in vitro penetration and permeation study. Membranes of mixed cellulose esters and full-thickness pig ear skin were used for the in vitro studies. Candida albicans was used to test antifungal activity. A microemulsion containing diethyleneglycol monoethyl ether was found to be the optimum formulation as it was able to deliver the whole contained dose and enhance its skin penetration. Also this microemulsion showed the best performance in the antifungal activity test compared with the one containing propylene glycol. These results are according to previous reports of the advantages of microemulsions for topical administration and they are very promising for further clinical evaluation.

  1. Gaseous Absorption and Dispersion of Sound in a Resonant Cylindrical Cavity: AN Acoustic and Photoacoustic Study

    NASA Astrophysics Data System (ADS)

    Beckwith, Clyfe Gordon

    This research investigated the feasibility of accurately measuring Virial coefficients in an acoustically resonant cylindrical cavity. Gases studied were: Argon, Helium, Nitrogen, Carbon Dioxide, and Methane. Parameters considered were: resonant frequencies (f_ {rm r}- also a measure of speed of sound), quality factors (Q), and signal amplitudes. We studied the longitudinal modes smaller than 2000 Hz, at room temperature and at pressures of 200, 500, and 800 mm of Hg. The choice of the longitudinal modes was predetermined by our wish to compare acoustic and photoacoustic resonance techniques of the same mode. The acoustic excitation is limited to the longitudinal modes and is achieved by placing a loudspeaker close to one end of the cavity. Photoacoustically we excite a small concentration of molecular Iodine, mixed in with the buffer gases, by a periodically interrupted Xenon light beam. By increasing the length of the cavity we could decrease the space between the modes of frequency. Our observations focused on the behaviors that (a) f_{rm r} shifted with pressure, (b) the f_{rm r} deviated from the simple laws of harmonics, and (c) the amplitudes for the two techniques varied differently with frequency. Effect (a) is due to the fact that the gases are not "ideal", and due to the presence of boundary layers caused by thermal conduction and viscosity gradients. Effect (b) arises because of the f_{rm r}'s mode dependence, caused by the wave scattering due to imperfect geometrical symmetries. Effect (c) is governed by the coupling factors. All measurements could theoretically be justified to within instrumental error, the only noted discrepancy is the lack of a theoretical mode dependence. We conclude that it is feasible to study the accuracy of Virial coefficients of simple gases provided that the boundary layer loss effects and the mode dependent wave scattering can be quantified; in regions of high pressures and high frequencies the Virial effects dominate the

  2. UV-photochemical vapor generation of selenium for atomic absorption spectrometry: Optimization and 75Se radiotracer efficiency study

    NASA Astrophysics Data System (ADS)

    Rybínová, Marcela; Musil, Stanislav; Červený, Václav; Vobecký, Miloslav; Rychlovský, Petr

    2016-09-01

    Volatile selenium compounds were generated UV-photochemically in the continuous flow mode using four UV-photoreactors differing in the material of the reaction coil; Teflon tubing and quartz tubes with various inner diameters and wall thicknesses were tested. Atomic absorption spectrometry with an externally heated quartz furnace atomizer was employed as the detector. The relevant experimental generation parameters were optimized and the basic analytical characteristics were determined. Using formic acid as the photochemical agent, limits of detection achieved for selenium were in the range 46-102 ng L- 1 in dependence on the type of UV-photoreactor employed. When nitric acid was also added to the photochemical agent, the limits of detection were reduced to 27-44 ng L- 1. The repeatability did not exceed 2.4% (5 μg L- 1 Se(IV), n = 10). Experiments with 75Se radiotracer have been performed for the first time to quantify the efficiency of UV-photochemical vapor generation (UV-PVG) of selenium. The highest efficiency of 67 ± 1% was obtained for a UV-photoreactor containing a quartz reaction coil (2.0 mm i.d., 4.0 mm o.d.). The generation efficiency of 61 ± 1% was obtained for a Teflon reaction coil (1.0 mm i.d., 1.4 mm o.d.). Mapping of the radiotracer distribution in the individual parts of the apparatus did not reveal substantial transport losses of the analyte in the UV-PVG system.

  3. Temperature dependent evolution of the local electronic structure of atmospheric plasma treated carbon nanotubes: Near edge x-ray absorption fine structure study

    SciTech Connect

    Roy, S. S.; Papakonstantinou, P.; Okpalugo, T. I. T.; Murphy, H.

    2006-09-01

    Near edge x-ray absorption fine structure (NEXAFS) spectroscopy has been employed to obtain the temperature dependent evolution of the electronic structure of acid treated carbon nanotubes, which were further modified by dielectric barrier discharge plasma processing in an ammonia atmosphere. The NEXAFS studies were performed from room temperature up to 900 deg. C. The presence of oxygen and nitrogen containing functional groups was observed in C K edge, N K edge, and O K edge NEXAFS spectra of the multiwalled carbon nanotubes. The N K edge spectra revealed three types of {pi}* features, the source of which was decisively identified by their temperature dependent evolution. It was established that these features are attributed to pyridinelike, NO, and graphitelike structures, respectively. The O K edge indicated that both carbonyl (C=O), {pi}*(CO), and ether C-O-C, {sigma}*(CO), functionalities were present. Upon heating in a vacuum to 900 deg. C the {pi}*(CO) resonances disappeared while the {sigma}*(CO) resonances were still present confirming their higher thermal stability. Heating did not produce a significant change in the {pi}* feature of the C K edge spectrum indicating that the tabular structure of the nanotubes is essentially preserved following the thermal decomposition of the functional groups on the nanotube surface.

  4. Disorder-induced enhancement of indirect absorption in a GeSn photodetector grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Li, H.; Chang, C.; Cheng, H. H.; Sun, G.; Soref, R. A.

    2016-05-01

    We report an investigation on the absorption mechanism of a GeSn photodetector with 2.4% Sn composition in the active region. Responsivity is measured and absorption coefficient is calculated. Square root of absorption coefficient linearly depends on photon energy indicating an indirect transition. However, the absorption coefficient is found to be at least one order of magnitude higher than that of most other indirect materials, suggesting that the indirect optical absorption transition cannot be assisted only by phonon. Our analysis of absorption measurements by other groups on the same material system showed the values of absorption coefficient on the same order of magnitude. Our study reveals that the strong enhancement of absorption for the indirect optical transition is the result of alloy disorder from the incorporation of the much larger Sn atoms into the Ge lattice that are randomly distributed.

  5. Physiologically Based Absorption Modeling to Impact Biopharmaceutics and Formulation Strategies in Drug Development-Industry Case Studies.

