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Sample records for nmol cm-2 h-1

  1. Effect of histamine H1 and H2 receptor antagonists, microinjected into cerebellar vermis, on emotional memory consolidation in mice

    Directory of Open Access Journals (Sweden)

    A.C.L. Gianlorenco

    2014-02-01

    Full Text Available This study investigated the effects of histamine H1 or H2 receptor antagonists on emotional memory consolidation in mice submitted to the elevated plus maze (EPM. The cerebellar vermis of male mice (Swiss albino was implanted using a cannula guide. Three days after recovery, behavioral tests were performed in the EPM on 2 consecutive days (T1 and T2. Immediately after exposure to the EPM (T1, animals received a microinjection of saline (SAL or the H1 antagonist chlorpheniramine (CPA; 0.016, 0.052, or 0.16 nmol/0.1 µL in Experiment 1, and SAL or the H2 antagonist ranitidine (RA; 0.57, 2.85, or 5.7 nmol/0.1 µL in Experiment 2. Twenty-four hours later, mice were reexposed to the EPM (T2 under the same experimental conditions but they did not receive any injection. Data were analyzed using one-way ANOVA and the Duncan test. In Experiment 1, mice microinjected with SAL and with CPA entered the open arms less often (%OAE and spent less time in the open arms (%OAT in T2, and there was no difference among groups. The results of Experiment 2 demonstrated that the values of %OAE and %OAT in T2 were lower compared to T1 for the groups that were microinjected with SAL and 2.85 nmol/0.1 µL RA. However, when animals were microinjected with 5.7 nmol/0.1 µL RA, they did not show a reduction in %OAE and %OAT. These results demonstrate that CPA did not affect behavior at the doses used in this study, while 5.7 nmol/0.1 µL RA induced impairment of memory consolidation in the EPM.

  2. Effect of histamine H1 and H2 receptor antagonists, microinjected into cerebellar vermis, on emotional memory consolidation in mice

    International Nuclear Information System (INIS)

    Gianlorenço, A.C.L.; Serafim, K.R.; Canto-de-Souza, A.; Mattioli, R.

    2014-01-01

    This study investigated the effects of histamine H1 or H2 receptor antagonists on emotional memory consolidation in mice submitted to the elevated plus maze (EPM). The cerebellar vermis of male mice (Swiss albino) was implanted using a cannula guide. Three days after recovery, behavioral tests were performed in the EPM on 2 consecutive days (T1 and T2). Immediately after exposure to the EPM (T1), animals received a microinjection of saline (SAL) or the H1 antagonist chlorpheniramine (CPA; 0.016, 0.052, or 0.16 nmol/0.1 µL) in Experiment 1, and SAL or the H2 antagonist ranitidine (RA; 0.57, 2.85, or 5.7 nmol/0.1 µL) in Experiment 2. Twenty-four hours later, mice were reexposed to the EPM (T2) under the same experimental conditions but they did not receive any injection. Data were analyzed using one-way ANOVA and the Duncan test. In Experiment 1, mice microinjected with SAL and with CPA entered the open arms less often (%OAE) and spent less time in the open arms (%OAT) in T2, and there was no difference among groups. The results of Experiment 2 demonstrated that the values of %OAE and %OAT in T2 were lower compared to T1 for the groups that were microinjected with SAL and 2.85 nmol/0.1 µL RA. However, when animals were microinjected with 5.7 nmol/0.1 µL RA, they did not show a reduction in %OAE and %OAT. These results demonstrate that CPA did not affect behavior at the doses used in this study, while 5.7 nmol/0.1 µL RA induced impairment of memory consolidation in the EPM

  3. Effect of histamine H1 and H2 receptor antagonists, microinjected into cerebellar vermis, on emotional memory consolidation in mice

    Energy Technology Data Exchange (ETDEWEB)

    Gianlorenço, A.C.L.; Serafim, K.R. [Laboratório de Neurociências, Departamento de Fisioterapia, Centro de Ciências Biológicas e da Saúde, Universidade Federal de São Carlos, São Carlos, SP, Brasil, Laboratório de Neurociências, Departamento de Fisioterapia, Centro de Ciências Biológicas e da Saúde, Universidade Federal de São Carlos, São Carlos, SP (Brazil); Canto-de-Souza, A. [Laboratório de Psicologia da Aprendizagem, Departamento de Psicologia, Centro de Educação e Ciências Humanas, Universidade Federal de São Carlos, São Carlos, SP, Brasil, Laboratório de Psicologia da Aprendizagem, Departamento de Psicologia, Centro de Educação e Ciências Humanas, Universidade Federal de São Carlos, São Carlos, SP (Brazil); Programa de Pós-Graduação em Ciências Fisiológicas, Universidade Federal de São Carlos, São Carlos, SP, Brasil, Programa de Pós-Graduação em Ciências Fisiológicas, Universidade Federal de São Carlos, São Carlos, SP (Brazil); Instituto de Neurociências e Comportamento, Universidade de São Paulo, Ribeirão Preto, SP, Brasil, Instituto de Neurociências e Comportamento, Universidade de São Paulo, Ribeirão Preto, SP (Brazil); Mattioli, R. [Laboratório de Neurociências, Departamento de Fisioterapia, Centro de Ciências Biológicas e da Saúde, Universidade Federal de São Carlos, São Carlos, SP, Brasil, Laboratório de Neurociências, Departamento de Fisioterapia, Centro de Ciências Biológicas e da Saúde, Universidade Federal de São Carlos, São Carlos, SP (Brazil)

    2014-02-17

    This study investigated the effects of histamine H1 or H2 receptor antagonists on emotional memory consolidation in mice submitted to the elevated plus maze (EPM). The cerebellar vermis of male mice (Swiss albino) was implanted using a cannula guide. Three days after recovery, behavioral tests were performed in the EPM on 2 consecutive days (T1 and T2). Immediately after exposure to the EPM (T1), animals received a microinjection of saline (SAL) or the H1 antagonist chlorpheniramine (CPA; 0.016, 0.052, or 0.16 nmol/0.1 µL) in Experiment 1, and SAL or the H2 antagonist ranitidine (RA; 0.57, 2.85, or 5.7 nmol/0.1 µL) in Experiment 2. Twenty-four hours later, mice were reexposed to the EPM (T2) under the same experimental conditions but they did not receive any injection. Data were analyzed using one-way ANOVA and the Duncan test. In Experiment 1, mice microinjected with SAL and with CPA entered the open arms less often (%OAE) and spent less time in the open arms (%OAT) in T2, and there was no difference among groups. The results of Experiment 2 demonstrated that the values of %OAE and %OAT in T2 were lower compared to T1 for the groups that were microinjected with SAL and 2.85 nmol/0.1 µL RA. However, when animals were microinjected with 5.7 nmol/0.1 µL RA, they did not show a reduction in %OAE and %OAT. These results demonstrate that CPA did not affect behavior at the doses used in this study, while 5.7 nmol/0.1 µL RA induced impairment of memory consolidation in the EPM.

  4. Hydrothermal syntheses, structural, Raman, and luminescence studies of Cm[M(CN)2]3.3H2O and Pr[M(CN)2]3.3H2O (M=Ag, Au)

    International Nuclear Information System (INIS)

    Assefa, Zerihun; Haire, Richard G.; Sykora, Richard E.

    2008-01-01

    We have prepared Cm[Au(CN) 2 ] 3 .3H 2 O and Cm[Ag(CN) 2 ] 3 .3H 2 O as a part of our continuing investigations into the chemistry of the 5f-elements' dicyanometallates. Single crystals of Cm[Au(CN) 2 ] 3 .3H 2 O were obtained from the reaction of CmCl 3 and KAu(CN) 2 under mild hydrothermal conditions. Due to similarities in size, the related praseodymium compounds were also synthesized and characterized for comparison with the actinide systems. The compounds crystallize in the hexagonal space group P6 3 /mcm, where the curium and the transition metals interconnect through cyanide bridging. Crystallographic data (Mo Kα, λ=0.71073 A): Cm[Au(CN) 2 ] 3 .3H 2 O (1), a=6.6614(5) A, c=18.3135(13) A, V=703.77(9), Z=2; Pr[Au(CN) 2 ] 3 .3H 2 O (3), a=6.6662(8) A, c=18.497(3) A, V=711.83(17), Z=2; Pr[Ag(CN) 2 ] 3 .3H 2 O (4), a=6.7186(8) A, c=18.678(2) A, V=730.18(14), Z=2. The Cm 3+ and/or Pr 3+ ions are coordinated to six N-bound CN - groups resulting in a trigonal prismatic arrangement. Three oxygen atoms of coordinated water molecules tricap the trigonal prismatic arrangement providing a coordination number of nine for the f-elements. The curium ions in both compounds exhibit a strong red emission corresponding to the 6 D 7/2 → 8 S 7/2 transition. This transition is observed at 16,780 cm -1 , with shoulders at 17,080 and 16,840 cm -1 for the Ag complex, while the emission is red shifted by ∼100 cm -1 in the corresponding gold complex. The Pr systems also provide well-resolved emissions upon f-f excitation. - Graphical abstract: Coordination polymeric compounds between a trans-plutonium element, curium and transition metal ions, gold(I) and silver(I), were prepared using the hydrothermal synthetic procedure. The curium ion and the transition metals are interconnected through cyanide bridging. The Cm ion has a tricapped trigonal prismatic coordination environment with coordination number of nine. Detail photoluminescence studies of the complexes are also reported

  5. Characteristics of planetary nebulae and H II regions based on lambda = 1. 35 cm continuum measurements

    Energy Technology Data Exchange (ETDEWEB)

    Braz, M A; Jardim, J O; Kaufmann, P [Universidade Mackenzie, Sao Paulo (Brazil). Centro de Radio-Astronomia et Astrofisica

    1975-11-01

    Physical parameters are derived and discussed for stronger H II regions and planetary nebulae for which continuum radio data at lambda = 1.35 cm was obtained. The study includes southern hemisphere planetary nebulae IC-418, NGC-6,302, NGC-6,369, and H II regions RCW-65, RCW-87, RCW-99, H 2-3 and H 2-6.

  6. Epidermal growth factor inhibits glycylsarcosine transport and hPepT1 expression in a human intestinal cell line

    DEFF Research Database (Denmark)

    Nielsen, C U; Amstrup, J; Steffansen, B

    2001-01-01

    (max) decreased from 2.61 +/- 0.4 to 1.06 +/- 0.1 nmol x cm(-2) x min(-1) (n = 3, P PepT1 mRNA (using glucose-6-phosphate dehydrogenase mRNA as control......) in cells treated with EGF. Western blotting indicated a decrease in hPepT1 protein in cell lysates. We conclude that EGF treatment decreases Gly-Sar transport in Caco-2 cells by decreasing the number of peptide transporter molecules in the apical membrane....

  7. Internal hydration H{sub 2}/O{sub 2} 100 cm{sup 2} polymer electrolyte membrane fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Miachon, S [CEA, Dept. de Recherche Fondamentale sur la Matiere Condensee, SESAM/PCM, 38 - Grenoble (France); Aldebert, P [CEA, Dept. de Recherche Fondamentale sur la Matiere Condensee, SESAM/PCM, 38 - Grenoble (France)

    1995-07-01

    This work deals with a new arrangement of a polymer electrolyte membrane fuel cell (PEMFC) support which allows the operation of a 100 cm{sup 2} surface area fuel cell with cold and unhumidified gases. Hydrogen is not recycled. Both gases (pure hydrogen and oxygen) are heated and humidified internally, each one crossing a porous carbon block. This allows a simplified water management. Classical low platinum loading E-Tek{sup R} electrodes, hot-pressed on Nafion{sup R} 117 and 112 membranes, are used. Performances are then a little higher than those of comparable PEMFCs in the literature: 0.7 V at 0.7 A/cm{sup 2} for Nafion{sup R} 117, and 0.724 V at 1 A/cm{sup 2} for Nafion{sup R} 112, under 4/6 bar (absolute) of H{sub 2}/O{sub 2} at 100 C. The values of PEMFC resistance obtained in fitting the data were found to be R=0.254 (with Nafion{sup R} 117) and 0.108 {Omega} cm{sup 2} (with Nafion{sup R} 112). The membrane contribution to the cell resistance was then estimated to be R{sub m}=0.204 and 0.058 {Omega} cm{sup 2}, respectively (with Nafion{sup R} conductivity estimated at 0.103 S/cm at 100 C in working fuel cell conditions). This membrane is therefore the major contributor to the total cell resistance. (orig.)

  8. On employing H216O, H217O, H218O, and D216O lines as frequency standards in the 15-170 cm-1 window

    International Nuclear Information System (INIS)

    Furtenbacher, Tibor; Csaszar, Attila G.

    2008-01-01

    The protocol MARVEL, standing for measured active rotational-vibrational energy levels, is used to study high-accuracy measurements of rotational lines of four isotopologues of water, H 2 16 O, H 2 17 O, H 2 18 O, and D 2 16 O, obtained by spectroscopy in the far-infrared (FIR) region of 15-170 cm -1 by Matsushima et al. [Matsushima F, Odashima H, Iwasaki T, Tsunekawa S, Takagi K. Frequency measurement of pure rotational transitions of H 2 O from 0.5 to 5 THz. J Mol Struct 1995; 352/353, 371-8; Matsushima F, Nagase H, Nakauchi T, Odashima H, Takagi K. Frequency measurement of pure rotational transitions of H 2 17 O and H 2 18 O from 0.5 to 5 THz. J Mol Spectrosc 1999;193: 217-23; Matsushima F, Matsunaga M, Qian GY, Ohtaki Y, Wang RL, Takagi K. Frequency measurement of pure rotational transitions of D 2 O from 0.5 to 5 THz. J Mol Spectrosc 2001;206: 41-6; Matsushima F, Tomatsu N, Nagai T, Moriwaki Y, Takagi K. Frequency measurement of pure rotational transitions in the v 2 =1 state of H 2 O. J Mol Spectrosc 2006;235: 190-5]. MARVEL validates the high accuracy of most of the measured line positions. It results in a considerable number of energy levels with an average internal uncertainty of only 40 kHz (2σ). It also supports serious inaccuracy problems when Watson-type A-reduced Hamiltonians are used for predicting the highly accurate rotational measurements for water. Finally, MARVEL suggests a large number of para-water levels, for example 41 for H 2 16 O, which are candidates for becoming frequency standards in the FIR region of 15-170 cm -1 (the 0.5-5 THz window) when an accuracy of about 0.1 MHz is deemed to be sufficient

  9. Measurements of NH3 linestrengths and collisional broadening coefficients in N2, O2, CO2, and H2O near 1103.46cm-1

    KAUST Repository

    Owen, Kyle

    2013-05-01

    Laser-based ammonia gas sensors have useful applications in many fields including combustion, atmospheric monitoring, and medical diagnostics. Calibration-free trace gas sensors require the spectroscopic parameters including linestrengths and collisional broadening coefficients to be known. Ammonia\\'s strong ν2 vibrational band between 9 - 12 μm has the high absorption strength needed for sensing small concentrations. Within this band, the 1103.46cm-1 feature is one of the strongest and has minimal interference from CO2 and H2O. However, the six rotational transitions that make up this feature have not been studied previously with absorption spectroscopy due to their small line spacing ranging from 0.004 to 0.029cm-1. A tunable quantum cascade laser was used to accurately study these six transitions. A retrieval program was used to determine the linestrengths and collisional broadening coefficients based on Voigt and Galatry profiles. The experiments were performed with ammonia mixtures in nitrogen, oxygen, water vapor, and carbon dioxide at room temperature in an optical cell. These data are going to aid in the development of quantitative ammonia sensors utilizing this strong absorption feature. © 2013 Elsevier Ltd.

  10. FLICKERING OF 1.3 cm SOURCES IN SGR B2: TOWARD A SOLUTION TO THE ULTRACOMPACT H II REGION LIFETIME PROBLEM

    Energy Technology Data Exchange (ETDEWEB)

    De Pree, C. G.; Monsrud, A. [Agnes Scott College, 141 East College Avenue, Decatur, GA 30030 (United States); Peters, T. [Institut für Theoretische Physik, Universität Zürich, CH-8057 Zürich (Switzerland); Mac Low, M.-M. [American Museum of Natural History, New York, NY 10024 (United States); Wilner, D. J.; Keto, E. R. [Harvard-Smithsonian CfA, Cambridge, MA 02138 (United States); Goss, W. M. [National Radio Astronomy Observatory, Socorro, NM 87801 (United States); Galván-Madrid, R. [European Southern Observatory, Karl-Schwarzschild-Str. 2, D-85748 Garching (Germany); Klessen, R. S. [Zentrum für Astronomie, Institut für Theoretische Astrophysik, Universität Heidelberg, Albert-Ueberle-Str. 2, D-69120 Heidelberg (Germany)

    2014-02-01

    Accretion flows onto massive stars must transfer mass so quickly that they are themselves gravitationally unstable, forming dense clumps and filaments. These density perturbations interact with young massive stars, emitting ionizing radiation, alternately exposing and confining their H II regions. As a result, the H II regions are predicted to flicker in flux density over periods of decades to centuries rather than increase monotonically in size as predicted by simple Spitzer solutions. We have recently observed the Sgr B2 region at 1.3 cm with the Very Large Array in its three hybrid configurations (DnC, CnB, and BnA) at a resolution of ∼0.''25. These observations were made to compare in detail with matched continuum observations from 1989. At 0.''25 resolution, Sgr B2 contains 41 ultracompact (UC) H II regions, 6 of which are hypercompact. The new observations of Sgr B2 allow comparison of relative peak flux densities for the H II regions in Sgr B2 over a 23 year time baseline (1989-2012) in one of the most source-rich massive star forming regions in the Milky Way. The new 1.3 cm continuum images indicate that four of the 41 UC H II regions exhibit significant changes in their peak flux density, with one source (K3) dropping in peak flux density, and the other three sources (F10.303, F1, and F3) increasing in peak flux density. The results are consistent with statistical predictions from simulations of high mass star formation, suggesting that they offer a solution to the lifetime problem for UC H II regions.

  11. Physics at 1034 cm-2 s-1

    International Nuclear Information System (INIS)

    Diebold, R.; Wagner, R.

    1984-01-01

    Most of the detector studies at Snowmass-84 have rightfully concentrated on detailed studies of individual interactions - their rates, signatures, and backgrounds. Depending on the physics and the detector components, there seems to be agreement that general-purpose detectors will likely be able to accept luminosities up to 10 32-33 cm -2 s -1 . The purpose of this paper is to show how the physics reach of the SSC is extended by going to a luminosity of 10 34 cm -2 s -1 , to take a first look at what sort of detector could be used at this luminosity, and to discuss how one might trigger on interesting events in the presence of many overlapping minimum bias events. We will assume that the SSC turns on at 10 31 or 10 32 cm -2 s -1 , with an increase of luminosity to 10 33 over a period of a few years as the machine and detectors become better understood. Thus, the lower mass scale will have been explored and we can set our thresholds high when running 10 34

  12. Intra-cerebellar microinjection of histamine enhances memory consolidation of inhibitory avoidance learning in mice via H2 receptors.

    Science.gov (United States)

    Gianlorenço, A C L; Canto-de-Souza, A; Mattioli, R

    2013-12-17

    Studies have demonstrated the relationship between the histaminergic system and the cerebellum, and we intend to investigate the role of the cerebellar histaminergic system on memory consolidation. This study investigated the effect of intra-cerebellar microinjection of histamine on memory retention of inhibitory avoidance in mice, and the role of H1 and H2 receptors in it. The cerebellar vermis of male mice were implanted with guide cannulae, and after three days of recovery, the inhibitory avoidance test was performed. Immediately after a training session, animals received a microinjection of histaminergic drugs: in the experiment 1, saline (SAL) or histamine (HA 0.54, 1.36, 2.72 or 4.07 nmol); experiment 2, SAL or 1.36 nmol HA 5 min after a pretreatment with 0.16 nmol chlorpheniramine (CPA) or SAL; and experiment 3, SAL or 1.36 nmol HA 5 min after a pretreatment with 2.85 nmol ranitidine (RA) or SAL. Twenty-four hours later, a retention test was performed. The data were analyzed using one-way analysis of variance (ANOVA) and Duncan's tests. In experiment 1, animals microinjected with 1.36 nmol HA showed a higher latency to cross to the dark compartment compared to controls and to 2.72 and 4.07 nmol HA groups. In experiment 2, the combined infusions revealed difference between control (SAL+SAL) and SAL+HA and CPA+HA; while in the experiment 3 the analysis indicated differences in retention latency between mice injected with SAL+SAL and SAL+HA. The groups that received the H2 antagonist RA did not show difference compared to control. These results indicate that 1.36 nmol HA enhances memory consolidation of inhibitory avoidance learning in mice and that the pretreatment with H2 antagonist RA was able to prevent this effect. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  13. Am/Cm target glass durability dependence on pH (U). Revision 1

    International Nuclear Information System (INIS)

    Daniel, W.E.; Best, D.R.