    PubMed

    Kesisoglou, Filippos; Chung, John; van Asperen, Judith; Heimbach, Tycho

    2016-09-01

    In recent years, there has been a significant increase in use of physiologically based pharmacokinetic models in drug development and regulatory applications. Although most of the published examples have focused on aspects such as first-in-human (FIH) dose predictions or drug-drug interactions, several publications have highlighted the application of these models in the biopharmaceutics field and their use to inform formulation development. In this report, we present 5 case studies of use of such models in this biopharmaceutics/formulation space across different pharmaceutical companies. The case studies cover different aspects of biopharmaceutics or formulation questions including (1) prediction of absorption prior to FIH studies; (2) optimization of formulation and dissolution method post-FIH data; (3) early exploration of a modified-release formulation; (4) addressing bridging questions for late-stage formulation changes; and (5) prediction of pharmacokinetics in the fed state for a Biopharmaceutics Classification System class I drug with fasted state data. The discussion of the case studies focuses on how such models can facilitate decisions and biopharmaceutic understanding of drug candidates and the opportunities for increased use and acceptance of such models in drug development and regulatory interactions. PMID:26886317

  6. Factors determining drug residence in skin during transdermal absorption: studies on beta-blocking agents.

    PubMed

    Yagi, S; Nakayama, K; Kurosaki, Y; Higaki, K; Kimura, T

    1998-11-01

    The factors determining drug residence in skin during penetration across rat abdominal skin were investigated using five beta-blocking agents with different lipophilicities as model drugs in vivo and in vitro. The amount of beta-blocking agent in the skin at steady state correlated well with lipophilicity. The distribution of beta-blocking agents to the stratum corneum and the contribution of intercellular lipids in the stratum corneum to their skin distribution were also correlated with their lipophilicity, suggesting that the stratum corneum, especially intercellular lipids in the stratum corneum, would be responsible for the residence of beta-blocking agents in the skin. Furthermore, cholesterol-3-sulfate, palmitic acid, stearic acid and oleic acid were found to interact with the beta-blocking agents, which are cationized under the physiological condition, and were assumed to play an important role in the skin accumulation. On the other hand, the binding to keratinocyte was so small that keratinocyte might have little effect on the skin accumulation of the beta-blocking agents. Drug transport from the stratum corneum to viable skin was suggested to be regulated by the lipophilicity of these agents. To investigate the residence of these drugs in viable skin, in vitro transport studies using stripped skin were performed. The transport rate constant across viable skin to receptor cells (k23) was inversely correlated with the lipophilicity of the drugs. The elimination rate constants from viable skin (k(vs)) obtained in the in vivo study were much smaller than the values of k23 obtained in the in vitro study, and they were inversely correlated with the binding to cytosol components of viable skin but not the lipophilicity. The viable skin-to-muscle concentration ratio of these drugs, obtained at the beta-phase of the plasma concentration-time curve after intravenous administration, was also inversely correlated with the binding to the cytosol components of viable

  7. Airborne Differential Absorption and High Spectral Resolution Lidar Measurements for Cirrus Cloud Studies

    NASA Astrophysics Data System (ADS)

    Gross, Silke; Schaefler, Andreas; Wirth, Martin; Fix, Andreas

    2016-06-01

    Aerosol and water vapor measurements were performed with the lidar system WALES of the German Aerospace Center (DLR) onboard the German research aircraft G550-HALO during the HALO Techno-Mission in October and November 2010 and during the ML-Cirrus mission in March and April 2014 over Central Europe and the North Atlantic region. Curtains composed of lidar profiles beneath the aircraft show the water vapor mixing ratio and the backscatter ratio. Temperature data from ECMWF model analysis are used to calculate the relative humidity above ice (RHi) in the 2-D field along the flight track to study the RHi distribution inside and outside of cirrus clouds at different stages of cloud evolution.

  8. Studies on the effect of vitamin D on calcium absorption and transport.

    PubMed

    Hashim, G; Clark, I

    1969-04-01

    1. Mucosal cells of the small intestine obtained from rats deprived of vitamin D or given excessive amounts of the vitamin accumulated significantly more calcium than did cells from control animals. 2. Mucosal cells from vitamin D-deficient rats released less calcium than did cells from normal or hypervitaminotic D animals. 3. Studies in vivo showed that the transfer of (45)Ca from the intestine to the blood was delayed in vitamin D deficiency, but was accelerated in hypervitaminosis D. 4. The findings support the thesis that vitamin D is involved in the release of calcium rather than in its uptake by mucosal cells. 5. Further evidence is presented suggesting that uptake of calcium by intestinal mucosal cells at 0 degrees is primarily passive, whereas at 38 degrees uptake and release are effected by an active process that depends on energy derived from glycolytic activity.

  9. Designed plasmonic nanocatalysts for the reduction of eosin Y: absorption and fluorescence study

    NASA Astrophysics Data System (ADS)

    Komalam, Abha; Muraleegharan, Lekha Girija; Subburaj, Suganthi; Suseela, Suji; Babu, Aswathy; George, Sony

    2012-10-01

    In this work, we report a one-step green synthesis of gold nanoparticles (AuNPs) by microwave irradiation using nontoxic and biodegradable polysaccharide chitosan as a reducing and stabilizing agent. The interaction between gold nanoparticles with the amine group of chitosan was confirmed by Fourier transform infrared spectroscopy analysis, and the stability of the nanoparticle is ascertained by zeta potential measurements. Transmission electron microscopy photograph and dynamic light scattering measurements confirmed the average size of gold nanoparticles as 25 nm. The ability of the synthesised gold nanoparticles as a catalyst for the reduction of eosin dye in the presence of NaBH4 was monitored by means of spectrofluorometry and spectrophotometry. It is found that the NaBH4-induced reduction of eosin is enhanced in the presence of AuNPs even without a catalyst. Time-resolved fluorescence decay studies also confirmed the reduction of eosin in the presence of AuNPs.

  10. Electronic properties of superconductors studied using photo induced activation of microwave absorption (PIAMA)

    SciTech Connect

    Feenstra, B.J.; Schooveld, W.A.; Bos, C.

    1995-12-31

    Electronic properties of superconductors are contemporarily being studied using many different experimental techniques, among which infrared spectrometry, photoelectron spectroscopy and microwave cavity techniques play an important role. The data analysis, however, is complicated by the fact that in these materials the phonon-frequency range overlaps with the one in which the energy gap is expected. This problem can be circumvented by making use of two different sources, one to induce the excitations (the Free Electron Laser in Nieuwegein, The Netherlands, FELIX), and one to study the behavior of these excitations (i.e. quasiparticles). In our case the latter source is monochromatic microwave radiation, transmitted through a thin superconducting film. We measured both a conventional superconductor (NbN, T{sub c} = 17 K) and a high T{sub c} superconductor (SmBa{sub 2}Cu{sub 3}O{sub 7-{delta}}, T{sub c} = 92 K). For NbN we observed a positive change in transmission, followed by a relaxation to a transmission smaller than the original value, after which the starting situation was restored within {approximately} 100 {mu}s. In case of SmBa{sub 2}Cu{sub 3}O{sub 7-{delta}}, the changes persisted above T{sub c}. At very low temperatures we observed slow oscillations ({approximately} 4kHz) in the induced signal, which were absent in NbN. The long time scales can possibly be explained by the so-called bottleneck, i.e. quasiparticles excited with a lot of excess energy lose part of their energy by exciting other quasiparticles. In this case the quasiparticle lifetime is enhanced considerably. The oscillations point towards an intrinsic difference of the low energy excitations, i.e. the symmetry of the pairing.

  11. Study on the small intestine absorptive kinetics characters of tanshinol and protocatechualdehyde of Salvia miltiorrhiza extracts in rats in vivo.

    PubMed

    Liang, Kai; Zhai, Shuiting; Zhang, Zhidong; Wang, Guoquan; Fu, Xiaoyang; Li, Tianxiao

    2016-07-01

    In order to provide scientific basis for clinical selection of drugs, to compare and analyze the effective constitutes and the intestinal absorption in vivo in rats of the compound salvia tablets and compound salvia dropping pills (taken as the representatives). Determine the contents of tanshinol, protocatechuic aldehyde, salvianolic acid B and tanshinone II A, cryptotanshinone, ginseng saponin Rg1 and Rb1 in the compound salvia tablets and compound salvia dropping pills by High Performance Liquid Chromatography (HPLC). The intestinal absorption condition of the tanshinol, protocatechuic aldehyde, salvianolic acid B of the compound salvia tablets and compound salvia dropping pills in rats were detected by intestinal perfusion experiment. Only the intake of protocatechuic aldehyde in the compound salvia tablets was higher than in the compound dropping pills, the intake of the other 6 effective constitutes were all lower than in the compound dropping pills. The intestinal absorption of protocatechuic aldehyde was rather complete, while the intestinal absorption of tanshinol and salvianolic acid B were not significant. The duodenum was the main absorption region of these three components. The absorption of protocatechuic aldehyde was different in different regions of the intestines. Each intake of the effective constitutes in the tablets and dropping pills were significantly different, and the rat intestinal absorption of part of the components were different. PMID:27592492

  12. Study on the small intestine absorptive kinetics characters of tanshinol and protocatechualdehyde of Salvia miltiorrhiza extracts in rats in vivo.

    PubMed

    Liang, Kai; Zhai, Shuiting; Zhang, Zhidong; Wang, Guoquan; Fu, Xiaoyang; Li, Tianxiao

    2016-07-01

    In order to provide scientific basis for clinical selection of drugs, to compare and analyze the effective constitutes and the intestinal absorption in vivo in rats of the compound salvia tablets and compound salvia dropping pills (taken as the representatives). Determine the contents of tanshinol, protocatechuic aldehyde, salvianolic acid B and tanshinone II A, cryptotanshinone, ginseng saponin Rg1 and Rb1 in the compound salvia tablets and compound salvia dropping pills by High Performance Liquid Chromatography (HPLC). The intestinal absorption condition of the tanshinol, protocatechuic aldehyde, salvianolic acid B of the compound salvia tablets and compound salvia dropping pills in rats were detected by intestinal perfusion experiment. Only the intake of protocatechuic aldehyde in the compound salvia tablets was higher than in the compound dropping pills, the intake of the other 6 effective constitutes were all lower than in the compound dropping pills. The intestinal absorption of protocatechuic aldehyde was rather complete, while the intestinal absorption of tanshinol and salvianolic acid B were not significant. The duodenum was the main absorption region of these three components. The absorption of protocatechuic aldehyde was different in different regions of the intestines. Each intake of the effective constitutes in the tablets and dropping pills were significantly different, and the rat intestinal absorption of part of the components were different.

  13. High-pressure x-ray diffraction, absorption, luminescence, and Raman-scattering study of Cs{sub 2}MoS{sub 4}

    SciTech Connect

    Lorenz, B.; Orgzall, I.; Dorhout, P.K.; Raymond, C.C.; Brister, K.; Weishaupt, K.; DAdamo, R.; Hochheimer, H.D.

    1997-02-01

    Cesium thiomolybdate, Cs{sub 2}MoS{sub 4}, has been investigated at pressures up to 12 GPa. Two phase transitions have been detected by absorption measurements, Raman spectroscopy, and energy dispersive x-ray diffraction. The first phase transition to a monoclinic phase II [a=14.061(9) {Angstrom}, b=11.552(7) {Angstrom}, c=9.852(6) {Angstrom}, {beta}=97.14(6){degree}] has been observed at 8.0 GPa. The second transition at 9.7 GPa has been observed from the monoclinic phase II to an orthorhombic phase III [a=12.085(4) {Angstrom}, b=15.707(6) {Angstrom}, c=11.828(5) {Angstrom}]. Absorption and luminescence measurements have indicated an increase in the absorption edge energy with pressure up to {approximately}3 GPa. At pressures greater than 3.5 GPa, the absorption energy decreases. Raman spectroscopy has revealed a low-frequency phonon mode with a negative pressure shift in the low-pressure phase I. The pressure-temperature phase diagram has been determined up to 250{degree}C. The transition pressures decrease linearly with slopes of {approximately}{minus}0.013 GPa/{degree}C. Models for the pressure-induced structural and electronic transitions are proposed. {copyright} {ital 1997} {ital The American Physical Society}

  14. Pharmacokinetic and pharmacodynamic studies following percutaneous absorption of erythropoietin micropiles to rats.

    PubMed

    Ito, Y; Shiroyama, K; Yoshimitsu, J; Ohashi, Y; Sugioka, N; Takada, K

    2007-08-28

    To ascertain the pharmacological activity of erythropoietin (EPO) administered by self-dissolving micropiles (SDMP), four kinds of EPO SDMPs were prepared and were administered to rats in 4 consecutive days at 200, 500, 1000 and 2300 IU/kg. After the start of the experiment, blood samples were obtained once a day for 10 days and percent circulating reticulocytes were counted using Miller technique. At the lower doses, 200 and 500 IU/kg, pharmacological activity of EPO was not obtained. By increasing EPO dose to 1000 IU/kg, circulating reticulocytes significantly increased at days 4, 5, 6 and 7 after the start of the experiment and the average value for the change in reticulocyte levels during day 1 and day 5 was 170.9%. With the highest dose, 2300 IU/kg, higher circulating reticulocytes levels started to increase at the 4th day after the start of the experiment and maintained from day 5 to day 10. The average of the changes in reticulocyte from day 5 to day 10 was 251%. Dose-dependent circulating reticulocytes increase was observed at the higher dose range, 1000 and 2300 IU/kg. To study the linearity on the serum EPO level vs. time curves, pharmacokinetic experiment was performed with rats. After the administration of EPO SDMPs to rats, 200, 500, 1000 and 2300 IU/kg, serum EPO levels gradually increased and reached to the maximum level, C(max), at 18 h after administration. The C(max)s were 100.4+/-11.7 mIU/ml (200 IU/kg), 346.6+/-11.8 mIU/ml (500 IU/kg), 391.6+/-17.6 mIU/ml (1000 IU/kg), and 1094.9+/-114.8 mIU/ml (2300 IU/kg), respectively. AUCs were 1407+/-231, 3843+/-402, 5363+/-482 and 15,566+/-1894 mIU h/ml. Linear relation was obtained between serum EPO level and EPO dose administered as SDMP. With histological study, any adverse effect was not found out on the skin where SDMPs were administered for consecutive 4 days. These results suggest the usefulness of SDMP as a new percutaneous delivery system of EPO.

  15. [Study of the Detecting System of CH4 and SO2 Based on Spectral Absorption Method and UV Fluorescence Method].