    1996-03-01

    At the Westinghouse Savannah River Company near Aiken, South Carolina, a process is being developed to safely vitrify all of the highly radioactive americium/curium (Am/Cm) material and a portion of the other fissile actinide materials stored on site. One goal of this campaign is to provide Oak Ridge National Laboratory with the excess Am/Cm so it can be recycled as opposed to simply disposing of it as waste. The vitrification will allow safe transportation of the Am/Cm to Oak Ridge as well as safe storage once it arrives. The Am/Cm Target glass being used in this project has been specifically designed to be extremely durable in aqueous environments while it can be selectively attacked by nitric acid to recover the valuable Am and Cm isotopes. Similar glass compositions could be used for storage and retrieval of other actinides on the WSRC site. Previous reports have presented the time, temperature, and compositional dependence of the Am/Cm glass durability. This paper will show results from a pH study on the Am/Cm Target glass durability. The data indicate that the Am/Cm Target Glass durability decreases as pH decreases from a neutral reading. These findings support the extraction of the valuable isotopes from the glass using nitric acid

  14. Hypertensive response to stress: the role of histaminergic H1 and H2 receptors in the medial amygdala.

    Science.gov (United States)

    de Almeida, Daniela Oliveira; Ferreira, Hilda Silva; Pereira, Luana Bomfim; Fregoneze, Josmara Bartolomei

    2015-05-15

    Different brain areas seem to be involved in the cardiovascular responses to stress. The medial amygdala (MeA) has been shown to participate in cardiovascular control, and acute stress activates the MeA to a greater extent than any of the other amygdaloid structures. It has been demonstrated that the brain histaminergic system may be involved in behavioral, autonomic and neuroendocrine responses to stressful situations. The aim of the present study was to investigate the role of the histaminergic receptors H1 and H2 in cardiovascular responses to acute restraint stress. Wistar rats (280-320g) received bilateral injections of cimetidine, mepyramine or saline into the MeA and were submitted to 45min of restraint stress. Mepyramine microinjections at doses of 200, 100 and 50nmol promoted a dose-dependent blockade of the hypertensive response induced by the restraint stress. Cimetidine (200 and 100nmol) promoted a partial blockade of the hypertensive response to stress only at the highest dose administered. Neither drugs altered the typical stress-evoked tachycardiac responses. Furthermore, mepyramine and cimetidine were unable to modify the mean arterial pressure or heart rate of freely moving rats under basal conditions (non-stressed rats). The data suggest that in the MeA the histaminergic H1 receptors appear to be more important than H2 receptors in the hypertensive response to stress. Furthermore, there appears to be no histaminergic tonus in the MeA controlling blood pressure during non-stress conditions. Copyright © 2015 Elsevier Inc. All rights reserved.

  15. Complexation of Cm(III) and Eu(III) with 2,6-bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine and 2-bromohexanoic acid studied by time-resolved laser fluorescence spectroscopy

    International Nuclear Information System (INIS)

    Bremer, A.; Panak, P.J.; Heidelberg Univ.; Geist, A.

    2013-01-01

    The complexation of Cm(III) and Eu(III) with 2,6-bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine (C5-BPP) and 2-bromohexanoic acid as lipophilic anion has been investigated by time-resolved laser fluorescence spectroscopy. Upon increasing ligand concentration three different Cm(III)-C5-BPP species with emission bands at 604.1 nm, 607.9 nm and 611.4 nm, respectively, are found and attributed to complexes with one, two and three C5-BPP molecules in the inner coordination sphere. Comparison with results of TRLFS experiments without 2-bromohexanoic acid shows that the C5-BPP ligand is able to completely displace the lipophilic anion from the inner coordination sphere, forming [Cm(C5-BPP) 3 ] 3+ complexes. This complex is also found in the organic phase of an extraction experiment performed with Cm(III), demonstrating that the lipophilic anion required for the extraction is not directly coordinated to the metal ion in the species formed during extraction. In case of Eu(III) the number of different species formed cannot be determined accurately. Nevertheless, the formation of the complex [EU(C5-BPP) 3 ] 3+ in the presence of 2-bromohexanoic acid is confirmed. (orig.)

  16. Choice of Surgical Procedure for Patients With Non-Small-Cell Lung Cancer ≤ 1 cm or > 1 to 2 cm Among Lobectomy, Segmentectomy, and Wedge Resection

    DEFF Research Database (Denmark)

    Dai, Chenyang; Shen, Jianfei; Ren, Yijiu

    2016-01-01

    PURPOSE: According to the lung cancer staging project, T1a (≤ 2 cm) non-small-cell lung cancer (NSCLC) should be additionally classified into ≤ 1 cm and > 1 to 2 cm groups. This study aimed to investigate the surgical procedure for NSCLC ≤ 1 cm and > 1 to 2 cm. METHODS: We identified 15...... multiple prognostic factors. RESULTS: OS and LCSS favored lobectomy compared with segmentectomy or wedge resection in patients with NSCLC ≤ 1 cm and > 1 to 2 cm. Multivariable analysis showed that segmentectomy and wedge resection were independently associated with poorer OS and LCSS than lobectomy...... for NSCLC ≤ 1 cm and > 1 to 2 cm. With sublobar resection, lower OS and LCSS emerged for NSCLC > 1 to 2 cm after wedge resection, whereas similar survivals were observed for NSCLC ≤ 1 cm. Multivariable analyses showed that wedge resection is an independent risk factor of survival for NSCLC > 1 to 2 cm...

  17. Photoelectrocatalytic reduction of CO2 into chemicals using Pt-modified reduced graphene oxide combined with Pt-modified TiO2 nanotubes.

    Science.gov (United States)

    Cheng, Jun; Zhang, Meng; Wu, Gai; Wang, Xin; Zhou, Junhu; Cen, Kefa

    2014-06-17

    The photoelectrocatalytic (PEC) reduction of CO2 into high-value chemicals is beneficial in alleviating global warming and advancing a low-carbon economy. In this work, Pt-modified reduced graphene oxide (Pt-RGO) and Pt-modified TiO2 nanotubes (Pt-TNT) were combined as cathode and photoanode catalysts, respectively, to form a PEC reactor for converting CO2 into valuable chemicals. XRD, XPS, TEM, AFM, and SEM were employed to characterize the microstructures of the Pt-RGO and Pt-TNT catalysts. Reduction products, such as C2H5OH and CH3COOH, were obtained from CO2 under band gap illumination and biased voltage. A combined liquid product generation rate (CH3OH, C2H5OH, HCOOH, and CH3COOH) of approximately 600 nmol/(h·cm(2)) was observed. Carbon atom conversion rate reached 1,130 nmol/(h·cm(2)), which were much higher than those achieved using Pt-modified carbon nanotubes and platinum carbon as cathode catalysts.

  18. Modelling redshift space distortion in the post-reionization H I 21-cm power spectrum

    Science.gov (United States)

    Sarkar, Debanjan; Bharadwaj, Somnath

    2018-05-01

    The post-reionization H I 21-cm signal is an excellent candidate for precision cosmology, this however requires accurate modelling of the expected signal. Sarkar et al. have simulated the real space H I 21-cm signal and have modelled the H I power spectrum as P_{{H I}}(k)=b^2 P(k), where P(k) is the dark matter power spectrum and b(k) is a (possibly complex) scale-dependent bias for which fitting formulas have been provided. This paper extends these simulations to incorporate redshift space distortion and predicts the expected redshift space H I 21-cm power spectrum P^s_{{H I}}(k_{\\perp },k_{allel }) using two different prescriptions for the H I distributions and peculiar velocities. We model P^s_{{H I}}(k_{\\perp },k_{allel }), assuming that it is the product of P_{{H I}}(k)=b^2 P(k) with a Kaiser enhancement term and a Finger of God (FoG) damping which has σp the pair velocity dispersion as a free parameter. Considering several possibilities for the bias and the damping profile, we find that the models with a scale-dependent bias and a Lorentzian damping profile best fit the simulated P^s_{{H I}}(k_{\\perp },k_{allel }) over the entire range 1 ≤ z ≤ 6. The best-fitting value of σp falls approximately as (1 + z)-m with m = 2 and 1.2, respectively, for the two different prescriptions. The model predictions are consistent with the simulations for k models underpredict P^s_2(k) at large k, and the fit is restricted to k < 0.15 Mpc-1.

  19. Novel 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivatives: a patent review (2008 - 2011).

    Science.gov (United States)

    Ferreira, Vitor F; da Rocha, David R; da Silva, Fernando C; Ferreira, Patrícia G; Boechat, Núbia A; Magalhães, Jorge L

    2013-03-01

    The triazoles represent a class of five-membered heterocyclic compounds of great importance for the preparation of new drugs with diverse biological activities because they may present several structural variations with the same numbers of carbon and nitrogen atoms. Due to the success of various triazoles that entered the pharmaceutical market and are still being used in medicines, many companies and research groups have shown interest in developing new methods of synthesis and biological evaluation of potential uses for these compounds. In this review, the authors explored aspects of patents for the 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole families, including prototypes being considered in clinical studies between 2008 and 2011. The triazoles have been studied for over a century as an important class of heterocyclic compounds and still attract considerable attention due to their broad range of biological activities. More recently, there has been considerable interest in the development of novel triazoles with anti-inflammatory, antiplatelet, antimicrobial, antimycobacterial, antitumoral and antiviral properties and activity against several neglected diseases. This review emphasizes recent perspective and advances in the therapeutically active 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivative patents between 2008 and 2011, covering the development of new chemical entities and new pharmaceuticals. Many studies have focused on these compounds as target structures and evaluated them in several biological targets. The preparation of 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivatives brings to light several issues. There is a need to find new, more efficient preparations for these triazoles that take into consideration current issues in green chemistry, energy saving and sustainability. New diseases are discovered and new viruses and bacteria continue to challenge mankind, so it is imperative to find new prototypes for these

  20. An empirical spectroscopic database for acetylene in the regions of 5850-6341 cm-1 and 7000-9415 cm-1

    Science.gov (United States)

    Lyulin, O. M.; Campargue, A.

    2017-12-01

    Six studies have been recently devoted to a systematic analysis of the high-resolution near infrared absorption spectrum of acetylene recorded by Cavity Ring Down spectroscopy (CRDS) in Grenoble and by Fourier-transform spectroscopy (FTS) in Brussels and Hefei. On the basis of these works, in the present contribution, we construct an empirical database for acetylene in the 5850-9415 cm-1 region excluding the 6341-7000 cm-1 interval corresponding to the very strong ν1+ν3 manifold. Our database gathers and extends information included in our CRDS and FTS studies. In particular, the intensities of about 1700 lines measured by CRDS in the 7244-7920 cm-1 region are reported for the first time together with those of several bands of 12C13CH2 present in natural isotopic abundance in the acetylene sample. The Herman-Wallis coefficients of most of the bands are derived from a fit of the measured intensity values. A recommended line list is provided with positions calculated using empirical spectroscopic parameters of the lower and upper energy vibrational levels and intensities calculated using the derived Herman-Wallis coefficients. This approach allows completing the experimental list by adding missing lines and improving poorly determined positions and intensities. As a result the constructed line list includes a total of 11113 transitions belonging to 150 bands of 12C2H2 and 29 bands of 12C13CH2. For comparison the HITRAN database in the same region includes 869 transitions of 14 bands, all belonging to 12C2H2. Our weakest lines have an intensity on the order of 10-29 cm/molecule, about three orders of magnitude smaller than the HITRAN intensity cut off. Line profile parameters are added to the line list which is provided in HITRAN format. The comparison of the acetylene database to the HITRAN2012 line list or to results obtained using the global effective operator approach is discussed in terms of completeness and accuracy.

  1. The 2ν2 bands of H212CO and H213CO by high-resolution FTIR spectroscopy

    Science.gov (United States)

    Tan, T. L.; A'dawiah, Rabia'tul; Ng, L. L.

    2017-10-01

    The Fourier transform infrared (FTIR) absorption spectra of the 2ν2 overtone bands of formaldehyde H212CO and its isotopologue H213CO were recorded at an unapodized resolution of 0.0063 cm-1 in the 3300-3540 cm-1 region. Upper state (v2 = 2) rovibrational up to two sextic centrifugal distortion constants were accurately determined for both H212CO and H213CO. A total of 533 unperturbed infrared transitions of H212CO and 466 unperturbed infrared transitions of H212CO were assigned and fitted with rms deviations of 0.0012 cm-1 and 0.00084 cm-1 respectively using Watson's A-reduced Hamiltonian in the Ir representation. Analysis of new transitions for H212CO measured in this work yielded upper state constants with greater accuracy than previously reported. The infrared transitions of the 2ν2 band of H213CO were measured for the first time. The band center of the A-type 2ν2 band of H212CO was found to be 3471.71403 ± 0.00012 cm-1 and that of H213CO was 3396.628983 ± 0.000083 cm-1. Furthermore, the newly assigned high-resolution infrared lines of the 2ν2 bands in the 3300-3540 cm-1 region can be useful in detecting the H212CO and H213CO molecules in this IR region.

  2. 1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H-one–4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] (1/1

    Directory of Open Access Journals (Sweden)

    Krzysztof Lyczko

    2013-01-01

    Full Text Available The asymmetric unit of the title compound, C11H12N2O·C25H28N4O2, contains two different molecules. The smaller is known as antipyrine [systematic name: 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] and the larger is built up from two antypirine molecules which are connected through a C atom of the pyrazolone ring to a central propanyl part [systematic name: 4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one]. Intramolecular C—H...O hydrogen bonds occur in the latter molecule. In the crystal, C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001.

  3. Effect of pH on stability constants of Am(III)- and Cm(III)- humate complexes

    International Nuclear Information System (INIS)

    Samadfam, Mohammad; Jintoku, Takashi; Sato, Seichi; Ohashi, Hiroshi; Mitsugashira, Toshiaki; Hara, Mitsuo; Suzuki, Yoshimitsu

    1999-01-01

    The apparent stability constants of Am(III)- and Cm(III)-humate complexes were determined by dialysis method at ionic strength 0.1 in the pH range from 3.3 to 5.7 under N 2 bubbling. The Am(III) and Cm(III) loadings were about 10 -7 and 10 -10 mol/dm 3 . The concentrations of Am-241 and Cm-242 tracers were measured by α-spectrometry. It was found that the apparent stability constants were almost identical for both the Am(III)-humate and Cm(III)-humate complexes. The apparent stability constants showed a small pH-dependence, increasing from 10 4.6 at pH 3.3 to 10 5.1 at pH 5.7. The ionization of acidic functional groups of humic acid is possibly the primary factor. Above pH 6, the dialysis membrane was no langer permeable to Am(III) and Cm(III) ions and the apparent stability constant could not be experimentally obtained. The apparent stability constants between pH 6 and pH 8.5 were evaluated by considering that both binary metal-humate and ternary metal-hydroxo-humate complexes exist at pHs above 6. It was assumed that mono-hydroxo-humate complex Am(OH)HA and Cm(OH)HA are the major ternary complexes that exist below pH 9. The overall stability constants for Am(III)- and Cm(III)-humate complexes increased from 10 5.7 at pH 6 to 10 7.2 at pH 8. This implies that the formation of metal-hydroxo-humate species is preferred over the formation of hydroxide species. The apparent overall stability constants can be easily incorporated into geochemical modeling of trivalent actinide migration. The results of the present study show that the apparent stability constants determined experimentally at pH≤6 do not represent the complexation properties at higher pHs and the formation of ternary complexes should be considered in speciation calculations of radionuclides at terrestrial environment. (J.P.N.)

  4. Patch testing with 2.0% (0.60 mg/cm2) formaldehyde instead of 1.0% (0.30 mg/cm2) detects significantly more contact allerg

    DEFF Research Database (Denmark)

    Pontén, Ann; Aalto-Korte, Kristiina; Agner, Tove

    2013-01-01

    .To validate earlier patch test results for comparison of 1% (wt/vol) and 2% (wt/vol) formaldehyde in water, and to investigate co-reactivity with quaternium-15. Materials and methods.In 12 dermatology clinics, 3591 patients were routinely patch tested simultaneously with 2.0% (wt/vol) (0.60 mg/cm(2) ) and 1.......0% (wt/vol) (0.30 mg/cm(2) ) formaldehyde. Micropipettes were used for delivering the exact dosage of the allergen. Results.Significantly more patients reacted to 2.0% formaldehyde than to 1.0% (3.4% versus 1.8%, p

  5. BROAD N2H+ EMISSION TOWARD THE PROTOSTELLAR SHOCK L1157-B1

    International Nuclear Information System (INIS)

    Codella, C.; Fontani, F.; Gómez-Ruiz, A.; Vasta, M.; Viti, S.; Ceccarelli, C.; Lefloch, B.; Podio, L.; Benedettini, M.; Busquet, G.; Caselli, P.

    2013-01-01

    We present the first detection of N 2 H + toward a low-mass protostellar outflow, namely, the L1157-B1 shock, at ∼0.1 pc from the protostellar cocoon. The detection was obtained with the IRAM 30 m antenna. We observed emission at 93 GHz due to the J = 1-0 hyperfine lines. Analysis of this emission coupled with HIFI CHESS multiline CO observations leads to the conclusion that the observed N 2 H + (1-0) line originated from the dense (≥10 5 cm –3 ) gas associated with the large (20''-25'') cavities opened by the protostellar wind. We find an N 2 H + column density of a few 10 12 cm2 corresponding to an abundance of (2-8) × 10 –9 . The N 2 H + abundance can be matched by a model of quiescent gas evolved for more than 10 4 yr, i.e., for more than the shock kinematical age (≅2000 yr). Modeling of C-shocks confirms that the abundance of N 2 H + is not increased by the passage of the shock. In summary, N 2 H + is a fossil record of the pre-shock gas, formed when the density of the gas was around 10 4 cm –3 , and then further compressed and accelerated by the shock

  6. The H2 receptor antagonist nizatidine is a P-glycoprotein substrate: characterization of its intestinal epithelial cell efflux transport.

    Science.gov (United States)

    Dahan, Arik; Sabit, Hairat; Amidon, Gordon L

    2009-06-01

    The aim of this study was to elucidate the intestinal epithelial cell efflux transport processes that are involved in the intestinal transport of the H(2) receptor antagonist nizatidine. The intestinal epithelial efflux transport mechanisms of nizatidine were investigated and characterized across Caco-2 cell monolayers, in the concentration range 0.05-10 mM in both apical-basolateral (AP-BL) and BL-AP directions, and the transport constants of P-glycoprotein (P-gp) efflux activity were calculated. The concentration-dependent effects of various P-gp (verapamil, quinidine, erythromycin, ketoconazole, and cyclosporine A), multidrug resistant-associated protein 2 (MRP2; MK-571, probenecid, indomethacin, and p-aminohipuric acid), and breast cancer resistance protein (BCRP; Fumitremorgin C) inhibitors on nizatidine bidirectional transport were examined. Nizatidine exhibited 7.7-fold higher BL-AP than AP-BL Caco-2 permeability, indicative of net mucosal secretion. All P-gp inhibitors investigated displayed concentration-dependent inhibition on nizatidine secretion in both directions. The IC(50) of verapamil on nizatidine P-gp secretion was 1.2 x 10(-2) mM. In the absence of inhibitors, nizatidine displayed concentration-dependent secretion, with one saturable (J(max) = 5.7 x 10(-3) nmol cm(-2) s(-1) and K(m) = 2.2 mM) and one nonsaturable component (K(d) = 7 x 10(-4) microL cm(-2) s(-1)). Under complete P-gp inhibition, nizatidine exhibited linear secretory flux, with a slope similar to the nonsaturable component. V(max) and K(m) estimated for nizatidine P-gp-mediated secretion were 4 x 10(-3) nmol cm(-2) s(-1) and 1.2 mM, respectively. No effect was obtained with the MRP2 or the BCRP inhibitors. Being a drug commonly used in pediatrics, adults, and elderly, nizatidine susceptibility to efflux transport by P-gp revealed in this paper may be of significance in its absorption, distribution, and clearance, as well as possible drug-drug interactions.