    PubMed

    Wang, Shu-tao; Wang, Zhi-fang; Liu, Ming-hua; Wei, Meng; Chen, Dong-ying; Wang, Xing-long

    2016-01-01

    According to the spectral absorption characteristics of polluting gases and fluorescence characteristics, a time-division multiplexing detection system is designed. Through this system we can detect Methane (CH4) and sulfur dioxide (SO2) by using spectral absorption method and the SO2 can be detected by using UV fluorescence method. The system consists of four parts: a combination of a light source which could be switched, the common optical path, the air chamber and the signal processing section. The spectral absorption characteristics and fluorescence characteristics are measured first. Then the experiment of detecting CH4 and SO2 through spectral absorption method and the experiment of detecting SO2 through UV fluorescence method are conducted, respectively. Through measuring characteristics of spectral absorption and fluorescence, we get excitation wavelengths of SO2 and CH4 measured by spectral absorption method at the absorption peak are 280 nm and 1.64 μm, respectively, and the optimal excitation wavelength of SO2 measured by UV fluorescence method is 220 nm. we acquire the linear relation between the concentration of CH4 and relative intensity and the linear relation between the concentration of SO2 and output voltage after conducting the experiment of spectral absorption method, and the linearity are 98.7%, 99.2% respectively. Through the experiment of UV fluorescence method we acquire that the relation between the concentration of SO2 and the voltage is linear, and the linearity is 99.5%. Research shows that the system is able to be applied to detect the polluted gas by absorption spectrum method and UV fluorescence method. Combing these two measurement methods decreases the costing and the volume, and this system can also be used to measure the other gases. Such system has a certain value of application. PMID:27228784

  16. [Study of the Detecting System of CH4 and SO2 Based on Spectral Absorption Method and UV Fluorescence Method].

    PubMed

    Wang, Shu-tao; Wang, Zhi-fang; Liu, Ming-hua; Wei, Meng; Chen, Dong-ying; Wang, Xing-long

    2016-01-01

    According to the spectral absorption characteristics of polluting gases and fluorescence characteristics, a time-division multiplexing detection system is designed. Through this system we can detect Methane (CH4) and sulfur dioxide (SO2) by using spectral absorption method and the SO2 can be detected by using UV fluorescence method. The system consists of four parts: a combination of a light source which could be switched, the common optical path, the air chamber and the signal processing section. The spectral absorption characteristics and fluorescence characteristics are measured first. Then the experiment of detecting CH4 and SO2 through spectral absorption method and the experiment of detecting SO2 through UV fluorescence method are conducted, respectively. Through measuring characteristics of spectral absorption and fluorescence, we get excitation wavelengths of SO2 and CH4 measured by spectral absorption method at the absorption peak are 280 nm and 1.64 μm, respectively, and the optimal excitation wavelength of SO2 measured by UV fluorescence method is 220 nm. we acquire the linear relation between the concentration of CH4 and relative intensity and the linear relation between the concentration of SO2 and output voltage after conducting the experiment of spectral absorption method, and the linearity are 98.7%, 99.2% respectively. Through the experiment of UV fluorescence method we acquire that the relation between the concentration of SO2 and the voltage is linear, and the linearity is 99.5%. Research shows that the system is able to be applied to detect the polluted gas by absorption spectrum method and UV fluorescence method. Combing these two measurement methods decreases the costing and the volume, and this system can also be used to measure the other gases. Such system has a certain value of application.

  17. VUV-synchrotron absorption studies of N2 and CO at 900 K

    NASA Astrophysics Data System (ADS)

    Niu, M. L.; Heays, A. N.; Jones, S.; Salumbides, E. J.; van Dishoeck, E. F.; De Oliveira, N.; Nahon, L.; Ubachs, W.

    2015-09-01

    Photoabsorption spectra of N2 and CO were recorded at 900 K, using the vacuum-ultraviolet Fourier-transform spectrometer at the DESIRS beamline of synchrotron SOLEIL. These high-temperature and high-resolution measurements allow for precise determination of line wavelengths, oscillator strengths, and predissociative line broadening of highly-excited rotational states with J up to about 50, and also vibrational hot bands. In CO, the perturbations of the A1 Π - X1Σ+ vibrational bands (0, 0) and (1, 0) were studied, as well as the transitions to perturbing optically-forbidden states e3Σ-, d3 Δ, D1 Δ and a‧3Σ+ . In N2, we observed line shifts and broadening in several b1Πu - X1 Σg+ bands due to unobserved forbidden states of 3Πu symmetry. The observed state interactions are deperturbed and, for N2, used to validate a coupled-channels model of the interacting electronic states. These data are appropriate for use in astrophysical or (exo-)planetary atmospheric applications where high temperatures are important and in future spectroscopic models of these molecules.

  18. Surface study of metal-containing ionic liquids by means of photoemission and absorption spectroscopies

    NASA Astrophysics Data System (ADS)

    Caporali, Stefano; Pedio, Maddalena; Chiappe, Cinzia; Pomelli, Christian S.; Acres, Robert G.; Bardi, Ugo

    2016-06-01

    The vacuum/liquid interface of different ionic liquids obtained by dissolving bistriflimide salts of Ag, Al, Cu, Ni, and Zn in 1-butyl-3-methylimidazolium bistriflimide ([bmim][Tf2N]) was investigated under vacuum using AR-XPS and NEXAFS. The XPS spectra show chemical shifts of the nitrogen of the bistriflimide anion as a function of the metal type, indicating different strength of the coordination bonds. In silver bearing ILs, silver ions were found to be only weakly coordinated. On the contrary, Ni, Cu, Zn, and especially Al exhibit large chemical shifts attributable to strong interaction with the bistriflimide ions. The outermost surface was enriched with or depleted of metal ions as a function of the nature of the metals. Nickel and zinc tend to slightly concentrate at the surface while copper, silver, and especially aluminum are depleted at the surface. We also observed that the aliphatic alkyl chains of the cations tend to protrude outside the surface in all systems studied. However, the presence of metals generally increases the amount of bistriflimide at the vacuum/liquid interface.

  19. A proteomics approach to the study of absorption, distribution, metabolism, excretion, and toxicity.

    PubMed

    Nordvarg, Helena; Flensburg, John; Rönn, Ola; Ohman, Johan; Marouga, Rita; Lundgren, Bo; Haid, Daniel; Malmport, Eva; Goscinski, Jan; Hörnsten, Lena; Scigelova, Michaela; Bourin, Stephanie; Garberg, Per; Woffendin, Gary; Fenyö, David; Bergling, Hélène; Forsberg, Erik

    2004-12-01

    A proteomics approach was used to identify liver proteins that displayed altered levels in mice following treatment with a candidate drug. Samples from livers of mice treated with candidate drug or untreated were prepared, quantified, labeled with CyDye DIGE Fluors, and subjected to two-dimensional electrophoresis. Following scanning and imaging of gels from three different isoelectric focusing intervals (3-10, 7-11, 6.2-7.5), automated spot handling was performed on a large number of gel spots including those found to differ more than 20% between the treated and untreated condition. Subsequently, differentially regulated proteins were subjected to a three-step approach of mass spectrometry using (a) matrix-assisted laser desorption/ionization time-of-flight mass spectrometry peptide mass fingerprinting, (b) post-source decay utilizing chemically assisted fragmentation, and (c) liquid chromatography-tandem mass spectrometry. Using this approach we have so far resolved 121 differentially regulated proteins following treatment of mice with the candidate drug and identified 110 of these using mass spectrometry. Such data can potentially give improved molecular insight into the metabolism of drugs as well as the proteins involved in potential toxicity following the treatment. The differentially regulated proteins could be used as targets for metabolic studies or as markers for toxicity.

  20. Case study of absorption aerosol optical depth closure of black carbon over the East China Sea

    NASA Astrophysics Data System (ADS)

    Koike, M.; Moteki, N.; Khatri, P.; Takamura, T.; Takegawa, N.; Kondo, Y.; Hashioka, H.; Matsui, H.; Shimizu, A.; Sugimoto, N.