  7. GFDL CM2.1 Global Coupled Ocean-Atmosphere Model Water ...

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. GFDL CM2.1 Global Coupled Ocean-Atmosphere Model Water Hosing Experiment with 1 Sv equivalent of Freshening Control Expt: 100 yrs After Hosing: 300 yrs.

  8. DEEP 21 cm H I OBSERVATIONS AT z ∼ 0.1: THE PRECURSOR TO THE ARECIBO ULTRA DEEP SURVEY

    International Nuclear Information System (INIS)

    Freudling, Wolfram; Zwaan, Martin; Staveley-Smith, Lister; Meyer, Martin; Catinella, Barbara; Minchin, Robert; Calabretta, Mark; Momjian, Emmanuel; O'Neil, Karen

    2011-01-01

    The 'ALFA Ultra Deep Survey' (AUDS) is an ongoing 21 cm spectral survey with the Arecibo 305 m telescope. AUDS will be the most sensitive blind survey undertaken with Arecibo's 300 MHz Mock spectrometer. The survey searches for 21 cm H I line emission at redshifts between 0 and 0.16. The main goals of the survey are to investigate the H I content and probe the evolution of H I gas within that redshift region. In this paper, we report on a set of precursor observations with a total integration time of 53 hr. The survey detected a total of eighteen 21 cm emission lines at redshifts between 0.07 and 0.15 in a region centered around α 2000 ∼ 0 h , δ ∼ 15 0 42'. The rate of detection is consistent with the one expected from the local H I mass function. The derived relative H I density at the median redshift of the survey is ρ H I [z = 0.125] = (1.0 ± 0.3)ρ 0 , where ρ 0 is the H I density at zero redshift.

  9. The denitrification paradox: The role of O2 in sediment N2O production

    Science.gov (United States)

    Barnes, Jonathan; Upstill-Goddard, Robert C.

    2018-01-01

    We designed a novel laboratory sediment flux chamber in which we maintained the headspace O2 partial pressure at preselected values, allowing us to experimentally regulate "in-situ" O2 to evaluate its role in net N2O production by an intertidal estuarine sediment (Tyne, UK). In short-term (30 h) incubations with 10 L of overlying estuarine water (∼3 cm depth) and headspace O2 regulation (headspace: sediment/water ratio ∼9:1), net N2O production was highest at 1.2% O2 (sub-oxic; 32.3 nmol N2O m-2 d-1), an order of magnitude higher than at either 0.0% (anoxic; 2.5 N2O nmol m-2 d-1) or 20.85% (ambient; 2.3 nmol N2O m-2 d-1) O2. In a longer-term sealed incubation (∼490 h) without O2 control, time-dependent behaviour of N2O in the tank headspace was highly non-linear with time, showing distinct phases: (i) an initial period of no or little change in O2 or N2O up to ∼ 100 h; (ii) a quasi-linear, inverse correlation between O2 and N2O to ∼360 h, in which O2 declined to ∼2.1% and N2O rose to ∼7800 natm; (iii) over the following 50 h a slower O2 decline, to ∼1.1%, and a more rapid N2O increase, to ∼12000 natm; (iv) over the next 24 h a slowed O2 decline towards undetectable levels and a sharp fall in N2O to ∼4600 natm; (iv) a continued N2O decrease at zero O2, to ∼3000 natm by ∼ 490 h. These results show clearly that rapid N2O consumption (∼115 nmol m-2 d-1), presumably via heterotrophic denitrification (HD), occurs under fully anoxic conditions and therefore that N2O production, which was optimal for sub-oxic O2, results from other nitrogen transformation processes. In experiments in which we amended sediment overlying water to either 1 mM NH4+ or 1 mM NO3-, N2O production rates were 2-134 nmol N2O m-2 d-1 (NH4+ addition) and 0.4-2.2 nmol N2O m-2 d-1 (NO3- addition). We conclude that processes involving NH4+ oxidation (nitrifier nitrification; nitrifier denitrification; nitrification-coupled denitrification) are principally responsible for N2O

  10. Spectral Analysis of 3-(Adamantan-1-yl)-4-Ethyl-1-[(4-Phenylpiperazin-1-yl) Methyl]-1 H-1,2,4-Triazole-5(4 H)-Thione

    Science.gov (United States)

    Mindarava, Y. L.; Shundalau, M. B.; Al-Wahaibi, L. H.; El-Emam, A. A.; Matsukovich, A. S.; Gaponenko, S. V.

    2018-05-01

    Vibrational IR (3200-650 cm-1) and Raman spectra (3200-150 cm-1) of adamantane-containing 3-(adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione, which is promising for drug design, were examined. The UV/Vis spectrum (450-200 nm) of the compound in EtOH was measured. Full geometry optimization using density functional theory (DFT) in the B3LYP/cc-pVDZ approximation allowed the equilibrium configuration of the molecule to be determined and IR and Raman spectra to be calculated. Based on these, the experimental vibrational IR and Raman spectra were interpreted and the biological activity indices were predicted. The UV/Vis spectrum of the title compound was simulated at the time-dependent DFT/CAM-B3LYP/cc-pVDZ level with and without solvent effects and at the ab initio multi-reference perturbation theory XMCQDPT2 level. The UV/Vis spectrum that was simulated using the multi-reference XMCQDPT2 approximation agreed very successfully with the experimental data, in contrast to the single-reference DFT method. This was probably a consequence of intramolecular charge transfer.

  11. Spectral Analysis of 3-(Adamantan-1-yl)-4-Ethyl-1-[(4-Phenylpiperazin-1-yl) Methyl]-1H-1,2,4-Triazole-5(4H)-Thione

    Science.gov (United States)

    Mindarava, Y. L.; Shundalau, M. B.; Al-Wahaibi, L. H.; El-Emam, A. A.; Matsukovich, A. S.; Gaponenko, S. V.

    2018-05-01

    Vibrational IR (3200-650 cm-1) and Raman spectra (3200-150 cm-1) of adamantane-containing 3-(adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione, which is promising for drug design, were examined. The UV/Vis spectrum (450-200 nm) of the compound in EtOH was measured. Full geometry optimization using density functional theory (DFT) in the B3LYP/cc-pVDZ approximation allowed the equilibrium configuration of the molecule to be determined and IR and Raman spectra to be calculated. Based on these, the experimental vibrational IR and Raman spectra were interpreted and the biological activity indices were predicted. The UV/Vis spectrum of the title compound was simulated at the time-dependent DFT/CAM-B3LYP/cc-pVDZ level with and without solvent effects and at the ab initio multi-reference perturbation theory XMCQDPT2 level. The UV/Vis spectrum that was simulated using the multi-reference XMCQDPT2 approximation agreed very successfully with the experimental data, in contrast to the single-reference DFT method. This was probably a consequence of intramolecular charge transfer.

  12. Anticonvulsant actions of LY 367385 ((+)-2-methyl-4-carboxyphenylglycine) and AIDA ((RS)-1-aminoindan-1,5-dicarboxylic acid).

    Science.gov (United States)

    Chapman, A G; Yip, P K; Yap, J S; Quinn, L P; Tang, E; Harris, J R; Meldrum, B S

    1999-02-26

    We have studied the effects in three rodent models of generalised convulsive or absence epilepsy of two antagonists of group I metabotropic glutamate receptors that are selective for the mGlu1 receptor. LY 367385 ((+)-2-methyl-4-carboxyphenylglycine) and AIDA ((RS)-1-aminoindan-1,5-dicarboxylic acid) have been administered intracerebroventricularly (i.c.v.) to DBA/2 mice and lethargic mice (lh/lh), and focally into the inferior colliculus of genetically epilepsy prone rats (GEPR). In DBA/2 mice both compounds produce a rapid, transient suppression of sound-induced clonic seizures (LY 367385: ED50 = 12 nmol, i.c.v., 5 min; AIDA: ED50 = 79 nmol, i.c.v., 15 min). In lethargic mice both compounds significantly reduce the incidence of spontaneous spike and wave discharges on the electroencephalogram, from 150 min after the administration of AIDA, 500 nmol, i.c.v., and from 30 to >150 min after the administration of LY 367385, 250 nmol, i.c.v. LY 367385, 50 nmol, suppresses spontaneous spike and wave discharges from 30 to 60 min. In genetically epilepsy prone rats both compounds reduce sound-induced clonic seizures. LY 367385, 160 nmol bilaterally, fully suppresses clonic seizures after 2-4 h. AIDA is fully effective 30 min after 100 nmol bilaterally. It is concluded that antagonists of mGlu1 receptors are potential anticonvulsant agents and that activation of mGlu1 receptors probably contributes to a variety of epileptic syndromes.

  13. High Charge-Carrier Mobility of 2.5 cm(2) V(-1) s(-1) from a Water-Borne Colloid of a Polymeric Semiconductor via Smart Surfactant Engineering.

    Science.gov (United States)

    Cho, Jangwhan; Cheon, Kwang Hee; Ahn, Hyungju; Park, Kwang Hun; Kwon, Soon-Ki; Kim, Yun-Hi; Chung, Dae Sung

    2015-10-07

    Semiconducting polymer nanoparticles dispersed in water are synthesized by a novel method utilizing non-ionic surfactants. By developing a smart surfactant engineering technique involving a selective post-removal process of surfactants, an unprecedentedly high mobility of 2.51 cm(2) V(-1) s(-1) from a water-borne colloid is demonstrated for the first time. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Reactions of POxCly- ions with O2(a 1[Delta]g), H2O, and Cl2 at 298 K

    Science.gov (United States)

    Midey, Anthony J.; Dotan, Itzhak; Viggiano, A. A.

    2008-06-01

    The rate constants and product branching ratios for the reactions of phosphorus oxychloride anions, POxCly- for x = 1-2 and y = 1-3, with O2(a 1[Delta]g), Cl2, and H2O have been measured in a selected ion flow tube (SIFT) at 298 K. A mixture of O2(a 1[Delta]g) in O2 has been produced using a recently designed chemical singlet oxygen generator (sparger) with an emission detection scheme adopted previously in our laboratory. The experiments continue a series of investigations into the oxidation reactions of POxCly- ions, searching for pathways to the terminal PO2- and PO3- ions observed in combustion chemistry with POCl3 present. None of the POxCly- ions react with H2O or O2(a 1[Delta]g). The O2(a 1[Delta]g) rate constants have a limit of <1 × 10-11 cm3 s-1, except for PO2Cl- where a limit of <5 × 10-11 cm3 s-1 has been determined. The H2O rate constants have limits of <1 × 10-11 cm3 s-1. All of the POxCly- ions react with Cl2, excluding PO3- and PO2Cl2-. Depending on the reactant ion, Cl-, Cl2- or PO2Cl2- product ions form.

  15. Temperature dependence of third order ion molecule reactions. The reaction H+3 + 2H2 = H+5 + H2

    International Nuclear Information System (INIS)

    Hiraoka, K.; Kebarle, P.

    1975-01-01

    The rate constants k 1 for Reaction (1): H + 3 +2H 2 = H + 5 +H 2 were measured in the temperature range 100--300 degreeK. The temperature dependence of k 1 has the form k 1 proportionalT - /subn/, where n=2.3. Pierce and Porter have reported a much stronger negative temperature dependence with n=4.6. The difference arises from a determination of k 1 at 300 degreeK obtained by Arifov and used by Porter. The present k 1 (300 degreeK) =9times10 -30 (cm 6 molecules -2 center-dotsec -1 ). This is more than an order of magnitude larger than the Arifov value. The temperature dependence of third body dependent association reactions like (1) is examined on the basis of the energy transfer theory and the recently proposed trimolecular complex transition state theory by Meot-Ner, Solomon, Field, and Gershinowitz. The temperature dependence of the rate constant for the reverse reaction (-1) is obtained from k 1 and the previously determined temperature dependence of the equilibria (1). k/sub -//sub 1/ gives a good straight line Arrhenius plot leading to k/sub -//sub 1/ =8.7times10 -6 exp(-8.4/RT) cm 3 molecules -1 center-dotsec -1 . The activation energy is in kcal/mole. The preexponential factor is much larger than the rate constant for Langevin collisions. This is typical for pyrolysis of ions involving second order activation

  16. Prostaglandin E2 EP2 and EP4 receptor activation mediates cAMP-dependent hyperpolarization and exocytosis of renin in juxtaglomerular cells

    DEFF Research Database (Denmark)

    Friis, Ulla Glenert; Stubbe, Jane; Uhrenholt, Torben Rene

    2005-01-01

    /l), AE1-259-01 (1 nmol/l), EP4-selective agonist AE1-329 (1 nmol/l), and IP agonist iloprost (1 micromol/l) significantly increased C(m) mediated by PKA. The EP4 antagonist AE3-208 (10 nmol/l) blocked the effect of EP4 agonist but did not alter the response to PGE(2). Application of both EP4 antagonist....... The membrane potential hyperpolarized significantly after PGE(2), butaprost, AE1-329 and AE1-259 and outward current was augmented in a PKA-dependent fashion. PGE(2)-stimulated outward current, but not C(m) change, was abolished by the BK(Ca) channel inhibitor iberiotoxin (300 nmol/l). EP2 and EP4 m......RNA was detected in sampled JG cells, and the preglomerular and glomerular vasculature was immunopositive for EP4. Thus IP, EP2, and EP4 receptors are associated with JG cells, and their activation leads to rapid PKA-mediated exocytotic fusion and release of renin granules....

  17. Tritiated-water detection with a 2D(γ,n)1H monitor

    International Nuclear Information System (INIS)

    Winn, W.G.; Baumann, N.P.

    Tritiated process water is monitored by detecting the D 2 O component via the 2 D(γ,n) 1 H reaction. A probe containing a 1 to 7 mCi 24 Na (15 h) γ-source and six 3 He neutron detectors produces and monitors the 2 D(γ,n) 1 H reaction. A variety of probe configurations were examined for D 2 O detection sensitivity. The corresponding detection limits range from 6 to 280 μL for D 2 O droplets and 1 to 13 μL/cm for D 2 O streams, when 10-minute neutron counting with a 1 mCi γ-source is used. Results from two field applications illustrate the utility of the monitor

  18. Conductivity And Thermal Stability of Solid Acid Composites CsH2PO4 /NaH2PO4/ SiO2

    International Nuclear Information System (INIS)

    Norsyahida Mohammad; Abu Bakar Mohamad; Abu Bakar Mohamad; Abdul Amir Hassan Kadhum

    2016-01-01

    Solid acid composites CsH 2 PO 4 / NaH 2 PO 4 / SiO 2 with different mole ratios of CsH 2 PO 4 and NaH 2 PO 4 to SiO 2 were synthesized and characterized. Preliminary infrared measurements of CsH 2 PO 4 and its composites indicated that hydrogen bonds breaking and formation were detected between 1710 to 2710 cm -1 , while the rotation of phosphate tetrahedral anions occurred between 900 and 1200 cm -1 . The superprotonic transition of CsH 2 PO 4 / NaH 2 PO 4 / SiO 2 composite was identified at superprotonic temperatures between 230 and 260 degree Celcius, under atmospheric pressure. This study reveals higher conductivity values for composites with higher CsH 2 PO 4 (CDP) content. Solid acid composite CDP 613 appeared as the composite with the highest conductivity that is 7.2x10 -3 S cm -1 at 230 degree Celcius. Thermal stability of the solid acid composites such as temperature of dehydration, melting and decomposition were investigated. The addition of NaH 2 PO 4 lowers the dehydration temperature of the solid acid composites. (author)

  19. Energy loss of carbon transmitted 1-MeV H2+ ions

    International Nuclear Information System (INIS)

    Fritz, M.; Kimura, K.; Susuki, Y.; Mannami, M.

    1994-01-01

    Energy losses of 1-MeV H 2 + ions passing through carbon foils of 2-8 μg/cm 2 thickness have been measured and show besides the linear increase with target thickness a 0.4 keV offset. The stopping power derived from the observed energy losses is 1.15 times as large as the sum of the stopping powers for two single H + of the same velocity. Calculations of the stopping powers for H 2 + ions and diprotons, using first Born approximation, indicate that the H 2 + ions lose the binding electron upon entrance into the foil, traverse the target as diprotons and recapture target electrons at the exit surface, a scenario also supported by the 0.4 keV offset at zero thickness. (author)

  20. The 590 cm-1 B_1g feature in underdoped Bi_2Sr_2CaCu_2O_8+δ

    Science.gov (United States)

    Hewitt, Kevin C.; Wang, N. L.; Irwin, J. C.; Pooke, D. M.; Pantoja, A. E.; Trodahl, H. J.

    1999-05-01

    Raman scattering studies have been performed on underdoped Bi_2Sr_2CaCu_2O_8+δ. In single crystals underdoped by oxygen removal, a 590 cm-1 peak is observed in the B_1g spectrum. The feature is observed to soften in frequency by 3.8% with isotopic exchange of ^16O by ^18O. In contrast, the 590 cm-1 peak is not observed in crystals underdoped by Y substitution which suggests that it corresponds to a disorder induced vibrational mode. We have also found that underdoping leads to a depletion of low energy spectral weight from regions of the Fermi surface located near the Brillouin zone axes.

  1. On the 590cm-1 B1g feature in underdoped Bi2Sr2CaCu2O8+delta

    OpenAIRE

    Hewitt, Kevin C.; Wang, N. L.; Irwin, J. C.; Pooke, D. M.; Pantoja, A. E.; Trodahl, H. J.

    1999-01-01

    Raman scattering studies have been performed on underdoped Bi2Sr2CaCu2O8+delta. In single crystals underdoped by oxygen removal, a 590 cm-1 peak is observed in the B1g spectrum. The feature is observed to soften in frequency by 3.8% with isotopic exchange for 16-O by 18-O. In contrast, the 590cm-1 peak is not observed in crystals underdoped by Y substitution which suggests that it correspond to a disorder induced vibrational mode. We have also found that underdoping leads to a depletion of lo...

  2. BROAD N{sub 2}H{sup +} EMISSION TOWARD THE PROTOSTELLAR SHOCK L1157-B1

    Energy Technology Data Exchange (ETDEWEB)

    Codella, C.; Fontani, F.; Gómez-Ruiz, A.; Vasta, M. [INAF, Osservatorio Astrofisico di Arcetri, Largo Enrico Fermi 5, I-50125 Firenze (Italy); Viti, S. [Department of Physics and Astronomy, University College London, London (United Kingdom); Ceccarelli, C.; Lefloch, B.; Podio, L. [UJF-Grenoble 1/CNRS-INSU, Institut de Planétologie et d' Astrophysique de Grenoble (IPAG) UMR 5274, Grenoble, F-38041 (France); Benedettini, M.; Busquet, G. [INAF, Istituto di Astrofisica e Planetologia Spaziali, via Fosso del Cavaliere 100, 00133 Roma (Italy); Caselli, P., E-mail: codella@rcetri.astro.it [School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2013-10-10

    We present the first detection of N{sub 2}H{sup +} toward a low-mass protostellar outflow, namely, the L1157-B1 shock, at ∼0.1 pc from the protostellar cocoon. The detection was obtained with the IRAM 30 m antenna. We observed emission at 93 GHz due to the J = 1-0 hyperfine lines. Analysis of this emission coupled with HIFI CHESS multiline CO observations leads to the conclusion that the observed N{sub 2}H{sup +}(1-0) line originated from the dense (≥10{sup 5} cm{sup –3}) gas associated with the large (20''-25'') cavities opened by the protostellar wind. We find an N{sub 2}H{sup +} column density of a few 10{sup 12} cm{sup –2} corresponding to an abundance of (2-8) × 10{sup –9}. The N{sub 2}H{sup +} abundance can be matched by a model of quiescent gas evolved for more than 10{sup 4} yr, i.e., for more than the shock kinematical age (≅2000 yr). Modeling of C-shocks confirms that the abundance of N{sub 2}H{sup +} is not increased by the passage of the shock. In summary, N{sub 2}H{sup +} is a fossil record of the pre-shock gas, formed when the density of the gas was around 10{sup 4} cm{sup –3}, and then further compressed and accelerated by the shock.

  3. Biting deterrence and insecticidal activity of hydrazide-hydrazones and their corresponding 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazoles against Aedes aegypti.

    Science.gov (United States)

    Tabanca, Nurhayat; Ali, Abbas; Bernier, Ulrich R; Khan, Ikhlas A; Kocyigit-Kaymakcioglu, Bedia; Oruç-Emre, Emine E; Unsalan, Seda; Rollas, Sevim

    2013-06-01

    Taking into account the improvement in insecticidal activity by the inclusion of fluorine in the hydrazone moiety, the authors synthesized new 4-fluorobenzoic acid hydrazides and 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazoles, substituting a phenyl group or a heteroaryl ring carrying one or two atoms of F, Cl and Br, and investigated their biting deterrent and larvicidal activities against Aedes aegypti for the first time. The compound 3-acetyl-5-(4-fluorophenyl)-2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,3,4-oxadiazole (17) produced the highest biting deterrent activity (BDI = 1.025) against Ae. Aegypti, followed by 4-fluorobenzoic acid [(phenyl)methylene] hydrazide (1). These activity results were similar to those of N,N-diethyl-meta-toluamide (DEET), which showed a proportion not biting of 0.8-0.92. When compounds 1 and 17 were tested on cloth worn on human volunteers, compound 1 was not repellent for some volunteers until present in excess of 500 nmol cm(-2) , while compound 17 was not repellent at the highest concentration tested (1685 nmol cm(-2) ). In the larvicidal screening bioassays, only compounds 10, 11, 12 and 17 showed 100% mortality at the highest screening dose of 100 ppm against Ae. aegypti larvae. Compounds 11 and 12 with LD50 values of 24.1 and 30.9 ppm showed significantly higher mortality than 10 (80.3 ppm) and 17 (58.7 ppm) at 24-h post-treatment. The insecticidal and biting deterrent activities were correlated with the presence of a halogen atom on the phenyl or heteroaryl substituent of the hydrazone moiety. © 2012 Society of Chemical Industry.

  4. Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

    Science.gov (United States)

    Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

    1994-05-01

    Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

  5. Self-Driven Photoelectrochemical Splitting of H2S for S and H2 Recovery and Simultaneous Electricity Generation.

    Science.gov (United States)

    Luo, Tao; Bai, Jing; Li, Jinhua; Zeng, Qingyi; Ji, Youzhi; Qiao, Li; Li, Xiaoyan; Zhou, Baoxue

    2017-11-07

    A novel, facile self-driven photoelectrocatalytic (PEC) system was established for highly selective and efficient recovery of H 2 S and simultaneous electricity production. The key ideas were the self-bias function between a WO 3 photoanode and a Si/PVC photocathode due to their mismatched Fermi levels and the special cyclic redox reaction mechanism of I - /I 3 - . Under solar light, the system facilitated the separation of holes in the photoanode and electrons in the photocathode, which then generated electricity. Cyclic redox reactions were produced in the photoanode region as follows: I - was transformed into I 3 - by photoholes or hydroxyl radicals, H 2 S was oxidized to S by I 3 - , and I 3 - was then reduced to I - . Meanwhile, H + was efficiently converted to H 2 in the photocathode region. In the system, H 2 S was uniquely oxidized to sulfur but not to polysulfide (S x n- ) because of the mild oxidation capacity of I 3 - . High recovery rates for S and H 2 were obtained up to ∼1.04 mg h -1 cm -1 and ∼0.75 mL h -1 cm -1 , respectively, suggesting that H 2 S was completely converted into H 2 and S. In addition, the output power density of the system reached ∼0.11 mW cm -2 . The proposed PEC-H 2 S system provides a self-sustaining, energy-saving method for simultaneous H 2 S treatment and energy recovery.

  6. Ionization rates and harmonic generation for H interacting with laser pulses of λ = 1064 nm and peak intensities in the range 2 x 1013-2 x 1014 W cm-2

    International Nuclear Information System (INIS)

    Dionissopoulou, S.; Mercouris, Th.; Nicolaides, C.A.

    1996-01-01

    We applied the state-specific expansion approach (SSEA) to the solution of the time-dependent Schroedinger equation describing the interaction of H with laser pulses of λ = 1064 nm and peak intensities I 0 = 2 x 10 13 , 6 x 10 13 , 1 x 10 14 and 2 x 10 14 W cm -2 , and computed ionization rates and high-order harmonic spectra. For the first three cases, our results are compared with those of Krause and co-workers (Krause J L, Schafer K J and Kulander K C 1992 Phys. Rev. A45 3998) who employed the grid method. Whereas for I 0 = 1 x 10 14 W cm -2 convergence difficulties were reported for the grid method, no such difficulties were found for the SSEA. Given this fact, we tackled the problem of computing the harmonic spectrum for I 0 = 2 x 10 14 W cm -2 . This spectrum shows a cut-off at the 65th harmonic (3.17 U p + I p ) and an extended plateau containing low-intensity harmonics up to the 181st. The ionization rate is 1.7 x 10 13 s -1 while at the end of the pulse 19.5% of the system is in the 1s ground state and 2.6% in the bound states up to n = 20, l 19. (author)

  7. Positronium formation and hydrated positron reactions in H2O, D2O, 1.74 M PPS/H2O and 1.74 M PPS/D2O solutions of Cl−, Br− and I−

    DEFF Research Database (Denmark)

    Mogensen, O. E.; Pedersen, Niels Jørgen

    1986-01-01

    Angular correlation of annihilation photons were measured for H2O, D2O, 1.74 M PPS/H2O and 1.74 M PPS/D2O solutions of Cl−, Br− and I−. The three components of the angular correlation spectra for D2O and H2O were nearly identical in shape. The positronium (Ps) yields for the H2O and D2O solutions...... before annihilation (lifetime 400 ps) was determined for the three halides in the four solvents. Simple kinetic equations (“trapping model”) with time dependent rate constant, solved analytically, could explain the [X−, e+] formation in H2O fairly well for concentrations below 0.03 M X−, if a diffusion...... controlled reaction with positron diffusion constant D = 5 × 10−5 cm2/s and reaction radius R = 1 nm were assumed. The three halides gave roughly identical [X−, e+] formation below 0.03 M X−. The difference between the four solutions could be explained partly only in terms of viscosity change for the model...

  8. Nano-Mole Scale Side-Chain Signal Assignment by 1H-Detected Protein Solid-State NMR by Ultra-Fast Magic-Angle Spinning and Stereo-Array Isotope Labeling

    KAUST Repository

    Wang, Songlin; Parthasarathy, Sudhakar; Nishiyama, Yusuke; Endo, Yuki; Nemoto, Takahiro; Yamauchi, Kazuo; Asakura, Tetsuo; Takeda, Mitsuhiro; Terauchi, Tsutomu; Kainosho, Masatsune; Ishii, Yoshitaka

    2015-01-01

    We present a general approach in 1H-detected 13C solid-state NMR (SSNMR) for side-chain signal assignments of 10-50 nmol quantities of proteins using a combination of a high magnetic field, ultra-fast magic-angle spinning (MAS) at ~80 kHz, and stereo-array-isotope-labeled (SAIL) proteins [Kainosho M. et al., Nature 440, 52–57, 2006]. First, we demonstrate that 1H indirect detection improves the sensitivity and resolution of 13C SSNMR of SAIL proteins for side-chain assignments in the ultra-fast MAS condition. 1H-detected SSNMR was performed for micro-crystalline ubiquitin (~55 nmol or ~0.5mg) that was SAIL-labeled at seven isoleucine (Ile) residues. Sensitivity was dramatically improved by 1H-detected 2D 1H/13C SSNMR by factors of 5.4-9.7 and 2.1-5.0, respectively, over 13C-detected 2D 1H/13C SSNMR and 1D 13C CPMAS, demonstrating that 2D 1H-detected SSNMR offers not only additional resolution but also sensitivity advantage over 1D 13C detection for the first time. High 1H resolution for the SAIL-labeled side-chain residues offered reasonable resolution even in the 2D data. A 1H-detected 3D 13C/13C/1H experiment on SAIL-ubiquitin provided nearly complete 1H and 13C assignments for seven Ile residues only within ~2.5 h. The results demonstrate the feasibility of side-chain signal assignment in this approach for as little as 10 nmol of a protein sample within ~3 days. The approach is likely applicable to a variety of proteins of biological interest without any requirements of highly efficient protein expression systems.

  9. Nano-Mole Scale Side-Chain Signal Assignment by 1H-Detected Protein Solid-State NMR by Ultra-Fast Magic-Angle Spinning and Stereo-Array Isotope Labeling

    KAUST Repository

    Wang, Songlin

    2015-04-09

    We present a general approach in 1H-detected 13C solid-state NMR (SSNMR) for side-chain signal assignments of 10-50 nmol quantities of proteins using a combination of a high magnetic field, ultra-fast magic-angle spinning (MAS) at ~80 kHz, and stereo-array-isotope-labeled (SAIL) proteins [Kainosho M. et al., Nature 440, 52–57, 2006]. First, we demonstrate that 1H indirect detection improves the sensitivity and resolution of 13C SSNMR of SAIL proteins for side-chain assignments in the ultra-fast MAS condition. 1H-detected SSNMR was performed for micro-crystalline ubiquitin (~55 nmol or ~0.5mg) that was SAIL-labeled at seven isoleucine (Ile) residues. Sensitivity was dramatically improved by 1H-detected 2D 1H/13C SSNMR by factors of 5.4-9.7 and 2.1-5.0, respectively, over 13C-detected 2D 1H/13C SSNMR and 1D 13C CPMAS, demonstrating that 2D 1H-detected SSNMR offers not only additional resolution but also sensitivity advantage over 1D 13C detection for the first time. High 1H resolution for the SAIL-labeled side-chain residues offered reasonable resolution even in the 2D data. A 1H-detected 3D 13C/13C/1H experiment on SAIL-ubiquitin provided nearly complete 1H and 13C assignments for seven Ile residues only within ~2.5 h. The results demonstrate the feasibility of side-chain signal assignment in this approach for as little as 10 nmol of a protein sample within ~3 days. The approach is likely applicable to a variety of proteins of biological interest without any requirements of highly efficient protein expression systems.

  10. Measuring patchy reionization with kSZ2-21 cm correlations

    Science.gov (United States)

    Ma, Q.; Helgason, K.; Komatsu, E.; Ciardi, B.; Ferrara, A.

    2018-05-01

    We study cross-correlations of the kinetic Sunyaev-Zel'dovich effect (kSZ) and 21 cm signals during the epoch of reionization (EoR) to measure the effects of patchy reionisation. Since the kSZ effect is proportional to the line-of-sight velocity, the kSZ-21 cm cross correlation suffers from cancellation at small angular scales. We thus focus on the correlation between the kSZ-squared field (kSZ2) and 21 cm signals. When the global ionization fraction is low (xe ≲ 0.7), the kSZ2 fluctuation is dominated by rare ionized bubbles, which leads to an anticorrelation with the 21 cm signal. When 0.8 ≲ xe primary cosmic microwave background (CMB) anisotropy. The expected signal-to-noise ratios for a ˜10-h integration of upcoming Square Kilometre Array data cross-correlated with maps from the current generation of CMB observatories with 3.4μK arcmin noise and 1.7 arcmin beam over 100 deg2 are 51, 60, and 37 for xe = 0.2, 0.5, and 0.9, respectively.

  11. DEMONSTRATION OF THE NEXT-GENERATION CAUSTIC-SIDE SOLVENT EXTRACTION SOLVENT WITH 2-CM CENTRIFUGAL CONTRACTORS USING TANK 49H WASTE AND WASTE SIMULANT

    Energy Technology Data Exchange (ETDEWEB)

    Pierce, R.; Peters, T.; Crowder, M.; Caldwell, T.; Pak, D; Fink, S.; Blessing, R.; Washington, A.

    2011-09-27

    Researchers successfully demonstrated the chemistry and process equipment of the Caustic-Side Solvent Extraction (CSSX) flowsheet using MaxCalix for the decontamination of high level waste (HLW). The demonstration was completed using a 12-stage, 2-cm centrifugal contactor apparatus at the Savannah River National Laboratory (SRNL). This represents the first CSSX process demonstration of the MaxCalix solvent system with Savannah River Site (SRS) HLW. Two tests lasting 24 and 27 hours processed non-radioactive simulated Tank 49H waste and actual Tank 49H HLW, respectively. Conclusions from this work include the following. The CSSX process is capable of reducing {sup 137}Cs in high level radioactive waste by a factor of more than 40,000 using five extraction, two scrub, and five strip stages. Tests demonstrated extraction and strip section stage efficiencies of greater than 93% for the Tank 49H waste test and greater than 88% for the simulant waste test. During a test with HLW, researchers processed 39 liters of Tank 49H solution and the waste raffinate had an average decontamination factor (DF) of 6.78E+04, with a maximum of 1.08E+05. A simulant waste solution ({approx}34.5 liters) with an initial Cs concentration of 83.1 mg/L was processed and had an average DF greater than 5.9E+03, with a maximum DF of greater than 6.6E+03. The difference may be attributable to differences in contactor stage efficiencies. Test results showed the solvent can be stripped of cesium and recycled for {approx}25 solvent turnovers without the occurrence of any measurable solvent degradation or negative effects from minor components. Based on the performance of the 12-stage 2-cm apparatus with the Tank 49H HLW, the projected DF for MCU with seven extraction, two scrub, and seven strip stages operating at a nominal efficiency of 90% is {approx}388,000. At 95% stage efficiency, the DF in MCU would be {approx}3.2 million. Carryover of organic solvent in aqueous streams (and aqueous in organic

  12. Bioelectrochemical Haber-Bosch Process: An Ammonia-Producing H2 /N2 Fuel Cell.

    Science.gov (United States)

    Milton, Ross D; Cai, Rong; Abdellaoui, Sofiene; Leech, Dónal; De Lacey, Antonio L; Pita, Marcos; Minteer, Shelley D

    2017-03-01

    Nitrogenases are the only enzymes known to reduce molecular nitrogen (N 2 ) to ammonia (NH 3 ). By using methyl viologen (N,N'-dimethyl-4,4'-bipyridinium) to shuttle electrons to nitrogenase, N 2 reduction to NH 3 can be mediated at an electrode surface. The coupling of this nitrogenase cathode with a bioanode that utilizes the enzyme hydrogenase to oxidize molecular hydrogen (H 2 ) results in an enzymatic fuel cell (EFC) that is able to produce NH 3 from H 2 and N 2 while simultaneously producing an electrical current. To demonstrate this, a charge of 60 mC was passed across H 2  /N 2 EFCs, which resulted in the formation of 286 nmol NH 3  mg -1 MoFe protein, corresponding to a Faradaic efficiency of 26.4 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Carma 1 CM Line Survey of Orion-Kl

    Science.gov (United States)

    Friedel, Douglas; Looney, Leslie; Corby, Joanna F.; Remijan, Anthony

    2015-06-01

    We have conducted the first 1 cm (27-35 GHz) line survey of the Orion-KL region by an array. With a primary beam of ˜4.5 arcminutes, the survey looks at a region ˜166,000 AU (0.56 pc) across. The data have a resolution of ˜6 arcseconds on the sky and 97.6 kHz(1.07-0.84 km/s) in frequency. This region of frequency space is much less crowded than at 3mm or 1mm frequencies and contains the fundamental transitions of several complex molecular species, allowing us to probe the largest extent of the molecular emission. We present the initial results, and comparison to 3mm results, from several species including, dimethyl ether [(CH_3)_2O], ethyl cyanide [C_2H_5CN], acetone [(CH_3)_2CO], SO, and SO_2.

  14. Synthesis of (R)-5-(Di[2,3-3H2]propylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one-([3H]U-86170) and (R)-5-([2,3-3H2]propylamino)-5,6-dihydro-4H-imidazo(4,5,1-ij) quinolin-2(1H)-one ([3H]U-91356)

    International Nuclear Information System (INIS)

    Moon, M.W.; Hsi, R.S.P.

    1992-01-01

    (R)-5-(diallylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one (12b) was prepared in 9% overall yield from 3-aminoquinoline. Reaction of 12b in ethyl acetate with tritium gas in presence of a 5% platinum on carbon catalyst afforded a mixture of (R)-5-(di[2,3- 3 H 2 ]propylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]-quinolin-2(1H)-one ([ 3 H]U-86170, 69 Ci/mmol) and (R)-5-([2,3- 3 H 2 ]-propylamino)5,6-dihydro-4H-imidazo-[4,5,1-ij]quinolin-2(1H)-one ( [ 3 H]U-91356, 34 Ci/mmol) which was separated by preparative reverse-phase chromatography. U-86170 and U-91356 are potent dopamine D2 agonists. The labelled compounds are useful for drug disposition studies. [ 3 H]U-86170 is also useful as a dopamine D2 agonist radioligand for receptor binding studies. (author)

  15. Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: Symmetric (ν1) and antisymmetric (ν6) NH stretching modes in ND2H2+

    Science.gov (United States)

    Chang, Chih-Hsuan; Nesbitt, David J.

    2018-01-01

    Sub-Doppler infrared rovibrational transitions in the symmetric (v1) and antisymmetric (v6) NH stretch modes of the isotopomerically substituted ND2H2+ ammonium cation are reported for the first time in a slit jet discharge supersonic expansion spectrometer. The partially H/D substituted cation is generated by selective isotopic exchange of ND3 with H2O to form NHD2, followed by protonation with H3+ formed in the NHD2/H2/Ne slit-jet discharge expansion environment. Rotational assignment for ND2H2+ is confirmed rigorously by four line ground state combination differences, which agree to be within the sub-Doppler precision in the slit jet (˜9 MHz). Observation of both b-type (ν1) and c-type (ν6) bands enables high precision determination of the ground and vibrationally excited state rotational constants. From an asymmetric top Watson Hamiltonian analysis, the ground state constants are found to be A″ = 4.856 75(4) cm-1, B″ = 3.968 29(4) cm-1, and C″ = 3.446 67(6) cm-1, with band origins at 3297.5440(1) and 3337.9050(1) cm-1 for the v1 and v6 modes, respectively. This work permits prediction of precision microwave/mm-wave transitions, which should be invaluable in facilitating ongoing spectroscopic searches for partially deuterated ammonium cations in interstellar clouds and star-forming regions of the interstellar medium.

  16. Comparative pathology of pigs infected with Korean H1N1, H1N2, or H3N2 swine influenza A viruses.

    Science.gov (United States)

    Lyoo, Kwang-Soo; Kim, Jeong-Ki; Jung, Kwonil; Kang, Bo-Kyu; Song, Daesub

    2014-09-24

    The predominant subtypes of swine influenza A virus (SIV) in Korea swine population are H1N1, H1N2, and H3N2. The viruses are genetically close to the classical U.S. H1N1 and triple-reassortant H1N2 and H3N2 viruses, respectively. Comparative pathogenesis caused by Korean H1N1, H1N2, and H3N2 SIV was evaluated in this study. The H3N2 infected pigs had severe scores of gross and histopathological lesions at post-inoculation days (PID) 2, and this then progressively decreased. Both the H1N1 and H1N2 infected pigs lacked gross lesions at PID 2, but they showed moderate to severe pneumonia on PID 4, 7 and 14. The pigs infected with H1N1 had significant scores of gross and histopathological lesions when compared with the other pigs infected with H1N2, H3N2, and mock at PID 14. Mean SIV antigen-positive scores were rarely detected for pigs infected with H1N2 and H3N2 from PID 7, whereas a significantly increased amount of viral antigens were found in the bronchioles and alveolar epithelium of the H1N1infected pigs at PID 14. We demonstrated that Korean SIV subtypes had different pulmonary pathologic patterns. The Korean H3N2 rapidly induced acute lung lesions such as broncho-interstitial pneumonia, while the Korean H1N1 showed longer course of infection as compared to other strains.