    2014-01-01

    aerosol optical depth (AAOD) measurements made by sun-sky photometers are currently the only constraint available for estimates of the global radiative forcing of black carbon (BC), but their validation studies are limited. In this paper, we report the first attempt to compare AAODs derived from single-particle soot photometer (SP2) and ground-based sun-sky photometer (sky radiometer, SKYNET) measurements. During the Aerosol Radiative Forcing in East Asia (A-FORCE) experiments, BC size distribution and mixing state vertical profiles were measured using an SP2 on board a research aircraft near the Fukue Observatory (32.8°N, 128.7°E) over the East China Sea in spring 2009 and late winter 2013. The aerosol extinction coefficients (bext) and single scattering albedo (SSA) at 500 nm were calculated based on aerosol size distribution and detailed BC mixing state information. The calculated aerosol optical depth (AOD) agreed well with the sky radiometer measurements (2 ± 6%) when dust loadings were low (lidar-derived nonspherical particle contribution to AOD less than 20%). However, under these low-dust conditions, the AAODs obtained from sky radiometer measurements were only half of the in situ estimates. When dust loadings were high, the sky radiometer measurements showed systematically higher AAODs even when all coarse particles were assumed to be dust for in situ measurements. These results indicate that there are considerable uncertainties in AAOD measurements. Uncertainties in the BC refractive index, optical calculations from in situ data, and sky radiometer retrieval analyses are discussed.

  1. In situ micro X-ray absorption near edge structure study of microbiologically reduced selenite (SeO 32-)

    NASA Astrophysics Data System (ADS)

    Oger, Phil M.; Daniel, I.; Cournoyer, B.; Simionovici, A.

    2004-10-01

    The possibility exists that life originated from high-pressure, high-temperature environments fueled by the reduction of metal ions. These environments or their modern equivalent cannot be studied by standard microbiological techniques, but, metal reduction and oxidation kinetics may be accessible to X-ray analyses. We have evaluated the compatibility, the sensitivity and the efficiency of μX-ray absorption near edge structure (μXANES) and μX-ray fluorescence (μXRF) to study the kinetics of selenite reduction by prokaryotes under controlled pressure and temperature using a dedicated diamond anvil cell. These tests were performed in quartz capillaries, but the experimental set up was designed so as to accommodate the diamond anvil cell. Using μXRF coupled with μXANES, we show that we can detect and quantify Se species in solution from as low as 2 ppm. Lower quantification levels could be readily obtained by increasing counting time or incident flux and changing detectors. The chemical composition of mixtures of different selenium species has been directly determined by a combination of individual μXANES spectra made from standard solutions. The sensitivity of this method is sufficiently high to allow the study of the speciation of selenium in solution in situ and in vivo in the diamond anvil cell under controlled pressure and temperature.

  2. Structural, thermal, linear and nonlinear optical studies of an organic optical limiter based on reverse saturable absorption

    NASA Astrophysics Data System (ADS)

    Menezes, Anthoni Praveen; Raghavendra, S.; Jayarama, A.; Sarveshwara, H. P.; Dharmaprakash, S. M.

    2016-09-01

    A new derivative of chalcone, 3-(4-bromophenyl)-1-(pyridin-4-yl) prop-2-en-1-one (4BP4AP), crystallizing in centrosymmetric structure has been synthesized using the Claisen-Schmidt condensation reaction method. The FTIR and FT-Raman spectral studies were carried out on 4BP4AP for structural conformation. The single crystals were grown using slow evaporation solution growth technique. The single crystal XRD of the crystal shows that the crystal system of 4BP4AP is triclinic with space group P-1. Scanning electron microscope images enunciate the surface smoothness and the two dimensional growth mechanisms in the crystal. The crystal is transparent in the entire visible region as indicated by the UV-VIS-NIR spectrum. The thermal stability and phase transition of the compound was studied by thermogravimetric and differential scanning calorimetric analysis and found to be stable up to 200 °C. By performing the open aperture z-scan experiment, nonlinear absorption and optical limiting behavior of the crystal were studied. The crystal can be used for optoelectronic application due to its excellent photo-physical properties.

  3. Microwave absorption studies of Cr-doped Co-U type hexaferrites over 2-18 GHz frequency range

    NASA Astrophysics Data System (ADS)

    Kumar, Sandeep; Meena, Ram Swaroop; Chatterjee, Ratnamala

    2016-11-01

    The effect of Cr3+ ions doping on the electromagnetic (EM) properties of polycrystalline U-type hexaferrite samples: Ba4Co2-3xCr2xFe36O60 (0.0≤x≤0.60, in steps of 0.15) have been studied. The X-ray diffraction (XRD) studies confirmed the formation of single U-type hexaferrite phase in all the prepared samples. Le Bail refinement of XRD patterns was used to calculate the lattice parameters 'a' and 'c'. The room temperature M-H studies indicate that the saturation magnetization (Ms) decreases and coercivity (Hc) increases with increasing Cr3+ ions concentration. The complex permittivity (ε* = ε ‧ - i ε ″) and permeability (μ* = μ ‧ - i μ ″) measurement were carried out using vector network analyser (VNA) over 2-18 GHz frequency range. The complex permeability (μ* = μ ‧ - μ ″) spectra clearly observed the ferromagnetic resonance (FMR) phenomenon in all the prepared samples. The maximum microwave absorption (MWA) of 99.97% (or minimum reflection loss RLmin=-34.90 dB) was observed for Ba4Co1.1Cr0.6Fe36O60 sample at 8.2 GHz frequency with 1.7 mm absorber thickness. The RLmin peak was found to shift towards higher microwave (MW) frequency with increase in Cr3+ ions concentration.

  4. Molecular Docking and In Silico ADMET Study Reveals Acylguanidine 7a as a Potential Inhibitor of β-Secretase

    PubMed Central

    Nisha, Chaluveelaveedu Murleedharan; Kumar, Ashwini; Nair, Prateek; Gupta, Nityasha; Silakari, Chitrangda; Tripathi, Timir; Kumar, Awanish

    2016-01-01

    Amyloidogenic pathway in Alzheimer's disease (AD) involves breakdown of APP by β-secretase followed by γ-secretase and results in formation of amyloid beta plaque. β-secretase has been a promising target for developing novel anti-Alzheimer drugs. To test different molecules for this purpose, test ligands like acylguanidine 7a, rosiglitazone, pioglitazone, and tartaric acid were docked against our target protein β-secretase enzyme retrieved from Protein Data Bank, considering MK-8931 (phase III trial, Merck) as the positive control. Docking revealed that, with respect to their free binding energy, acylguanidine 7a has the lowest binding energy followed by MK-8931 and pioglitazone and binds significantly to β-secretase. In silico ADMET predictions revealed that except tartaric acid all other compounds had minimal toxic effects and had good absorption as well as solubility characteristics. These compounds may serve as potential lead compound for developing new anti-Alzheimer drug. PMID:27190510

  5. Localized and mixed valence state of Ce 4 f in superconducting and ferromagnetic CeO1 -xFxBiS2 revealed by x-ray absorption and photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Sugimoto, T.; Ootsuki, D.; Paris, E.; Iadecola, A.; Salome, M.; Schwier, E. F.; Iwasawa, H.; Shimada, K.; Asano, T.; Higashinaka, R.; Matsuda, T. D.; Aoki, Y.; Saini, N. L.; Mizokawa, T.