  17. Two-dimensional H2O-Cl2 and H2O-Br2 potential surfaces: an ab initio study of ground and valence excited electronic states.

    Science.gov (United States)

    Hernandez-Lamoneda, Ramón; Rosas, Victor Hugo Uc; Uruchurtu, Margarita I Bernal; Halberstadt, Nadine; Janda, Kenneth C

    2008-01-10

    All electron ab initio calculations for the interaction of H2O with Cl2 and Br2 are reported for the ground state and the lowest triplet and singlet Pi excited states as a function of both the X-X and O-X bond lengths (X = Cl or Br). For the ground state and lowest triplet state, the calculations are performed with the coupled cluster singles, doubles, and perturbative triple excitation level of correlation using an augmented triple-zeta basis set. For the 1Pi state the multireference average quadratic coupled cluster technique was employed. For several points on the potential, the calculations were repeated with the augmented quadruple-zeta basis set. The ground-state well depths were found to be 917 and 1,183 cm-1 for Cl2 and Br2, respectively, with the triple-zeta basis set, and they increased to 982 and 1,273 cm-1 for the quadruple-zeta basis set. At the geometry of the ground-state minimum, the lowest energy state corresponding to the unperturbed 1Pi states of the halogens increases in energy by 637 and 733 cm-1, respectively, relative to the ground-state dissociation limit of the H2O-X2 complex. Adding the attractive ground-state interaction energy to that of the repulsive excited state predicts a blue-shift, relative to that of the free halogen molecules, of approximately 1,600 cm-1 for H2O-Cl2 and approximately 2,000 cm-1 for H2O-Br2. These vertical blue-shifts for the dimers are greater than the shift of the band maximum upon solvation of either halogen in liquid water.

  18. Comparative pathology of pigs infected with Korean H1N1, H1N2, or H3N2 swine influenza A viruses

    OpenAIRE

    Lyoo, Kwang-Soo; Kim, Jeong-Ki; Jung, Kwonil; Kang, Bo-Kyu; Song, Daesub

    2014-01-01

    Background The predominant subtypes of swine influenza A virus (SIV) in Korea swine population are H1N1, H1N2, and H3N2. The viruses are genetically close to the classical U.S. H1N1 and triple-reassortant H1N2 and H3N2 viruses, respectively. Comparative pathogenesis caused by Korean H1N1, H1N2, and H3N2 SIV was evaluated in this study. Findings The H3N2 infected pigs had severe scores of gross and histopathological lesions at post-inoculation days (PID) 2, and this then progressively decrease...

  19. Small nodules (1-2 cm) in liver cirrhosis: Characterization with contrast-enhanced ultrasound

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Hyun-Jung [Department of Medical Imaging, Toronto General Hospital, University of Toronto, 585 University Avenue, Toronto, Ontario M5G 2N2 (Canada); Kim, Tae Kyoung [Department of Medical Imaging, Toronto General Hospital, University of Toronto, 585 University Avenue, Toronto, Ontario M5G 2N2 (Canada)], E-mail: taekyoung.kim@uhn.on.ca; Wilson, Stephanie R. [Department of Medical Imaging, Toronto General Hospital, University of Toronto, 585 University Avenue, Toronto, Ontario M5G 2N2 (Canada)

    2009-12-15

    Objective: To determine the diagnostic efficacy of arterial phase contrast-enhanced ultrasound (CEUS) for characterizing small hepatic nodules (1-2 cm) in patients with high-risk for hepatocellular carcinoma (HCC). Materials and methods: Over 12 months, CEUS was performed in 59 patients at high-risk for HCC with small hepatic nodules (1-2 cm; mean, 1.5 cm). Based only on arterial phase (<45 s) vascular intensity and pattern, lesions were prospectively diagnosed as HCC if there was hypervascularity without known features of hemangioma. The diagnosis of HCC was made regardless of the presence or absence of washout. Verification of diagnosis was made by liver transplantation (n = 13), biopsy (n = 12), resection (n = 3) or clinical and imaging follow-up for at least 12 months (n = 31). Results: At of the time of CEUS, the 59 nodules were diagnosed as HCC in 26 and benign lesions in 33, including 20 regenerative/dysplastic nodules (RN/DN), 11 hemangiomas, and 2 focal fat sparing. All 26 nodules with arterial phase hypervascularity without hemangioma-like features were HCC. However, CEUS misdiagnosed HCC as RN/DN in 4 cases with arterial iso- (n = 3) or hypovascularity (n = 1). CEUS correctly diagnosed all 11 hemangiomas. The sensitivity, specificity, and accuracy of CEUS for diagnosing HCC were 86.7, 100, and 93.2%. Conclusions: Arterial phase vascular intensity and pattern of CEUS are highly accurate for the diagnosis of small (1-2 cm) HCC and hemangioma in liver cirrhosis. On CEUS, arterial phase hypervascularity without a hemangioma-pattern alone may be sufficient for diagnosis of small HCC. Infrequent iso/hypovascular HCC may erroneously suggest RN/DN necessitating biopsy or close follow-up.

  20. The 1943 K emission spectrum of H216O between 6600 and 7050 cm-1

    Science.gov (United States)

    Czinki, Eszter; Furtenbacher, Tibor; Császár, Attila G.; Eckhardt, André K.; Mellau, Georg Ch.

    2018-02-01

    An emission spectrum of H216O has been recorded, with Doppler-limited resolution, at 1943 K using Hot Gas Molecular Emission (HOTGAME) spectroscopy. The wavenumber range covered is 6600 to 7050 cm-1. This work reports the analysis and subsequent assignment of close to 3700 H216O transitions out of a total of more than 6700 measured peaks. The analysis is based on the Measured Active Rotational-Vibrational Energy Levels (MARVEL) energy levels of H216O determined in 2013 and emission line intensities obtained from accurate variational nuclear-motion computations. The analysis of the spectrum yields about 1300 transitions not measured previously and 23 experimentally previously unidentified rovibrational energy levels. The accuracy of the line positions and intensities used in the analysis was improved with the spectrum deconvolution software SyMath via creating a peak list corresponding to the dense emission spectrum. The extensive list of labeled transitions and the new experimental energy levels obtained are deposited in the Supplementary Material of this article as well as in the ReSpecTh (http://www.respecth.hu) information system.

  1. Initial study of optimal single-voxel 1H-MR spectroscopy parameters on femoral bone marrow

    International Nuclear Information System (INIS)

    Gao Zhenhua; Meng Quanfei; Zhou Chunxiang; Lin Erjian; Deng Demao

    2007-01-01

    Objective: To choose proper proton magnetic resonance spectroscopy ( 1 H-MRS) parameters to fit for practical femoral marrow cavity and to produce short-timed, well-repeated and excellent 1 H-MRS images. Methods: The tentative study of 1 H-MRS on the normal femoral bone marrow in 26 volunteers was performed with a 1.5 T MR after the informed consent. The single-voxel spectroscopy and stimulated echo acquisition mode were used for 1 H-MRS collection. 1 H-MRS parameters for 12 volunteers were 128 acquisitions, 1 cm x 1 cm x 1 cm volume of interest (VOI) size and repeatedly 2-3 times within the same location. 1 H-MRS parameters for another 14 volunteers were different numbers of acquisition (128 and 256 times, respectively) and different VOl sizes (2 cm x2 cm x2 cm and 1 cm x 1 cm x 1 cm, respectively). Results: For 1 H-MRS with 1 cm x 1 cm x 1 cm size of VOI and 128 times of acquisition with the full width half max of water ≤8-12 Hz, the base-line was steady and the signal-noise ratio was high up to 11.31. 1 H-MRS was different in the different femoral locations showing the maximum peak sites at near 0.90 ppm( x 10 -6 ) or 1.65 ppm, but 1 H-MRS within the same location was always same or similar with different VOI sizes (1 cm x 1 cm x 1 cm or 2 cm x 2 cm x 2 cm) or different numbers of acquisition(128 or 256 times). 1 H-MRS acquisition time was not related with the size of VOI but with the numbers of acquisition. 128 and 256 times of acquisition cost 199 s and 391 s, respectively. Conclusion: With the technique of small size of VOI(1 cm x 1 cm x 1 cm) and decreased numbers of acquisition (128 times), it is propable to get well-repeated and excellent 1 H-MRS within less time. It is also more practical for clinics to achieve 1 H-MRS of the femoral marrow with the proper technique. (authors)

  2. Operation of low-noise single-gap RPC modules exposed to ionisation rates up to 1 kHz/cm$^2$

    CERN Document Server

    Cwiok, M; Dominik, Wojciech; Górski, M; Królikowski, J; 10.1016/j.nima.2004.06.123

    2004-01-01

    Two single gap medium-size RPC modules, made of bakelite plates of very good mechanical quality of the surface and having initial volume resistivity of 1 multiplied by 10**1**0 omegacm, were tested in the Gamma Irradiation Facility at CERN at ionisation rates up to 1 kHz/cm **3. The internal surfaces facing the gas volume of one RPC module were cladded with a thin layer of linseed oil varnish for comparison of oiled and non-oiled RPC operation. The results refer to the gas mixture of C//2H//2F //4/isobutane (97:3) with SF//6 addition below 1%. The single gap modules exhibited full detection efficiency plateau for the high voltage range of about 1 kV at full intensity of gamma rays. Good timing characteristics allowed to reach 95% efficiency at fully opened irradiation source with time window of 20 ns. The intrinsic noise rate for a non-oiled and an oiled RPC gap was, respectively, below 5 and 1 Hz/cm**2 at full efficiency over 1 k V voltage range.

  3. CdBr2 complexes of 1,2-bis-[2-(5-H/methyl/chloro/nitro)-1H-benzimidazolyl]-1,2-ethanediols

    International Nuclear Information System (INIS)

    Aydin Tavman

    2005-01-01

    The complexes of 1,2-bis-[2-(5-H/methyl/chloro/nitro)-1H-benzimidazolyl]-1,2-ethanediols with CdBr 2 were synthesized and characterized by elemental analysis, molar conductivity, IR and NMR spectra. The ligands act as a bidentate only through both oxygen atoms of hydroxyl groups in complexes with ratio M:L=1:1 [ru

  4. Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.

    Science.gov (United States)

    Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu

    2016-03-21

    The inner C-benzyl- and C-o-xylyl (or m-xylyl, p-xylyl)-substituted cobalt(ii) complexes of a 2-N-substituted N-confused porphyrin were synthesized from the reaction of 2-NC3H5NCTPPH (1) and CoCl2·6H2O in toluene (or o-xylene, m-xylene, p-xylene). The crystal structures of diamagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-hydrogen-21-carbaporphyrinato-N,N',N'')zinc(ii) [Zn(2-NC3H5-21-H-NCTPP)Cl; 3 ] and paramagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-benzyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-CH2C6H5NCTPP)Cl; 7], and chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-Y-xylyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-Y-CH2C6H4CH3NCTPP)Cl] [Y = o (8), m (9), p (10)] were determined. The coordination sphere around the Zn(2+) (or Co(2+)) ion in 3 (or 7-10) is a distorted tetrahedron (DT). The free energy of activation at the coalescence temperature Tc for the exchange of phenyl ortho protons o-H (26) with o-H (22) in 3 in a CDCl3 solvent is found to be ΔG = 61.4 kJ mol(-1) through (1)H NMR temperature-dependent measurements. The axial zero-field splitting parameter |D| was found to vary from 35.6 cm(-1) in 7 (or 30.7 cm(-1) in 8) to 42.0 cm(-1) in 9 and 46.9 cm(-1) in 10 through paramagnetic susceptibility measurements. The magnitude of |D| can be related to the coordination sphere at the cobalt sites.

  5. Direct measurements of rate constants for the reactions of CH3 radicals with C2H6, C2H4, and C2H2 at high temperatures.

    Science.gov (United States)

    Peukert, S L; Labbe, N J; Sivaramakrishnan, R; Michael, J V

    2013-10-10

    The shock tube technique has been used to study the reactions CH3 + C2H6 → C2H4 + CH4 + H (1), CH3 + C2H4 → Products + H (2), and CH3 + C2H2 → Products + H (3). Biacetyl, (CH3CO)2, was used as a clean high temperature thermal source for CH3-radicals for all the three reactions studied in this work. For reaction 1, the experiments span a T-range of 1153 K ≤ T ≤ 1297 K, at P ~ 0.4 bar. The experiments on reaction 2 cover a T-range of 1176 K ≤ T ≤ 1366 K, at P ~ 1.0 bar, and those on reaction 3 a T-range of 1127 K ≤ T ≤ 1346 K, at P ~ 1.0 bar. Reflected shock tube experiments performed on reactions 1-3, monitored the formation of H-atoms with H-atom Atomic Resonance Absorption Spectrometric (ARAS). Fits to the H-atom temporal profiles using an assembled kinetics model were used to make determinations for k1, k2, and k3. In the case of C2H6, the measurements of [H]-atoms were used to derive direct high-temperature rate constants, k1, that can be represented by the Arrhenius equation k1(T) = 5.41 × 10(-12) exp(-6043 K/T) cm(3) molecules(-1) s(-1) (1153 K ≤ T ≤ 1297 K) for the only bimolecular process that occurs, H-atom abstraction. TST calculations based on ab initio properties calculated at the CCSD(T)/CBS//M06-2X/cc-pVTZ level of theory show excellent agreement, within ±20%, of the measured rate constants. For the reaction of CH3 with C2H4, the present rate constant results, k2', refer to the sum of rate constants, k(2b) + k(2c), from two competing processes, addition-elimination, and the direct abstraction CH3 + C2H4 → C3H6 + H (2b) and CH3 + C2H4 → C2H2 + H + CH4 (2c). Experimental rate constants for k2' can be represented by the Arrhenius equation k2'(T) = 2.18 × 10(-10) exp(-11830 K/T) cm(3) molecules(-1) s(-1) (1176 K ≤ T ≤ 1366 K). The present results are in excellent agreement with recent theoretical predictions. The present study provides the only direct measurement for the high-temperature rate constants for these channels

  6. Vibrational spectroscopy of NO^+(H_2O)_n: Evidence for the intracluster reaction NO^+(H_2O)_n→H_3O^+(H_2O)_(n-2)(HONO) at n≥4

    OpenAIRE

    Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

    1994-01-01

    Infrared spectra of mass‐selected clusters NO^+(H_2O)_n for n=1 to 5 were recorded from 2700 to 3800 cm^(−1) by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second‐order Møller–Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H_2O...

  7. Study of the Nafion quantity effect in membrane and electrodes assemblies (MEAs) of 50 cm{sup 2} used in type proton exchange membrane (PEM) fuel cell operating with H{sub 2}/Air; Estudo do efeito da quantidade de Nafion em MEAs de 50 cm{sup 2} utilizadas em celula a combustivel tipo PEM operando com H{sub 2}/ar

    Energy Technology Data Exchange (ETDEWEB)

    Profeti, Demetrius; Colmati, Flavio; Carlindo, Adao A.J.; Paganin, Valdecir A.; Gonzalez, Ernesto R.; Ticianelli, Edson A. [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Inst. de Quimica]. E-mail: dprofeti@iqsc.usp.br

    2008-07-01

    The performance of a proton exchange membrane fuel cell (PEMFC) was investigated with the aim at characterizing the effects of the Nafion. content on the scale-up of the electrodes from 5 to 50 cm{sup 2}. It is observed that a diminution of the single cell performance occurred when the electrode area is increased from 5 to 50 cm{sup 2}. The tests carried out with different Nafion. contents, and fuel cell and humidifiers at the same temperature (T{sub cell}=T{sub H2}=T{sub air}=70 deg C) showed a slightly decrease of the fuel cell performance compared to the tests performed at different temperatures (T{sub cell}=70 deg C, T{sub H2}=85 deg C, T{sub air}=75 deg C). In the study of the variation on the Nafion. contents, the higher performance up to a current density of 0.8 A cm-2 is obtained with the 35.5 wt.% Nafion.. On the other hand, at higher current densities values, the performance of the fuel cells is very similar for the 31.0, 35.5 and 39.4 wt.% Nafion contents. (author)

  8. Hydrated aluminophosphate (AlPO/sub 4/. 1. 5H/sub 2/O) with PO/sub 4/, AlO/sub 4/ and AlO/sub 4/(H/sub 2/O)/sub 2/ groups and encapsulated water

    Energy Technology Data Exchange (ETDEWEB)

    Pluth, J.J.; Smith, J.V.

    1986-09-15

    Aluminium phosphate hydrate, AlPO/sub 4/ /sub ./ 1.5H/sub 2/O, M/sub r/=148.98, orthorhombic, Pbca, a=19.3525(13), b=9.7272(7), c=9.7621(8) A, V=1837.7(1) A/sup 3/, Z=16, D/sub x/=2.15 g cm/sup -3/, lambda(CuK..cap alpha..)=1.5418 A, ..mu..=68.2 cm/sup -1/, F(000)=1200, Tproportional to 295 K, R=0.033 for 1530 diffractions. A 4-connected framework contains PO/sub 4/ tetrahedra interposed between AlO/sub 4/ tetrahedra and AlO/sub 4/(H/sub 2/O)/sub 2/ octahedra at the nodes of cross-linked alternate 6/sup 3/ and 4.8/sup 2/ nets. A two-dimensional channel system, limited by 8-rings, lies between adjacent 6/sup 3/ nets. One H/sub 2/O of each octahedron lies in a 6-ring, and the other forms a continuous chain with a third H/sub 2/O which is held in place only by hydrogen bonds.

  9. Synthesis of 9H-Indeno [1, 2-b] Pyrazine and 11H-Indeno [1, 2-b ...

    African Journals Online (AJOL)

    NICO

    Synthesis of 9H-Indeno [1, 2-b] Pyrazine and. 11H-Indeno [1, 2-b] Quinoxaline Derivatives in. One-step Reaction from 2-Bromo-4-chloro-1-indanone. S. Jasouri1,2, J. Khalafy1,*, M. Badali2 and R.H. Prager3. 1Department of Chemistry, Urmia University, Urmia 57154, Iran. 2Daana Pharmaceutical Co., P.O. Box 5181, Tabriz ...

  10. Oxygen isotope systematics of chondrules in the Murchison CM2 chondrite and implications for the CO-CM relationship

    Science.gov (United States)

    Chaumard, Noël; Defouilloy, Céline; Kita, Noriko T.

    2018-05-01

    High-precision oxygen three-isotope measurements of olivine and pyroxene were performed on 29 chondrules in the Murchison CM2 chondrite by secondary ion mass spectrometry (SIMS). The oxygen isotope ratios of analyzed chondrules all plot very close to the primitive chondrule minerals (PCM) line. In each of 24 chondrules, the olivine and/or pyroxene grains analyzed show indistinguishable oxygen isotope ratios. Exceptions are minor occurrences of isotopically distinguished relict olivine grains, which were found in nine chondrules. The isotope homogeneity of these phenocrysts is consistent with a co-magmatic crystallization of olivine and pyroxene from the final chondrule melts and a significant oxygen isotope exchange between the ambient gas and the melts. Homogeneous type I chondrules with Mg#'s of 98.9-99.5 have host chondrule Δ17O values ranging from -6.0‰ to -4.1‰, with one exception (Δ17O: -1.2‰; Mg#: 99.6). Homogeneous chondrules with Mg#'s poor H2O ice (∼0.3-0.4× the CI dust; Δ17O > 0‰) and at dust enrichments of ∼300-2000×. Regarding the Mg# and oxygen isotope ratios, the chondrule populations sampled by CM and CO chondrites are similar and indistinguishable. The similarity of these 16O-rich components in CO and CM chondrites is also supported by the common Fe/Mn ratio of olivine in type II chondrules. Although they accreted similar high-temperature silicates, CO chondrites are anhydrous compared to CM chondrites, suggesting they derived from different parent bodies formed inside and outside the snow line, respectively. If chondrules in CO and CM chondrites formed at the same disk locations but the CM parent body accreted later than the CO parent body, the snow line might have crossed the common chondrule-forming region towards the Sun between the time of the CO and CM parent bodies accretion.

  11. Antigenic variation of H1N1, H1N2 and H3N2 swine influenza viruses in Japan and Vietnam.

    Science.gov (United States)

    Takemae, Nobuhiro; Nguyen, Tung; Ngo, Long Thanh; Hiromoto, Yasuaki; Uchida, Yuko; Pham, Vu Phong; Kageyama, Tsutomu; Kasuo, Shizuko; Shimada, Shinichi; Yamashita, Yasutaka; Goto, Kaoru; Kubo, Hideyuki; Le, Vu Tri; Van Vo, Hung; Do, Hoa Thi; Nguyen, Dang Hoang; Hayashi, Tsuyoshi; Matsuu, Aya; Saito, Takehiko

    2013-04-01

    The antigenicity of the influenza A virus hemagglutinin is responsible for vaccine efficacy in protecting pigs against swine influenza virus (SIV) infection. However, the antigenicity of SIV strains currently circulating in Japan and Vietnam has not been well characterized. We examined the antigenicity of classical H1 SIVs, pandemic A(H1N1)2009 (A(H1N1)pdm09) viruses, and seasonal human-lineage SIVs isolated in Japan and Vietnam. A hemagglutination inhibition (HI) assay was used to determine antigenic differences that differentiate the recent Japanese H1N2 and H3N2 SIVs from the H1N1 and H3N2 domestic vaccine strains. Minor antigenic variation between pig A(H1N1)pdm09 viruses was evident by HI assay using 13 mAbs raised against homologous virus. A Vietnamese H1N2 SIV, whose H1 gene originated from a human strain in the mid-2000s, reacted poorly with post-infection ferret serum against human vaccine strains from 2000-2010. These results provide useful information for selection of optimal strains for SIV vaccine production.

  12. An Optimized Synthesis, Molecular Structure and Characterization of Benzylic Derivatives of 1,2,4-Triazin-3,5(2H,4H-dione

    Directory of Open Access Journals (Sweden)

    Long-Chih Hwang

    2017-11-01

    Full Text Available 4-Benzyl-1,2,4-triazin-3,5(2H,4H-dione (3-benzyl-6-azauracil, 2, and 2,4-dibenzyl-1,2,4-triazin-3,5(2H,4H-dione (1,3-dibenzyl-6-azauracil, 3 were synthesized by the reaction of 1,2,4-triazin-3,5(2H,4H-dione (6-azauracil, 1 with benzyl bromide and potassium carbonate in dry acetone via the 18-crown-6-ether catalysis. In these reaction methods, we developed more convenient and efficient methodologies to afford compounds 2 and 3 in good yields. These compounds were characterized by 1H- and 13C-NMR, MS spectrum, IR spectroscopy and elemental analysis. The structure of 2 was verified by 2D-NMR measurements, including gHSQC and gHMBC measurements. A single-crystal X-ray diffraction experiment indicated that compound 3, with the molecular formula C17H15N3O2, crystallized from a CH3OH/CH2Cl2 diffusion solvent system in a monoclinic space group P21/c with a = 13.7844(13, b = 8.5691(8, c = 13.0527(12 Å, β = 105.961(2°, V = 1482.3(2 Å3, Z = 4, resulting in a density Dcalc of 1.314 g/cm3. The crystal structure of compound 3 is tightly stabilized by contact with five other molecules from the six short contacts formed by intermolecular C−O···H−Car, C−H···Car, and weakly π···π stacking interactions. The dihedral angle 31.90° is formed by the mean planes of the benzene rings of the N-2 and N-4 benzyl groups.

  13. Recombination of H+3 ions in the afterglow of a He-Ar-H2 plasma

    International Nuclear Information System (INIS)

    Glosik, J; Korolov, I; Plasil, R; Novotny, O; Kotrik, T; Hlavenka, P; Varju, J; Mikhailov, I A; Kokoouline, V; Greene, Chris H

    2008-01-01

    Recombination of H + 3 with electrons is studied in a low-temperature plasma containing He, H 2 and Ar at different He and H 2 densities. The effective plasma recombination rate is driven by binary, H + 3 + e - , and ternary, H + 3 + e - + He, processes with the rate coefficients 7.5 x 10 -8 cm 3 s -1 and 2.8 x 10 -25 cm 6 s -1 respectively at 260 K. We suggest that the ternary recombination involves formation of neutral highly excited Rydberg H 3 followed by an l-changing collision with He. The difference between recombination of para- and ortho-H + 3 is discussed. (fast track communication)

  14. Vibrational spectra of Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·nH2O (n = 4, 6) with a crystal structure determination of the Tutton salt Cs2Cu(SeO4)2·6H2O

    Science.gov (United States)

    Wildner, M.; Marinova, D.; Stoilova, D.

    2016-02-01

    The solubility in the three-component systems Cs2SO4-CuSO4-H2O and Cs2SeO4-CuSeO4-H2O have been studied at 25 °C. The experimental results show that double salts, Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·4H2O, crystallize from the ternary solutions within large concentration ranges. Crystals of Cs2Cu(SeO4)2·6H2O were synthesized at somewhat lower temperatures (7-8 °C). The thermal dehydration of the title compounds was studied by TG, DTA and DSC methods and the respective dehydration schemes are proposed. The calculated enthalpies of dehydration (ΔHdeh) have values of: 434.2 kJ mol-1 (Cs2Cu(SeO4)2·6H2O), 280.9 kJ mol-1 (Cs2Cu(SeO4)2·4H2O), and 420.2 kJ mol-1 (the phase transition of Cs2Cu(SO4)2·6H2O into Cs2Cu(SO4)2·H2O). The crystal structure of Cs2Cu(SeO4)2ṡ6H2O was determined from single crystal X-ray diffraction data. It belongs to the group of Tutton salts, crystallizing isotypic to the respective sulfate in a monoclinic structure which is characterized by isolated Cu(H2O)6 octahedra and SeO4 tetrahedra, interlinked by hydrogen bonds and [9]-coordinated Cs+ cations. Infrared spectra of the cesium copper compounds are presented and discussed with respect to both the normal modes of the tetrahedral ions and the water molecules. The analysis of the infrared spectra of the double compounds reveals that the distortion of the selenate tetrahedra in Cs2Cu(SeO4)2·4H2O is stronger than those in Cs2Cu(SeO4)2·6H2O in agreement with the structural data. Matrix-infrared spectroscopy was applied to confirm this claim - Δν3 for SO4 2 - ions matrix-isolated in Cs2Cu(SeO4)2·6H2O has a value of 35 cm-1 and that of the same ions included in Cs2Cu(SeO4)2·4H2O - 84 cm-1. This spectroscopic finding is due to the formation of strong covalent bands Cu-OSO3 on one hand, and on the other to the stronger deformation of the host SeO4 2 - tetrahedra in Cs2Cu(SeO4)2·4H2O as compared to those in Cs2Cu(SeO4)2·6H2O. The strength of the hydrogen bonds as deduced from the

  15. H I SHELLS AND SUPERSHELLS IN THE I-GALFA H I 21 cm LINE SURVEY. I. FAST-EXPANDING H I SHELLS ASSOCIATED WITH SUPERNOVA REMNANTS

    Energy Technology Data Exchange (ETDEWEB)

    Park, G.; Koo, B.-C. [Department of Physics and Astronomy, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of); Gibson, S. J.; Newton, J. H. [Department of Physics and Astronomy, Western Kentucky University, Bowling Green, KY 42101 (United States); Kang, J.-H.; Lane, D. C.; Douglas, K. A. [Arecibo Observatory, HC 3 Box 53995, Arecibo, PR 00612 (United States); Peek, J. E. G. [Department of Astronomy, Columbia University, New York, NY 10027 (United States); Korpela, E. J. [Space Sciences Laboratory, University of California, Berkeley, CA 94720 (United States); Heiles, C., E-mail: koo@astro.snu.ac.kr [Radio Astronomy Lab, UC Berkeley, 601 Campbell Hall, Berkeley, CA 94720 (United States)

    2013-11-01

    We search for fast-expanding H I shells associated with Galactic supernova remnants (SNRs) in the longitude range l ≈ 32° to 77° using 21 cm line data from the Inner-Galaxy Arecibo L-band Feed Array (I-GALFA) H I survey. Among the 39 known Galactic SNRs in this region, we find such H I shells in 4 SNRs: W44, G54.4-0.3, W51C, and CTB 80. All four were previously identified in low-resolution surveys, and three of those (excluding G54.4-0.3) were previously studied with the Arecibo telescope. A remarkable new result, however, is the detection of H I emission at both very high positive and negative velocities in W44 from the receding and approaching parts of the H I expanding shell, respectively. This is the first detection of both sides of an expanding shell associated with an SNR in H I 21 cm emission. The high-resolution I-GALFA survey data also reveal a prominent expanding H I shell with high circular symmetry associated with G54.4-0.3. We explore the physical characteristics of four SNRs and discuss what differentiates them from other SNRs in the survey area. We conclude that these four SNRs are likely the remnants of core-collapse supernovae interacting with a relatively dense (∼> 1 cm{sup –3}) ambient medium, and we discuss the visibility of SNRs in the H I 21 cm line.

  16. Aminosilanes derived from 1H-benzimidazole-2(3H)-thione

    International Nuclear Information System (INIS)

    Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel

    2015-01-01

    In two trimethylsilyl-substituted 1H-benzimidazole-2(3H)-thiones, noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe 3 groups form helicoidal arrangements in one, and dimerization results in the formation of R s 2 (8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings, in the second compound. Two new molecular structures, namely 1,3-bis(trimethylsilyl)-1H-benzimidazole-2(3H)-thione, C 13 H 22 N 2 SSi 2 , (2), and 1-trimethylsilyl-1H-benzimidazole-2(3H)-thione, C 10 H 14 N 2 SSi, (3), are reported. Both systems were derived from 1H-benzimidazole-2(3H)-thione. Noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe 3 groups form helicoidal arrangements in (2). Dimerization of (3) results in the formation of R 2 2 (8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings

  17. Aminosilanes derived from 1H-benzimidazole-2(3H)-thione

    Energy Technology Data Exchange (ETDEWEB)

    Palomo-Molina, Juliana [Facultad de Ciencias Químicas, Universidad de Colima, Carretera Coquimatlán-Colima, Coquimatlán Colima 28400 (Mexico); García-Báez, Efrén V. [Unidad Profesional Interdisciplinaria de Biotecnología, Instituto Politécnico Nacional, Avenida Acueducto s/n, Barrio La Laguna Ticomán, México DF 07340 (Mexico); Contreras, Rosalinda [Departamento de Química, Centro de Investigación y de Estudios Avanzados del IPN, Apartado Postal 14-740, México DF 07000 (Mexico); Barrio La Laguna Ticomán, México DF 07340 (Mexico); Pineda-Urbina, Kayim; Ramos-Organillo, Angel, E-mail: aaramos@ucol.mx [Facultad de Ciencias Químicas, Universidad de Colima, Carretera Coquimatlán-Colima, Coquimatlán Colima 28400 (Mexico)

    2015-08-12

    In two trimethylsilyl-substituted 1H-benzimidazole-2(3H)-thiones, noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe{sub 3} groups form helicoidal arrangements in one, and dimerization results in the formation of R{sub s} {sup 2}(8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings, in the second compound. Two new molecular structures, namely 1,3-bis(trimethylsilyl)-1H-benzimidazole-2(3H)-thione, C{sub 13}H{sub 22}N{sub 2}SSi{sub 2}, (2), and 1-trimethylsilyl-1H-benzimidazole-2(3H)-thione, C{sub 10}H{sub 14}N{sub 2}SSi, (3), are reported. Both systems were derived from 1H-benzimidazole-2(3H)-thione. Noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe{sub 3} groups form helicoidal arrangements in (2). Dimerization of (3) results in the formation of R{sub 2}{sup 2}(8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings.

  18. Structurally characterized 1,1,3,3-tetramethylguanidine solvated magnesium aryloxide complexes: [Mg(mu-OEt)(DBP)(H-TMG)]2, [Mg(mu-OBc)(DBP)(H-TMG)]2, [Mg(mu-TMBA)(DBP)(H-TMG)]2, [Mg(mu-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2 (H-TMG)2].

    Science.gov (United States)

    Monegan, Jessie D; Bunge, Scott D

    2009-04-06

    The synthesis and structural characterization of several 1,1,3,3-tetramethylguanidine (H-TMG) solvated magnesium aryloxide complexes are reported. Bu(2)Mg was successfully reacted with H-TMG, HOC(6)H(3)(CMe(3))(2)-2,6 (H-DBP), and either ethanol, a carboxylic acid, or diphenyl phosphate in a 1:1 ratio to yield the corresponding [Mg(mu-L)(DBP)(H-TMG)](2) where L = OCH(2)CH(3) (OEt, 1), O(2)CC(CH(3))(3) (OBc, 2), O(2)C(C(6)H(2)-2,4,6-(CH(3))(3)) (TMBA, 3), or O(2)P(OC(6)H(5))(2) (DPP, 4). Bu(2)Mg was also reacted with two equivalents of H-TMG and HOC(6)H(3)(CMe(3))-2-(CH(3))-6 (BMP) or HO-2,6-Ph(2)C(6)H(3) to yield [Mg(BMP)(2)(H-TMG)(2)] (5) and [Mg(O-2,6-Ph(2)C(6)H(3))(2)(H-TMG)(2)] (6). Compounds 1-6 were characterized by single-crystal X-ray diffraction. Polymerization of l- and rac-lactide with 1 was found to generate polylactide (PLA). A discussion concerning the relevance of compounds 2 - 4 to the structure of Mg-activated phosphatase enzymes is also provided. The bulk powders for all complexes were found to be in agreement with the crystal structures based on elemental analyses, FT-IR spectroscopy, and (1)H, (13)C and (31)P NMR studies.

  19. Ion chemistry of 1H-1,2,3-triazole.

    Science.gov (United States)

    Ichino, Takatoshi; Andrews, Django H; Rathbone, G Jeffery; Misaizu, Fuminori; Calvi, Ryan M D; Wren, Scott W; Kato, Shuji; Bierbaum, Veronica M; Lineberger, W Carl

    2008-01-17

    A combination of experimental methods, photoelectron-imaging spectroscopy, flowing afterglow-photoelectron spectroscopy and the flowing afterglow-selected ion flow tube technique, and electronic structure calculations at the B3LYP/6-311++G(d,p) level of density functional theory (DFT) have been employed to study the mechanism of the reaction of the hydroxide ion (HO-) with 1H-1,2,3-triazole. Four different product ion species have been identified experimentally, and the DFT calculations suggest that deprotonation by HO- at all sites of the triazole takes place to yield these products. Deprotonation of 1H-1,2,3-triazole at the N1-H site gives the major product ion, the 1,2,3-triazolide ion. The 335 nm photoelectron-imaging spectrum of the ion has been measured. The electron affinity (EA) of the 1,2,3-triazolyl radical has been determined to be 3.447 +/- 0.004 eV. This EA and the gas-phase acidity of 2H-1,2,3-triazole are combined in a negative ion thermochemical cycle to determine the N-H bond dissociation energy of 2H-1,2,3-triazole to be 112.2 +/- 0.6 kcal mol-1. The 363.8 nm photoelectron spectroscopic measurements have identified the other three product ions. Deprotonation of 1H-1,2,3-triazole at the C5 position initiates fragmentation of the ring structure to yield a minor product, the ketenimine anion. Another minor product, the iminodiazomethyl anion, is generated by deprotonation of 1H-1,2,3-triazole at the C4 position, followed by N1-N2 bond fission. Formation of the other minor product, the 2H-1,2,3-triazol-4-ide ion, can be rationalized by initial deprotonation of 1H-1,2,3-triazole at the N1-H site and subsequent proton exchanges within the ion-molecule complex. The EA of the 2H-1,2,3-triazol-4-yl radical is 1.865 +/- 0.004 eV.

  20. Ab initio calculations on the X (2)B1 and A (2)A1 states of AsH2, and Franck-Condon simulation, including anharmonicity, of the A(0,0,0)-X single vibronic level emission spectrum of AsH2.

    Science.gov (United States)

    Lee, Edmond P F; Mok, Daniel K W; Chau, Foo-Tim; Dyke, John M

    2010-06-21

    Restricted-spin coupled-cluster single-double plus perturbative triple excitation {RCCSD(T)} calculations were carried out on the X (2)B(1) and A (2)A(1) states of AsH(2) employing the fully relativistic small-core effective core potential (ECP10MDF) for As and basis sets of up to the augmented correlation-consistent polarized valence quintuple-zeta (aug-cc-pV5Z) quality. Minimum-energy geometrical parameters and relative electronic energies were evaluated, including contributions from extrapolation to the complete basis set limit and from outer core correlation of the As 3d(10) electrons employing additional tight 4d3f2g2h functions designed for As. In addition, simplified, explicitly correlated CCSD(T)-F12 calculations were also performed employing different atomic orbital basis sets of up to aug-cc-pVQZ quality, and associated complementary auxiliary and density-fitting basis sets. The best theoretical estimate of the relative electronic energy of the A (2)A(1) state of AsH(2) relative to the X (2)B(1) state including zero-point energy correction (T(0)) is 19,954(32) cm(-1), which agrees very well with available experimental T(0) values of 19,909.4531(18) and 19,909.4910(17) cm(-1) obtained from recent laser induced fluorescence and cavity ringdown absorption spectroscopic studies. In addition, potential energy functions (PEFs) of the X (2)B(1) and A (2)A(1) states of AsH(2) were computed at different RCCSD(T) and CCSD(T)-F12 levels. These PEFs were used in variational calculations of anharmonic vibrational wave functions, which were then utilized to calculate Franck-Condon factors (FCFs) between these two states, using a method which includes allowance for anharmonicity and Duschinsky rotation. The A(0,0,0)-X single vibronic level (SVL) emission spectrum of AsH(2) was simulated using these computed FCFs. Comparison between simulated and available experimental vibrationally resolved spectra of the A(0,0,0)-X SVL emission of AsH(2), which consist essentially of

  1. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, (1)H, (13)C NMR) investigations of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane.