    2016-08-01

    We have performed Ce L3-edge x-ray absorption spectroscopy (XAS) and Ce 4 d -4 f resonant photoemission spectroscopy (PES) on single crystals of CeO1 -xFxBiS2 for x =0.0 and 0.5 in order to investigate the Ce 4 f electronic states. In Ce L3-edge XAS, a mixed valence of Ce was found in the x =0.0 sample, and F doping suppressed it, which is consistent with the results on polycrystalline samples. As for resonant PES, we found that the Ce 4 f electrons in both x =0.0 and 0.5 systems respectively formed a flat band at 1.0 and 1.4 eV below the Fermi level and there was no contribution to the Fermi surfaces. Interestingly, Ce valence in CeOBiS2 deviates from Ce3 + even though Ce 4 f electrons are localized, indicating the Ce valence is not in a typical valence fluctuation regime. We assume that localized Ce 4 f in CeOBiS2 is mixed with unoccupied Bi 6 pz , which is consistent with a previous local structural study. Based on the analysis of the Ce L3-edge XAS spectra using Anderson's impurity model calculation, we found that the transfer integral becomes smaller, increasing the number of Ce 4 f electrons upon the F substitution for O.

  6. Insights into antiviral innate immunity revealed by studying hepatitis C virus

    PubMed Central

    Horner, Stacy M.

    2015-01-01

    Experimental studies on the interactions of the positive strand RNA virus hepatitis C virus (HCV) with the host have contributed to several discoveries in the field of antiviral innate immunity. These include revealing the antiviral sensing pathways that lead to the induction of type I interferon (IFN) during HCV infection and also the importance of type III IFNs in the antiviral immune response to HCV. These studies on HCV/host interactions have contributed to our overall understanding of viral sensing and viral evasion of the antiviral intracellular innate immune response. In this review, I will highlight how these studies of HCV/host interactions have led to new insights into antiviral innate immunity. Overall, I hope to emphasize that studying antiviral immunity in the context of virus infection is necessary to fully understand antiviral immunity and how it controls the outcome of viral infection. PMID:25819428

  7. A preparation of perfused small intestine for the study of absorption in amphibia.

    PubMed

    Parsons, D S; Prichard, J S

    1968-09-01

    Michaelis-Menten type kinetics. The K(m) of the intestinal translocation process for glucose in Rana pipiens was 0.45 +/- 0.13 (4) muM. The mean V(max) was 137.5 +/- 35.3 (4) muM/hr/g fat-free dry wt.5. When phlorrhizin (10(-5)M) is added to the vascular perfusate, no inhibition of glucose transport is seen for at least 60 min. When strophanthin is added to the vascular perfusate (5 x 10(-5)M), a markedly greater inhibition of glucose transport is observed than when it is introduced to the luminal circulation.6. Earlier studies of the vascular perfusion of isolated small intestine are tabulated. The experimental findings are discussed in relation to a model of the mode of action of the epithelial cell for glucose transport.

  8. Generation of enterocyte-like cells from human induced pluripotent stem cells for drug absorption and metabolism studies in human small intestine

    PubMed Central

    Ozawa, Tatsuya; Takayama, Kazuo; Okamoto, Ryota; Negoro, Ryosuke; Sakurai, Fuminori; Tachibana, Masashi; Kawabata, Kenji; Mizuguchi, Hiroyuki

    2015-01-01

    Enterocytes play an important role in drug absorption and metabolism. However, a widely used enterocyte model, Caco-2 cell, has difficulty in evaluating both drug absorption and metabolism because the expression levels of some drug absorption and metabolism-related genes in these cells differ largely from those of human enterocytes. Therefore, we decided to generate the enterocyte-like cells from human induced pluripotent stem (iPS) cells (hiPS-ELCs), which are applicable to drug absorption and metabolism studies. The efficiency of enterocyte differentiation from human iPS cells was significantly improved by using EGF, SB431542, and Wnt3A, and extending the differentiation period. The gene expression levels of cytochrome P450 3A4 (CYP3A4) and peptide transporter 1 in the hiPS-ELCs were higher than those in Caco-2 cells. In addition, CYP3A4 expression in the hiPS-ELCs was induced by treatment with 1, 25-dihydroxyvitamin D3 or rifampicin, which are known to induce CYP3A4 expression, indicating that the hiPS-ELCs have CYP3A4 induction potency. Moreover, the transendothelial electrical resistance (TEER) value of the hiPS-ELC monolayer was approximately 240 Ω*cm2, suggesting that the hiPS-ELC monolayer could form a barrier. In conclusion, we succeeded in establishing an enterocyte model from human iPS cells which have potential to be applied for drug absorption and metabolism studies. PMID:26559489

  9. Generation of enterocyte-like cells from human induced pluripotent stem cells for drug absorption and metabolism studies in human small intestine.

    PubMed

    Ozawa, Tatsuya; Takayama, Kazuo; Okamoto, Ryota; Negoro, Ryosuke; Sakurai, Fuminori; Tachibana, Masashi; Kawabata, Kenji; Mizuguchi, Hiroyuki

    2015-11-12

    Enterocytes play an important role in drug absorption and metabolism. However, a widely used enterocyte model, Caco-2 cell, has difficulty in evaluating both drug absorption and metabolism because the expression levels of some drug absorption and metabolism-related genes in these cells differ largely from those of human enterocytes. Therefore, we decided to generate the enterocyte-like cells from human induced pluripotent stem (iPS) cells (hiPS-ELCs), which are applicable to drug absorption and metabolism studies. The efficiency of enterocyte differentiation from human iPS cells was significantly improved by using EGF, SB431542, and Wnt3A, and extending the differentiation period. The gene expression levels of cytochrome P450 3A4 (CYP3A4) and peptide transporter 1 in the hiPS-ELCs were higher than those in Caco-2 cells. In addition, CYP3A4 expression in the hiPS-ELCs was induced by treatment with 1, 25-dihydroxyvitamin D3 or rifampicin, which are known to induce CYP3A4 expression, indicating that the hiPS-ELCs have CYP3A4 induction potency. Moreover, the transendothelial electrical resistance (TEER) value of the hiPS-ELC monolayer was approximately 240 Ω*cm(2), suggesting that the hiPS-ELC monolayer could form a barrier. In conclusion, we succeeded in establishing an enterocyte model from human iPS cells which have potential to be applied for drug absorption and metabolism studies.