    Science.gov (United States)

    Arjunan, V; Anitha, R; Devi, L; Mohan, S; Yang, Haifeng

    2015-01-25

    Aromatic epoxides are causative factors for mutagenic and carcinogenic activity of polycyclic arenes. The 1,2- or 2,3-epoxy compounds are widely used to a considerable extent in the textile, plastics, pharmaceutical, cosmetics, detergent and photochemical industries. The FTIR and FT-Raman spectra of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane are recorded in the regions 4000-400 cm(-1) and 4000-100 cm(-1), respectively. The observed fundamentals are assigned to different normal modes of vibration. The structure of the compound has been optimised with B3LYP method using 6-311++G(**) and cc-pVTZ basis sets. The IR and Raman intensities are determined. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron+nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of the compounds has been performed to indicate the presence of intramolecular charge transfer. The (1)H and (13)C NMR chemical shifts of the molecules have been analysed. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Efeitos da pressão limite (25 cmH2O e mínima de “selo” do balonete de tubos traqueais sobre a mucosa traqueal do cão Efectos de la presión limite (25 cmH2O y mínima de “sello” del balón de tubos traquéales sobre la mucosa traqueal del can Effects of tracheal tube cuff limit pressure (25 cmH2O and “seal” pressure on tracheal mucosa of dogs

    Directory of Open Access Journals (Sweden)

    Emanuel Celice Castilho

    2003-12-01

    Full Text Available JUSTIFICATIVA E OBJETIVOS: As lesões da mucosa traqueal em contato com o balonete do tubo traqueal são proporcionais à pressão exercida pelo balonete e ao tempo de exposição. O objetivo foi estudar as eventuais lesões da mucosa do segmento traqueal em contato com o balonete do tubo traqueal insuflado com volume de ar suficiente para se obter pressão de “selo” ou com a pressão limite de 25 cmH2O, abaixo da pressão crítica de 30 cm de água para produção de lesão da mucosa traqueal. MÉTODO: Dezesseis cães foram submetidos à anestesia venosa e ventilação artificial. Os cães foram distribuídos aleatoriamente em dois grupos de acordo com a pressão no balonete do tubo traqueal (Portex Blue-Line, Inglaterra: Gselo (n = 8 balonete com pressão mínima de “selo” para impedir vazamento de ar durante a respiração artificial; G25 (n = 8 balonete insuflado até obtenção da pressão de 25 cmH2O. A medida da pressão do balonete foi realizada por meio de manômetro digital no início (controle e após 60, 120 e 180 minutos. Após o sacrifício dos cães, foram feitas biópsias nas áreas da mucosa traqueal adjacentes ao balonete e ao tubo traqueal para análise à microscopia eletrônica de varredura (MEV. RESULTADOS: A pressão média do balonete em G25 manteve-se entre 24,8 e 25 cmH2O e em Gselo entre 11,9 e 12,5 cmH2O durante o experimento. As alterações à MEV foram pequenas e não significantemente diferentes nos grupos (p > 0,30, mas ocorreram lesões mais intensas nas áreas de contato da mucosa traqueal com o balonete do tubo traqueal, nos dois grupos, em relação às áreas da mucosa adjacentes ou não ao tubo traqueal (p JUSTIFICATIVA Y OBJETIVOS: Las lesiones de la mucosa traqueal en contacto con el balón del tubo traqueal son proporcionales a la presión ejercida por el balón y al tiempo de exposición. La finalidad fue estudiar las eventuales lesiones de la mucosa del segmento traqueal en contacto con el bal

  3. Seroprevalence of H1N1, H3N2 and H1N2 influenza viruses in pigs in seven European countries in 2002-2003.

    Science.gov (United States)

    Van Reeth, Kristien; Brown, Ian H; Dürrwald, Ralf; Foni, Emanuela; Labarque, Geoffrey; Lenihan, Patrick; Maldonado, Jaime; Markowska-Daniel, Iwona; Pensaert, Maurice; Pospisil, Zdenek; Koch, Guus

    2008-05-01

    Avian-like H1N1 and human-like H3N2 swine influenza viruses (SIV) have been considered widespread among pigs in Western Europe since the 1980s, and a novel H1N2 reassortant with a human-like H1 emerged in the mid 1990s. This study, which was part of the EC-funded 'European Surveillance Network for Influenza in Pigs 1', aimed to determine the seroprevalence of the H1N2 virus in different European regions and to compare the relative prevalences of each SIV between regions. Laboratories from Belgium, the Czech Republic, Germany, Italy, Ireland, Poland and Spain participated in an international serosurvey. A total of 4190 sow sera from 651 farms were collected in 2002-2003 and examined in haemagglutination inhibition tests against H1N1, H3N2 and H1N2. In Belgium, Germany, Italy and Spain seroprevalence rates to each of the three SIV subtypes were high (> or =30% of the sows seropositive) to very high (> or =50%), except for a lower H1N2 seroprevalence rate in Italy (13.8%). Most sows in these countries with high pig populations had antibodies to two or three subtypes. In Ireland, the Czech Republic and Poland, where swine farming is less intensive, H1N1 was the dominant subtype (8.0-11.7% seropositives) and H1N2 and H3N2 antibodies were rare (0-4.2% seropositives). Thus, SIV of H1N1, H3N2 and H1N2 subtype are enzootic in swine producing regions of Western Europe. In Central Europe, SIV activity is low and the circulation of H3N2 and H1N2 remains to be confirmed. The evolution and epidemiology of SIV throughout Europe is being further monitored through a second 'European Surveillance Network for Influenza in Pigs'.

  4. Quantum-tunneling isotope-exchange reaction H2+D-→HD +H-

    Science.gov (United States)

    Yuen, Chi Hong; Ayouz, Mehdi; Endres, Eric S.; Lakhamanskaya, Olga; Wester, Roland; Kokoouline, Viatcheslav

    2018-02-01

    The tunneling reaction H2+D-→HD +H- was studied in a recent experimental work at low temperatures (10, 19, and 23 K) by Endres et al. [Phys. Rev. A 95, 022706 (2017), 10.1103/PhysRevA.95.022706]. An upper limit of the rate coefficient was found to be about 10-18cm3 /s. In the present study, reaction probabilities are determined using the ABC program developed by Skouteris et al. [Comput. Phys. Commun. 133, 128 (2000), 10.1016/S0010-4655(00)00167-3]. The probabilities for ortho-H2 and para-H2 in their ground rovibrational states are obtained numerically at collision energies above 50 meV with the total angular momentum J =0 -15 and extrapolated below 50 meV using a WKB approach. Thermally averaged rate coefficients for ortho- and para-H2 are obtained; the largest one, for ortho-H2, is about 3.1 ×10-20cm3 /s, which agrees with the experimental results.

  5. Caffeine raises the serum melatonin level in healthy subjects: an indication of melatonin metabolism by cytochrome P450(CYP)1A2.

    Science.gov (United States)

    Ursing, C; Wikner, J; Brismar, K; Röjdmark, S

    2003-05-01

    Caffeine is metabolized in the liver by cytochrome P450(CYP)1A2. Recent findings imply that this enzyme may also be of importance for the metabolism of human melatonin (MT). If caffeine and MT are metabolized by the same enzyme, one may expect to find different serum MT levels after ingestion of coffee compared with placebo. Although coffee is consumed by people all over the world, few studies have focused on whether caffeine actually affects serum MT levels in normal subjects. We decided to study that particular topic. For that purpose 12 healthy individuals were tested on two occasions, one week apart. On one of these occasions they were given a capsule containing 200 mg caffeine in the evening. On the other, they received placebo. The experimental order was randomized. Serum MT levels were determined every second hour between 22:00 h and 08:00 h, and the melatonin areas under the curve (MT-AUCs) were calculated. After caffeine the serum MT level rose from 0.09 +/- 0.03 nmol/l at 22:00 h to 0.48 +/- 0.07 nmol/l at 04:00 h. The corresponding rise after placebo was less prominent (from 0.06 +/- 0.01 to 0.35 +/- 0.06 nmol/l). This was reflected by the MT-AUC which was 32% larger after ingestion of caffeine compared with placebo (MT-AUC(caffeine) 3.16 +/- 0.44 nmol/l x h vs MT-AUC(placebo) 2.39 +/- 0.40 nmol/l x h; p coffee, augments the nocturnal serum MT level, which in turn supports the notion that cytochrome P450(CYP)1A2 is involved in the hepatic metabolism of human MT.

  6. Rhizosphere acidification of faba bean, soybean and maize

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, L.L. [College of Resources and Environmental Sciences, China Agricultural University, Key Laboratory of Plant and Soil Interactions, Ministry of Education, Beijing, 100094 (China); Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences, Peking Union Medical College, Beijing, 100094 (China); Cao, J. [School of Life Science, Key Laboratory of Arid and Grassland Ecology, Lanzhou University, Lanzhou 730000 (China); Zhang, F.S. [College of Resources and Environmental Sciences, China Agricultural University, Key Laboratory of Plant and Soil Interactions, Ministry of Education, Beijing, 100094 (China); Li, L., E-mail: lilong@cau.edu.cn [College of Resources and Environmental Sciences, China Agricultural University, Key Laboratory of Plant and Soil Interactions, Ministry of Education, Beijing, 100094 (China)

    2009-07-01

    Interspecific facilitation on phosphorus uptake was observed in faba bean/maize intercropping systems in previous studies. The mechanism behind this, however, remained unknown. Under nitrate supply, the difference in rhizosphere acidification potential was studied by directly measuring pH of the solution and by visualizing and quantifying proton efflux of roots between faba bean (Vicia faba L. cv. Lincan No.5), soybean (Glycine max L. cv. Zhonghuang No. 17) and maize (Zea mays L. cv. Zhongdan No.2) in monoculture and intercrop, supplied without or with 0.2 mmol L{sup -1} P as KH{sub 2}PO{sub 4}. The pH of the nutrient solution grown faba bean was lower than initial pH of 6.0 from day 1 to day 22 under P deficiency, whereas the pH of the solution with maize was declined from day 13 after treatment. Growing soybean increased solution pH irrespective of P supply. Under P deficiency, the proton efflux of faba bean both total (315.25 nmol h{sup -1} plant{sup -1}) and specific proton efflux (0.47 nmol h{sup -1} cm{sup -1}) was greater than that those of soybean (21.80 nmol h{sup -1} plant{sup -1} and 0.05 nmol h{sup -1} cm{sup -1}, respectively). Faba bean had much more ability of rhizosphere acidification than soybean and maize. The result can explain partly why faba bean utilizes sparingly soluble P more effectively than soybean and maize do, and has an important implication in understanding the mechanism behind interspecific facilitation on P uptake by intercropped species.

  7. Absorption spectrum and absorption cross sections of the 2ν1 band of HO2 between 20 and 760 Torr air in the range 6636 and 6639 cm-1

    Science.gov (United States)

    Assaf, Emmanuel; Liu, Lu; Schoemaecker, Coralie; Fittschen, Christa

    2018-05-01

    The absorption spectrum of HO2 radicals has been measured in the range 6636-6639 cm-1 at several pressures between 20 and 760 Torr of air. Absolute absorption cross sections of the strongest line at around 6638.2 cm-1 have been determined from kinetic measurements, taking advantage of the well known rate constant of the self-reaction. Peak absorption cross sections of 22.6, 19.5, 14.4, 7.88, 5.12 and 3.23 × 10-20 cm2 were obtained at 20, 50, 100, 200, 400 and 760 Torr, respectively. By fitting these data, an empirical expression has been obtained for the absorption cross section of HO2 in the range 20-760 Torr air: σ6638.2cm-1 = 1.18 × 10-20 + (2.64 × 10-19 × (1-exp (-63.1/p (Torr))) cm2.

  8. Thermal stability of polyoxometalate compound of Keggin K8[2-SiW11O39]∙nH2O supported with SiO2

    Directory of Open Access Journals (Sweden)

    Yunita Sari M A

    2017-06-01

    Full Text Available Synthesis through sol-gel method and characterization of polyoxometalate compound of K8[b2-SiW11O39]∙nH2O supported with SiO2 have been done. The functional groups of polyoxometalate compound  was characterized by FT-IR spectrophotometer for the fungtional groups and the degree’s of crystalinity  using XRD. The acidity of K8[b2-SiW11O39]∙nH2O/SiO2 was determined qualitative analysis using ammonia and pyridine adsorption and the quantitative analysis using potentiometric titration method. The results of FT-IR spectrum of K8[b2-SiW11O39]∙nH2O appeared at  wavenumber 987.55 cm-1 (W=O, 864.11 cm-1 (W-Oe-W, 756.1 cm-1 (W-Oc-W, 3425.58 cm-1 (O-H, respectively and spectrum of  K8[b2-SiW11O39]SiO2 appeared at wavenumber  956.69 cm-1 (W=O, 864.11 cm-1 (W-Oe-W, 3448.72 cm-1 (O-H, respectively. The diffraction of XRD pattern of K8[b2-SiW11O39]∙nH2O and K8[b2-SiW11O39]∙nH2O/SiO2 compounds show high crystalinity. The acidic properties showed K8[b2-SiW11O39]∙nH2O/SiO2 more acidic compared to K8[b2-The SiW11O39]∙nH2O. The qualitative analysis showed pyridine compound adsorbed more of polyoxometalate compound of K8[b2-SiW11O39]∙nH2O/SiO2. Analysis of stability showed that the K8[b2-SiW11O39]∙nH2O/SiO2 at temperature 500°C has structural changes compare to 200-400oC which was indicated from vibration at wavenumber 800-1000 cm-1. Keywords : K8[b2-SiW11O39]∙nH2O, polyoxometalate, SiO2.

  9. Electronic excitation in collisions of H+ and H with N2

    International Nuclear Information System (INIS)

    Birely, J.H.

    1974-01-01

    The 200-500 nm radiation excited by collisions of a beam of 1.5-25 keV H + or H with N 2 has been studied under thin-target conditions with a viewing geometry chosen to minimize polarization effects. For both H + and H impact, the N 2 + (B 2 Σsub(u)sup(+)-X 2 Σsub(g)sup(+)) first negative bands are the most intense spectral features in this wavelength range. As expected from consideration of electron spin conservation, the probability of excitation of the N 2 (C 3 PIsub(u)-B 3 PIsub(g)) second positive bands by H impact greatly exceeds that for H + bombardment. Relative emission cross sections for the 0-0 bands of the first negative system at 391.5 nm and the second positive system at 337.1 nm were determined and made absolute via normalization to measurements reported at higher energies by previous workers. Cross sections for formation of N 2 + B 2 Σsub(u)sup(+) and N 2 C 3 PIsub(u) in the v'=0 vibrational level were derived from the measured emission cross sections and known transition probabilities. A maximum in the cross section for formation of N 2 + B 2 Σsub(u')sup(+), v'=0 of 9.7x10 -17 cm 2 at 10 keV was found for H + impact, while for H, the cross section for this process rises steadily with increasing collision energy until reaching a nearly constant value of 2.9x10 -17 cm 2 in the 15-25 keV range. The fraction of the total N 2 + yield that is formed in the B state is about 0.05 to 0.08 in the energy range studied. For formation of N 2 C 3 PIsub(u) with v'=0, the cross section has maximum value of 1.24x10 -17 cm 2 at 5 keV. At H atom energies below 7 keV, exchange excitation of N 2 to the C 3 PIsub(u) state is more probable than ionization to yield N 2 + in the B state while, at higher energies, ionization to yield the B state is the more probable process

  10. Synthesis of 1-(2,3-dihydroxypropyl)-2-nitro-1H-imidazole-2-14C and N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-YL-2-14C)acetamide

    International Nuclear Information System (INIS)

    Fong, M.T.; Leaffer, M.A.

    1986-01-01

    We have prepared the 14 C-labeled analogs of NSC 261036, 1-(2,3-dihydroxypropyl)-2-nitro-1H-imidazole-2- 14 C, and NSC 301467, N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl-2- 14 C) acetamide, for pharmacological, drug distribution, and mechanisms of action studies. The latter is an analog designed for lower toxicity and improved properties. The former is a metabolite of, and appears to be less toxic than, misonidazole. (author)

  11. Effects of proton irradiation and temperature on 1 ohm-cm and 10 ohm-cm silicon solar cells

    Science.gov (United States)

    Nicoletta, C. A.

    1973-01-01

    The 1 ohm-cm and 10 ohm-cm silicon solar cells were exposed to 1.0 MeV protons at a fixed flux of 10 to the 9th power P/sq cm-sec and fluences of 10 to the 10th power, 10 to the 11th power, 10 to the 12th power and 3 X 10 to the 12th power P/sq cm. I-V curves of the cells were made at room temperature, 65 C and 165 C after each irradiation. A value of 139.5 mw/sq cm was taken as AMO incident energy rate per unit area. Degradation occurred for both uncovered 1 ohm-cm and 10 ohm-cm cells. Efficiencies are generally higher than those of comparable U.S. cells tested earlier. Damage (loss in maximum power efficiency) with proton fluence is somewhat higher for 10 ohm-cm cells, measured at the three temperatures, for fluences above 2 X 10 to the 11th power P/sq cm. Cell efficiency, as expected, changes drastically with temperature.

  12. Effects of subacute ruminal acidosis and low feed intake on short-chain fatty acid transporters and flux pathways in Holstein steers.

    Science.gov (United States)

    Laarman, A H; Pederzolli, R-L A; Wood, K M; Penner, G B; McBride, B W

    2016-09-01

    The objective of this study was to investigate the role of protein-mediated transport pathways for short-chain fatty acid flux across the ruminal epithelium, using subacute ruminal acidosis (SARA) and feed restriction as models. Twenty-one Holstein steers (216.8 ± 31.4 kg BW) were individually housed and fed a total mixed ration (TMR) with a 50:50 forage:concentrate ad libitum for 5 d. After the 5 d diet adjustment period, calves were assigned 1 of 3 treatments: control (CTRL) calves were fed the TMR ad libitum on d 1, subacute ruminal acidosis calves were given 25% of their ad libitum DMI on d 1 and then given a barley grain challenge at 30% of ad libitum DMI on d2 (ACID) calves were given 25% of their ad libitum DMI on d 1 and then given a barley grain challenge at 30% of ad libitum DMI on d 2, and feed restriction (FR) calves were given 25% of their ad libitum DMI for 5 d. Reticuloruminal pH was continuously measured during the entire study. At the end of the study, rumen tissue was harvested and acetate and butyrate flux were measured. Selective inhibitors were used to differentiate total flux (TOTAL), protein-mediated flux (PMF), and passive diffusion flux (PDF). The duration that rumen pH was calves compared with CTRL and FR calves (57 ± 90 vs. 519.71 ± 90 vs. 30 ± 90 min/d for CTRL, ACID, and FR, respectively; < 0.01). Total acetate flux was greater in FR than in CTRL (630.6 ± 38.9 vs. 421.1 ± 41.4 nmol/cm × h, respectively; < 0.01), but no difference was observed between CTRL and ACID (421.1 ± 41.4 vs. 455.4 ± 38.9 nmol/cm × h, respectively). Also, total butyrate flux was greater in FR than in CTRL (1,241.9 ± 94.8 vs. 625.5 ± 86.3 nmol/cm × h, respectively; < 0.01), but no difference was detected between CTRL and ACID (625.5 ± 86.3 vs. 716.7 ± 81.0 nmol/cm × h, respectively). For butyrate flux, PMF was greater for FR than for CTRL (479.21 ± 103.9 vs. 99.9 ± 86.3 nmol/cm × h, respectively; < 0.01), but no difference was observed between

  13. Consequence of dopamine D2 receptor blockade on the hyperphagic effect induced by cannabinoid CB1 and CB2 receptors in layers.

    Science.gov (United States)

    Khodadadi, M; Zendehdel, M; Baghbanzadeh, A; Babapour, V

    2017-10-01

    1. Endocannabinoids (ECBs) and their receptors play a regulatory function on several physiological processes such as feed-intake behaviour, mainly in the brain. This study was carried out in order to investigate the effects of the dopaminergic D1 and D2 receptors on CB1/CB2 ECB receptor-induced hyperphagia in 3-h feed-deprived neonatal layer chickens. 2. A total of 8 experiments were designed to explore the interplay of these two modulatory systems on feed intake in neonatal chickens. In Experiment 1, chickens were intracerebroventricular (ICV) injected with control solution, l-DOPA (levo-dihydroxyphenylalanine as precursor of dopamine; 125 nmol), 2-AG (2-arachidonoylglycerol as CB 1 receptor agonist; 2 µg) and co-administration of l-DOPA (125 nmol) plus 2-AG (2 µg). Experiments 2-4 were similar to Experiment 1 except birds were injected with either 6-OHDA (6-hydroxydopamine as dopamine synthesis inhibitor; 150 nmol), SCH23390 (D1 receptor antagonist; 5 nmol) and AMI-193 (D2 receptor antagonist; 5 nmol) instead of l-DOPA, respectively. Additionally, Experiments 5-8 followed the previous ones using the same dose of l-DOPA, 6-OHDA and dopamine antagonists except that birds were injected with CB65 (CB2 receptor agonist; 5 µg) instead of 2-AG. Coadministrations were at the same dose for each experiment. Cumulative feed intakes were measured until 120 min after each injection. 3. ICV administration of 6-OHDA and AMI-193 significantly attenuated 2-AG-induced hyperphagia. Interestingly, the hyperphagic effect of CB65 was significantly attenuated by administration of l-DOPA, whereas the administration of 6-OHDA and AMI-193 together amplified the hyperphagic effect of CB65. 4. It was concluded that cannabinoid-induced feeding behaviour is probably modulated by dopamine receptors in neonatal layer-type chickens. It seems that their interaction may be mediated by the D2-dopamine receptor.