  10. Infections Revealing Complement Deficiency in Adults: A French Nationwide Study Enrolling 41 Patients.

    PubMed

    Audemard-Verger, A; Descloux, E; Ponard, D; Deroux, A; Fantin, B; Fieschi, C; John, M; Bouldouyre, A; Karkowsi, L; Moulis, G; Auvinet, H; Valla, F; Lechiche, C; Davido, B; Martinot, M; Biron, C; Lucht, F; Asseray, N; Froissart, A; Buzelé, R; Perlat, A; Boutboul, D; Fremeaux-Bacchi, V; Isnard, S; Bienvenu, B

    2016-05-01

    Complement system is a part of innate immunity, its main function is to protect human from bacterial infection. As genetic disorders, complement deficiencies are often diagnosed in pediatric population. However, complement deficiencies can also be revealed in adults but have been poorly investigated. Herein, we describe a case series of infections revealing complement deficiency in adults to study clinical spectrum and management of complement deficiencies.A nationwide retrospective study was conducted in French university and general hospitals in departments of internal medicine, infectious diseases enrolling patients older than 15 years old who had presented at least one infection leading to a complement deficiency diagnosis.Forty-one patients included between 2002 and 2015 in 19 different departments were enrolled in this study. The male-to-female ratio was 1.3 and the mean age at diagnosis was 28 ± 14 (15-67) years. The main clinical feature was Neisseria meningitidis meningitis 75% (n = 31/41) often involving rare serotype: Y (n = 9) and W 135 (n = 7). The main complement deficiency observed was the common final pathway deficiency 83% (n = 34/41). Half of the cohort displayed severe sepsis or septic shock at diagnosis (n = 22/41) but no patient died. No patient had family history of complement deficiency. The mean follow-up was 1.15 ± 1.95 (0.1-10) years. Half of the patients had already suffered from at least one infection before diagnosis of complement deficiency: meningitis (n = 13), pneumonia (n = 4), fulminans purpura (n = 1), or recurrent otitis (n = 1). Near one-third (n = 10/39) had received prophylactic antibiotics (cotrimoxazole or penicillin) after diagnosis of complement deficiency. The vaccination coverage rate, at the end of the follow-up, for N meningitidis, Streptococcus pneumonia, and Haemophilius influenzae were, respectively, 90% (n = 33/37), 47% (n = 17/36), and 35% (n = 14

  11. A combined experimental-computational study on nitrogen doped Cu2O as the wide-spectrum absorption material

    NASA Astrophysics Data System (ADS)

    Ping, Zhang; Yurong, Zhou; Qingbo, Yan; Fengzhen, Liu; Jingwen, Li; Gangqiang, Dong

    2014-10-01

    Highly-oriented Cu2O thin films were prepared by low temperature thermal oxidation of evaporated Cu thin films. The films were doped with different doses of nitrogen by ion implantation. An absorption peak appears below the absorption edge in the absorption spectrum of highly nitrogen doped Cu2O. The effect of nitrogen doping on the crystal structure, electronic structure and optical properties of Cu2O were investigated systematically by first-principles calculations. The calculation results indicate that an intermediate energy band exists in the forbidden gap of highly nitrogen doped Cu2O. The electron transition from the valence band to the intermediate band is consistent with the absorption peak by experimental observation. Experimental and computational results indicate that nitrogen doped Cu2O could be a suitable absorbing material candidate for wide-spectrum detectors or intermediate band solar cells.

  12. Percutaneous absorption in preterm infants.

    PubMed

    West, D P; Halket, J M; Harvey, D R; Hadgraft, J; Solomon, L M; Harper, J I

    1987-11-01

    The skin of preterm infants varies considerably in its level of maturity. To understand skin absorption in premature infants better, we report a technique for the assessment of percutaneous absorption at various gestational and postnatal ages using stable, isotope-labeled (13C6) benzoic acid. Our results indicate that in the preterm infant, this method detects enhanced skin absorption in the first postnatal days, which declines over three weeks to that expected of a full-term infant. This approach also indicates an inverse relationship between gestational age and skin absorption, as well as postnatal age and skin absorption. The reported technique is a safe and noninvasive method using a model skin penetrant for the study of percutaneous absorption in preterm infants from which basic data may be derived to add to our understanding of skin barrier function. PMID:3422856

  13. Development of in vitro isolated perfused porcine skin flaps for study of percutaneous absorption of xenobiotics. Annual report, 30 September 1985-29 September 1986

    SciTech Connect

    Riviere, J.E.; Carver, M.P.; Monteiro-Riviere, N.A.; Bowman, K.F.

    1986-11-01

    Interspecies comparisons of cutaneous anatomy and physiology suggest that the weanling pig is a suitable surrogate for human skin; however, very few investigations of percutaneous absorption phenomena have been conducted in pigs. This study examined the radiolabel excretion patterns after intravenous (IV) and topical administration of six /sup 14/C-labeled compounds in weanling Yorkshire sows. These data were required as a baseline to compare xenobiotic absorption in the isolated perfused procine skin flap (IPPSF) fully described in the first Annual Report (Riviere, J. E., Bowman, K. F., and Monteiro-Riviere, N. A., Development of In Vitro Isolated Perfused Porcine Skin Flaps for Study of Percutaneous Absorption of Xenobiotics, USAMRDC, DAMD17-84-C-4103, November 1, 1986).

  14. A first-principles study on interaction of Mg/Ni interface and its hydrogen absorption characteristics

    NASA Astrophysics Data System (ADS)

    Chen, Yuying; Dai, Jianhong; Xie, Ruiwen; Song, Yan

    2016-07-01

    We have investigated the interaction of Mg/Ni interface and its hydrogen adsorption characteristics using first-principles calculations to obtain a better understanding of the Mg/Ni interface as a hydrogen storage material. The smallest work of adhesion of Mg/Ni interface is 4.28 J/m2 with AB stacking sequence in the studied systems. Hydrogen adsorption energy and electronic structures were evaluated to study the interaction characteristics between hydrogen and Mg/Ni interface. The hydrogen adsorption is energetically favored on all considered sites. The hydrogen atom prefers to adsorb on the tetrahedral site of the Ni side of the interface owning the lowest adsorption energy. The plane-averaged charge density and the density of states analysis indicate that the absorption of hydrogen could stabilize the Mg/Ni interface owing to the strongly bonding interactions between hydrogen atom and the host Mg and Ni atoms. Therefore, Mg/Ni interface provides a promising medium for hydrogen storage.

  15. Dynamics of intramolecular electron transfer reaction of FAD studied by magnetic field effects on transient absorption spectra.

    PubMed

    Murakami, Masaaki; Maeda, Kiminori; Arai, Tatsuo

    2005-07-01

    The kinetics of intermediates generated from intramolecular electron-transfer reaction by photo irradiation of the flavin adenine dinucleotide (FAD) molecule was studied by a magnetic field effect (MFE) on transient absorption (TA) spectra. Existence time of MFE and MFE action spectra have a strong dependence on the pH of solutions. The MFE action spectra have indicated the existence of interconversion between the radical pair and the cation form of the triplet excited state of flavin part. All rate constants of the triplet and the radical pair were determined by analysis of the MFE action spectra and decay kinetics of TA. The obtained values for the interconversion indicate that the formation of cation radical promotes the back electron-transfer reaction to the triplet excited state. Further, rate constants of spin relaxation and recombination have been studied by the time profiles of MFE at various pH. The drastic change of those two factors has been obtained and can be explained by SOC (spin-orbit coupling) induced back electron-transfer promoted by the formation of a stacking conformation at pH > 2.5.

  16. [Chlorine speciation and concentration in cultivated soil in the northeastern China studied by X-ray absorption near edge structure].

    PubMed

    Li, Jing; Lang, Chun-Yan; Ma, Ling-Ling; Xu, Dian-Dou; Zheng, Lei; Lu, Yu-Nanz; Cui Li-Rui; Zhang, Xiao-Meng

    2014-10-01

    A procedure has been proposed to determine chlorine speciation and concentration in soil with X-ray absorption near edge structure (XANES), and this method was applied to study the cultivated soil (bog, dark brown and black cultivated soil) in the Northeastern China. Qualitative analysis was carried out by least-squares fitting of sample spectra with standard spectra of three model compounds (NaCl, 3-chloropropionic acid, chlorophenol red). Linear correlation between the absolute fluorescence intensity of a series of NaCl standards and the Cl concentration was used as quantification standard for measuring the total Cl concentration in samples. The detection limits,relative standard deviation (RSD), recoveries were 2 mg · kg(-1), 0%-5% and 77%-133%, respectively. The average concentration of total Cl was 19 mg · kg(-1). The average relative content was as high as 61% of organochlorine with the concentration of 1-2 times as high as the concentration of inorganic chloride. The distribution trend of the total Cl, inorganic chloride and organic chlorine in different types of soil was: bog arable soil > dark brown soil > black soil. In conclusion, XANES is a reliable method to nondestructively characterize the speciation and concentration of chlorine in soil, which would provide some basic data for the future study of the chlorine's biogeochemical transformations.

  17. X-ray Absorption and Emission Study of Dioxygen Activation by a Small-Molecule Manganese Complex

    PubMed Central

    Rees, Julian A.; Martin-Diaconescu, Vlad; Kovacs, Julie A.; DeBeer, Serena

    2015-01-01

    Manganese K-edge X-ray absorption (XAS) and Kβ emission (XES) spectroscopies were used to investigate the factors contributing to O–O bond activation in a small-molecule system. The recent structural characterization of a metastable peroxo-bridged dimeric Mn(III)2 complex derived from dioxygen has provided the first opportunity to obtain X-ray spectroscopic data on this type of species. Ground state and time-dependent density functional theory calculations have provided further insight into the nature of the transitions in XAS pre-edge and valence-to-core (VtC) XES spectral regions. An experimentally validated electronic structure description has also enabled the determination of structural and electronic factors that govern peroxo bond activation, and have allowed us to propose both a rationale for the metastability of this unique compound, as well as potential future ligand designs which may further promote or inhibit O–O bond scission. Finally, we have explored the potential of VtC XES as an element-selective probe of both the coordination mode and degree of activation of peroxomanganese adducts. The comparison of these results to a recent VtC XES study of iron-mediated dintrogen activation helps to illustrate the factors that may determine the success of this spectroscopic method for future studies of small-molecule activation at transition metal sites. PMID:26061165

  18. Comparative study of pretreatment methods for the determination of metals in atmospheric aerosol by electrothermal atomic absorption spectrometry.

    PubMed

    Karanasiou, A A; Thomaidis, N S; Eleftheriadis, K; Siskos, P A

    2005-03-15

    A comparative study of pretreatment methods for the determination of 10 elements (As, Cd, Pb, V, Ni, Mn, Cr, Cu, Fe, Al) in atmospheric aerosols by electrothermal atomic absorption spectrometry (ETAAS) was conducted. For the digestion of the particulates collected in filters, six methods were compared using a mixture of HNO(3) and HF with or without the addition of various oxidative agents (HClO(4) or H(2)O(2)) or acids (HCl). The comparative study was performed using loaded cellulose filter samples, which were digested in Parr bombs and heated in a conventional oven at 170 degrees C for 5h. The extraction efficiency and blanks were compared and it was proved that the digestion method using only HNO(3)-HF extracted most of the metals and gave the lowest blanks. The HNO(3)-HF mixture was selected for the development of an improved microwave digestion method specific for aerosol-loaded filters. The operating parameters were optimized, so that quantitative recovery of the reference materials NIST 1649a urban dust and NIST 1648 urban particulate matter was achieved. The blank of cellulose and teflon filters were also determined and compared. Teflon filters present the lowest blanks for all the elements. The obtained limits of detection for each type of filters were adequate for environmental monitoring purposes. ETAAS instrumental operation was also optimized for the compensation and the elimination of interferences. The temperature optimization was performed for each metal in every type of filter and optimized parameters are proposed for 10 elements.

  19. [Study on adsorption behavior of crosslinked polyarylonitrile for copper, lead, cadmium and zinc ions by atomic absorption spectrometry].

    PubMed

    Shawket, Abliz; Peng, Yang; Wang, Ji-De; Ismayil, Nurulla

    2010-04-01

    The crosslinked polymer polyacrylonitrile was synthesized by suspension polymerization using acrylonitrile and divinylbenzene. It has been used as adsorbent of some toxic heavy metals in environmental waters. Its adsorption for metals and the factors which affect the adsorption capacity were studied by atomic absorption spectrometry (AAS). The experimental results showed that under the optimal adsorption conditions, the pH of adsorbate solution was 5-6, static adsorption time was 1.5-2 h, and adsorption procedure was carried out at room temperature, polyacrylonitrile as adsorbent has high adsorption capacity (mg x g(-1)) for Cu2+, Pb2+, Cd2+ and Zn2+, which can reach 26.6, 45.2, 39.7 and 32.5 separately. Adsorption rate (%) was 83.6, 87.1, 85.3 and 86.7 respectively during the 1.5-2 h static adsorption time. It will be more than five-hour static adsorption time before adsorption rate reaches more than 96%. Using 0.10 mol x L(-1) chloride acid as the best desorption solvent to desorb the adsorbates, the recovery of them reached 95%. At the same time the adsorption mechanism of polymer was studied. PMID:20545173

  20. Study of the Local Structure of II-Vi Ternary Alloys by Extended X-Ray Absorption Fine Structure

    NASA Astrophysics Data System (ADS)

    Pong, Way-Faung

    Bondlengths, Debye-Waller factors, and site occupancy in the diluted magnetic semiconductors Zn_ {rm 1 - x}Mn_{ rm x}Se and Hg_{ rm 1 - x}Mn_{rm x}Te, and the narrow-gap semiconductor Hg _{rm 1 - x}Cd _{rm x}Te have been measured using extended x-ray absorption fine structure (EXAFS). The nearest-neighbor bond lengths in all of these alloys are found to be constant as a function of alloy composition within the experimental uncertainty of 0.01A. Because the average cation-cation distance changes with Mn composition, these results necessarily imply distortion of the tetrahedral bond angles. In the case of Zn_{rm 1 - x}Mn_{rm x} Se, the anion sublattice is shown to suffer the largest distortion, but the cation sublattice also exhibits some relaxation. The repercussions of these results are discussed, in terms of the amount of cation and anion sublattice distortion at low temperature and its connection to the superexchange mechanism occurring between the Mn ^{+2} ions and mediated by the intervening anion in Zn_{rm 1 - x}Mn_{rm x} Se. From the NN bond length relaxation results shown in this study and those reported elsewhere for the III -V-based and II-VI-based ternary compounds and DMS alloys, it appears that substitution of Mn^{+2 } ions into II-VI-based compounds causes greater local distortion, in general, than otherwise observed when group II cations are substituted for one another. We believe that the tetrahedral bond weakening in DMS is due to MN 3d-orbital (t_2) and anion p-orbital hybridization in DMS, leaving fewer p-orbitals available for tetrahedral bonding. This leads to the weakening of the bond force constants alpha, beta, as well as the bond becoming more ionic as Mn^{+2} is substituted into the II-VI-based compounds. Finally, the experimentally extended electron energy loss fine structure (EXELFS) technique, with modulations in the differential inelastic electron scattering cross -section above an absorption core edge, has been used in recent years to