  14. Pulsed WIP electron gun. Final report: design phase 1 x 70 cm cooled WIP electron gun, 1 December 1978--2 February 1979

    International Nuclear Information System (INIS)

    Wakalopulos, G.; Gresko, L.

    1979-01-01

    Presented here are design criteria for a full scale (70 cm) WIP electron gun system capable of long run operation with the following specifications: foil area approx. 70 x 1 cm, electron beam current density approx. 1 A/cm 2 , pulse length 2 , voltage -150 kV, voltage droop < 10%, Rep rate approx. 10 KHz, power approx. 20 kW, run time approx. 30 min, and jitter approx. 10 μs

  15. Diastereoisomers of 2-benzyl-2, 3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol: potential anti-inflammatory agents.

    Science.gov (United States)

    Sheridan, Helen; Walsh, John J; Cogan, Carina; Jordan, Michael; McCabe, Tom; Passante, Egle; Frankish, Neil H

    2009-10-15

    The synthesis and biological activity of the novel diastereoisomers of 2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol is reported. The 2,2-coupled indane dimers were synthesised by coupling of the silyl enol ether of 1-indanone with the dimethyl ketal of 2-indanone. The coupled product was directly alkylated to give the racemic ketone which was reduced to the diastereoisomeric alcohols. The alcohols were separated and their relative stereochemistry was established by X-ray crystallography. These molecules demonstrate significant anti-inflammatory activity in vivo and in vitro and may represent a new class of anti-inflammatory agent.

  16. Anticonvulsant activity of a mGlu(4alpha) receptor selective agonist, (1S,3R,4S)-1-aminocyclopentane-1,2,4-tricarboxylic acid.

    Science.gov (United States)

    Chapman, A G; Talebi, A; Yip, P K; Meldrum, B S

    2001-07-20

    The metabotropic Group III agonist, (1S,3R,4S)-1-aminocyclopentane-1,2,4-tricarboxylic acid (ACPT-1), selective for the mGlu(4alpha) receptor, suppresses sound-induced seizures in DBA/2 mice following its intracerebroventricular (i.c.v.) administration (ED(50) 5.6 [2.9-10.7], nmol i.c.v., 15 min, clonic phase) and in genetically epilepsy-prone (GEP) rats following focal administration into the inferior colliculus (ED(50) 0.08 [0.01-0.50], nmol, 60 min, clonic phase). ACPT-1 also protects against clonic seizures induced in DBA/2 mice by the Group I agonist, (RS)-3,5-dihydroxyphenylglycine (3,5-DHPG) (ED(50) 0.60 [0.29-1.2], nmol i.c.v.) and by the Group III antagonist, (RS)-alpha-methylserine-O-phosphate (MSOP) (ED(50) 49.3 [37.9-64.1], nmol i.c.v.). Another Group III agonist, (RS)-4-phosphonophenyl-glycine (PPG), preferentially activating the mGlu(8) receptor, previously shown to protect against sound-induced seizures in DBA/2 mice and GEP rats, also protects against seizures induced in DBA/2 by 3,5-DHPG (ED(50) 3.7 [2.4-5.7], nmol i.c.v.) and by the Group III antagonist, MSOP (ED(50) 40.2 [21.0-77.0], nmol i.c.v.). At very high doses (500 nmol i.c.v. and above), Group III antagonists have pro-convulsant and convulsant activity. The anticonvulsant protection against sound-induced seizures in DBA/2 mice provided by a fully protective dose (20 nmol, i.c.v.) of the mGlu(4) receptor agonist ACPT-1, is partially reversed by the co-administration of the Group III antagonists, MSOP, (RS)-alpha-methyl-4-phosphonophenylglycine (MPPG) or (S)-2-amino-2-methyl-4-phosphonobutanoic acid (MAP4), in the 20-50 nmol dose range. At doses of 50-200 nmol, MPPG and MAP4 cause further reversal of the ACPT-1 anticonvulsant protection, while the MSOP effect on ACPT-1 protection is abolished at higher doses. In contrast, the anticonvulsant protection against sound-induced seizures in DBA/2 mice provided by a fully protective dose (20 nmol, i.c.v.) of the mGlu(8) receptor agonist PPG, is not

  17. Lung recruitability is better estimated according to the Berlin definition of acute respiratory distress syndrome at standard 5 cm H2O rather than higher positive end-expiratory pressure: a retrospective cohort study.

    Science.gov (United States)

    Caironi, Pietro; Carlesso, Eleonora; Cressoni, Massimo; Chiumello, Davide; Moerer, Onner; Chiurazzi, Chiara; Brioni, Matteo; Bottino, Nicola; Lazzerini, Marco; Bugedo, Guillermo; Quintel, Michael; Ranieri, V Marco; Gattinoni, Luciano

    2015-04-01

    The Berlin definition of acute respiratory distress syndrome has introduced three classes of severity according to PaO2/FIO2 thresholds. The level of positive end-expiratory pressure applied may greatly affect PaO2/FIO2, thereby masking acute respiratory distress syndrome severity, which should reflect the underlying lung injury (lung edema and recruitability). We hypothesized that the assessment of acute respiratory distress syndrome severity at standardized low positive end-expiratory pressure may improve the association between the underlying lung injury, as detected by CT, and PaO2/FIO2-derived severity. Retrospective analysis. Four university hospitals (Italy, Germany, and Chile). One hundred forty-eight patients with acute lung injury or acute respiratory distress syndrome according to the American-European Consensus Conference criteria. Patients underwent a three-step ventilator protocol (at clinical, 5 cm H2O, or 15 cm H2O positive end-expiratory pressure). Whole-lung CT scans were obtained at 5 and 45 cm H2O airway pressure. Nine patients did not fulfill acute respiratory distress syndrome criteria of the novel Berlin definition. Patients were then classified according to PaO2/FIO2 assessed at clinical, 5 cm H2O, or 15 cm H2O positive end-expiratory pressure. At clinical positive end-expiratory pressure (11±3 cm H2O), patients with severe acute respiratory distress syndrome had a greater lung tissue weight and recruitability than patients with mild or moderate acute respiratory distress syndrome (pBerlin definition of acute respiratory distress syndrome assessed at 5 cm H2O allows a better evaluation of lung recruitability and edema than at higher positive end-expiratory pressure clinically set.

  18. A study of analysis PB1-F2 protein of Influenza Viruses A/H1N1pdm09, A/ H3N2, and A/H5N1

    Directory of Open Access Journals (Sweden)

    Hana Apsari Pawestri

    2016-07-01

    Full Text Available Abstrak Tujuan. Protein PB1-F2 (polymerase basic 1-frame 2 adalah protein terbaru yang ditemukan pada virus Influenza dan telah terbukti berperan dalam induksi kematian sel dan patogenitas. Tujuan dari tulisan ini adalah untuk menganalisis protein PB1-F2 pada virus Influenza A/H5N1 dan A/H1N1pdm09. Metode. Kami melakukan pencarian data yang relevan yaitu sekuens gen virus Influenza A/H5N1 dan A/H1N1pdm09 dari Gen Bank National Center for Biotechnology Information (NCBI selama tahun 1997-2015. Data yang digunakan adalah data sekuens nukleotida gen PB1 (polymerase basic1 virus influenza A/H5N1 dan A/H1N1pdm09. Kemudian dilakukan analisis alignment untuk mengetahui variasi protein dan mutasi yang berhubungan dengan patogenitas dan virulensi. Hasil. Kami melakukan penelitian terhadap sekuens PB1-F2 sebanyak 3262 influenza A/H5N1 dan 2472 Influenza A/H1N1pdm09. Hasil analisis menunjukkan bahwa semua sekuens A/H5N1 memiliki panjang yang penuh sebanyak 90 asam amino, kecuali influenza pandemi 2009 hanya memiliki panjang 87 asam amino. Kemudian, ditemukan mutasi yang berhubungan dengan virulensi yang ditunjukan dengan perubahan asam amino Asparagin (N menjadi Serin (S. Mutasi tersebut terjadi pada Influenza A/H5N1 sebanyak 8.5% dan Influenza A/H1N1pdm09 sebanyak 0.5%. Kesimpulan. Ditemukan beberapa variasi panjang asam amino dan mutasi penting pada sekuens PB1-F2 dari subtipe yang berbeda yaitu influenza A/H5N1 dan A/H1N1pdm09  yang mengindikasikan seleksi spesifik karena introduksi dan adaptasi terhadap inang yang berbeda. Diperlukan penelitian lanjutan untuk lebih memahami variasi dan kontribusi protein PB1-F2 tersebut terhadap virulensi dan patogenitas virus Influenza. Kata kunci : Patogenesis, Virus Influenza, Protein  PB1-F2 Abstract Aim. Influenza virus PB1-F2 (polymerase basic 1-frame 2 protein is a novel protein previously shown to be involved in cell death induction and pathogenesis. Here we analysis the PB1-F2 protein of Influenza virus A/H

  19. A study of analysis PB1-F2 protein of Influenza Viruses A/H1N1pdm09, A/ H3N2, and A/H5N1

    Directory of Open Access Journals (Sweden)

    Hana Apsari Pawestri

    2016-07-01

    Full Text Available Abstrak Tujuan. Protein PB1-F2 (polymerase basic 1-frame 2 adalah protein terbaru yang ditemukan pada virus Influenza dan telah terbukti berperan dalam induksi kematian sel dan patogenitas. Tujuan dari tulisan ini adalah untuk menganalisis protein PB1-F2 pada virus Influenza A/H5N1 dan A/H1N1pdm09. Metode. Kami melakukan pencarian data yang relevan yaitu sekuens gen virus Influenza A/H5N1 dan A/H1N1pdm09 dari Gen Bank National Center for Biotechnology Information (NCBI selama tahun 1997-2015. Data yang digunakan adalah data sekuens nukleotida gen PB1 (polymerase basic1 virus influenza A/H5N1 dan A/H1N1pdm09. Kemudian dilakukan analisis alignment untuk mengetahui variasi protein dan mutasi yang berhubungan dengan patogenitas dan virulensi. Hasil. Kami melakukan penelitian terhadap sekuens PB1-F2 sebanyak 3262 influenza A/H5N1 dan 2472 Influenza A/H1N1pdm09. Hasil analisis menunjukkan bahwa semua sekuens A/H5N1 memiliki panjang yang penuh sebanyak 90 asam amino, kecuali influenza pandemi 2009 hanya memiliki panjang 87 asam amino. Kemudian, ditemukan mutasi yang berhubungan dengan virulensi yang ditunjukan dengan perubahan asam amino Asparagin (N menjadi Serin (S. Mutasi tersebut terjadi pada Influenza A/H5N1 sebanyak 8.5% dan Influenza A/H1N1pdm09 sebanyak 0.5%. Kesimpulan. Ditemukan beberapa variasi panjang asam amino dan mutasi penting pada sekuens PB1-F2 dari subtipe yang berbeda yaitu influenza A/H5N1 dan A/H1N1pdm09  yang mengindikasikan seleksi spesifik karena introduksi dan adaptasi terhadap inang yang berbeda. Diperlukan penelitian lanjutan untuk lebih memahami variasi dan kontribusi protein PB1-F2 tersebut terhadap virulensi dan patogenitas virus Influenza. Kata kunci : Patogenesis, Virus Influenza, Protein  PB1-F2 Abstract Aim. Influenza virus PB1-F2 (polymerase basic 1-frame 2 protein is a novel protein previously shown to be involved in cell death induction and pathogenesis. Here we analysis the PB1-F2 protein of Influenza virus A/H

  20. Isotope shift of the 590-cm-1 Raman feature in underdoped Bi2Sr2CaCu2O8+δ

    Science.gov (United States)

    Hewitt, K. C.; Wang, N. L.; Irwin, J. C.; Pooke, D. M.; Pantoja, A. E.; Trodahl, H. J.

    1999-10-01

    Raman-scattering studies have been performed on underdoped Bi2Sr2CaCu2O8+δ. In single crystals underdoped by oxygen removal, a 590-cm-1 peak is observed in the B1g spectrum. The feature is observed to soften in frequency by 3.8% with isotopic exchange of 16O by 18O. In contrast, the 590-cm-1 peak is not observed in crystals underdoped by Y substitution which suggests that it is a vibrational mode activated by oxygen deficency. We have also found that underdoping leads to a depletion of low-energy spectral weight from regions of the Fermi surface located near the Brillouin-zone axes.

  1. Reaction rate and isomer-specific product branching ratios of C2H + C4H8: 1-butene, cis-2-butene, trans-2-butene, and isobutene at 79 K.

    Science.gov (United States)

    Bouwman, Jordy; Fournier, Martin; Sims, Ian R; Leone, Stephen R; Wilson, Kevin R

    2013-06-20

    The reactions of C2H radicals with C4H8 isomers 1-butene, cis-2-butene, trans-2-butene, and isobutene are studied by laser photolysis-vacuum ultraviolet mass spectrometry in a Laval nozzle expansion at 79 K. Bimolecular-reaction rate constants are obtained by measuring the formation rate of the reaction product species as a function of the reactant density under pseudo-first-order conditions. The rate constants are (1.9 ± 0.5) × 10(-10), (1.7 ± 0.5) × 10(-10), (2.1 ± 0.7) × 10(-10), and (1.8 ± 0.9) × 10(-10) cm(3) s(-1) for the reaction of C2H with 1-butene, cis-2-butene, trans-2-butene, and isobutene, respectively. Bimolecular rate constants for 1-butene and isobutene compare well to values measured previously at 103 K using C2H chemiluminescence. Photoionization spectra of the reaction products are measured and fitted to ionization spectra of the contributing isomers. In conjunction with absolute-ionization cross sections, these fits provide isomer-resolved product branching fractions. The reaction between C2H and 1-butene yields (65 ± 10)% C4H4 in the form of vinylacetylene and (35 ± 10)% C5H6 in the form of 4-penten-1-yne. The cis-2-butene and trans-2-butene reactions yield solely 3-penten-1-yne, and no discrimination is made between cis- and trans-3-penten-1-yne. Last, the isobutene reaction yields (26 ± 15)% 3-penten-1-yne, (35 ± 15)% 2-methyl-1-buten-3-yne, and (39 ± 15)% 4-methyl-3-penten-1-yne. The branching fractions reported for the C2H and butene reactions indicate that these reactions preferentially proceed via CH3 or C2H3 elimination rather than H-atom elimination. Within the experimental uncertainties, no evidence is found for the formation of cyclic species.

  2. FAST TRACK COMMUNICATION: Recombination of H+3 ions in the afterglow of a He Ar H2 plasma

    Science.gov (United States)

    Glosik, J.; Korolov, I.; Plasil, R.; Novotny, O.; Kotrik, T.; Hlavenka, P.; Varju, J.; Mikhailov, I. A.; Kokoouline, V.; Greene, Chris H.

    2008-10-01

    Recombination of H+3 with electrons is studied in a low-temperature plasma containing He, H2 and Ar at different He and H2 densities. The effective plasma recombination rate is driven by binary, H+3 + e-, and ternary, H+3 + e-+ He, processes with the rate coefficients 7.5 × 10-8 cm3 s-1 and 2.8 × 10-25 cm6 s-1 respectively at 260 K. We suggest that the ternary recombination involves formation of neutral highly excited Rydberg H3 followed by an l-changing collision with He. The difference between recombination of para- and ortho-H+3 is discussed.

  3. Methyl 2-Benzamido-2-(1H-benzimidazol-1-ylmethoxyacetate

    Directory of Open Access Journals (Sweden)

    Alami Anouar

    2012-09-01

    Full Text Available The heterocyclic carboxylic α-aminoester methyl 2-benzamido-2-(1H-benzimidazol-1-ylmethoxyacetate is obtained by O-alkylation of methyl α-azido glycinate N-benzoylated with 1H-benzimidazol-1-ylmethanol.

  4. Ga2O3 Schottky rectifiers with 1 ampere forward current, 650 V reverse breakdown and 26.5 MW.cm-2 figure-of-merit

    Science.gov (United States)

    Yang, Jiancheng; Ren, F.; Tadjer, Marko; Pearton, S. J.; Kuramata, A.

    2018-05-01

    A key goal for Ga2O3 rectifiers is to achieve high forward currents and high reverse breakdown voltages. Field-plated β-Ga2O3 Schottky rectifiers with area 0.01 cm2, fabricated on 10 μm thick, lightly-doped drift regions (1.33 x 1016 cm-3) on heavily-doped (3.6 x 1018 cm-3) substrates, exhibited forward current density of 100A.cm-2 at 2.1 V, with absolute current of 1 A at this voltage and a reverse breakdown voltage (VB) of 650V. The on-resistance (RON) was 1.58 x 10-2 Ω.cm2, producing a figure of merit (VB2/RON) of 26.5 MW.cm-2. The Schottky barrier height of the Ni was 1.04 eV, with an ideality factor of 1.02. The on/off ratio was in the range 3.3 x 106 - 5.7 x 109 for reverse biases between 5 and 100V. The reverse recovery time was ˜30 ns for switching from +2V to -5V. The results show the capability of β-Ga2O3 rectifiers to achieve exceptional performance in both forward and reverse bias conditions.

  5. A quantum-rovibrational-state-selected study of the proton-transfer reaction H2+(X2Σ: v+ = 1-3; N+ = 0-3) + Ne → NeH+ + H using the pulsed field ionization-photoion method: observation of the rotational effect near the reaction threshold.

    Science.gov (United States)

    Xiong, Bo; Chang, Yih-Chung; Ng, Cheuk-Yiu

    2017-07-19

    Using the sequential electric field pulsing scheme for vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) detection, we have successfully prepared H 2 + (X 2 Σ: v + = 1-3; N + = 0-5) ions in the form of an ion beam in single quantum-rovibrational-states with high purity, high intensity, and narrow laboratory kinetic energy spread (ΔE lab ≈ 0.05 eV). This VUV-PFI-PI ion source, when coupled with the double-quadrupole double-octupole ion-molecule reaction apparatus, has made possible a systematic examination of the vibrational- as well as rotational-state effects on the proton transfer reaction of H 2 + (X 2 Σ: v + ; N + ) + Ne. Here, we present the integral cross sections [σ(v + ; N + )'s] for the H 2 + (v + = 1-3; N + = 0-3) + Ne → NeH + + H reaction observed in the center-of-mass kinetic energy (E cm ) range of 0.05-2.00 eV. The σ(v + = 1, N + = 1) exhibits a distinct E cm onset, which is found to agree with the endothermicity of 0.27 eV for the proton transfer process after taking into account of experimental uncertainties. Strong v + -vibrational enhancements are observed for σ(v + = 1-3, N + ) in the E cm range of 0.05-2.00 eV. While rotational excitations appear to have little effect on σ(v + = 3, N + ), a careful search leads to the observation of moderate N + -rotational enhancements at v + = 2: σ(v + = 2; N + = 0) quantum dynamics predictions. We hope that these new experimental results would further motivate more rigorous theoretical calculations on the dynamics of this prototypical ion-molecule reaction.

  6. Study of surface exfoliation on 6H-SiC induced by H{sub 2}{sup +} implantation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, L. [Department of Physics, School of Science, Lanzhou University of Technology, Lanzhou 730050 (China); Li, B.S., E-mail: b.s.li@impcas.ac.cn [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2017-03-01

    The effect of lattice damage generated by the H{sub 2}{sup +}-implantation on exfoliation efficiency in 6H-SiC wafers is investigated. <0001> 6H-SiC wafers were implanted with 134 keV H{sub 2}{sup +} ions to ion fluences from 1.5×10{sup 16} to 5×10{sup 16} H{sub 2}{sup +} cm{sup −2} and subsequently annealed at temperatures from 973 K to 1373 K. The samples were studied by a combination of optical microscopy and transmission electron microscopy. Only after 1373 K annealing for 15 min, blisters and exfoliation occur on the H{sub 2}{sup +}-implanted sample surface. With increasing the implantation fluences from 1.5×10{sup 16} to 3.75×10{sup 16} H{sub 2}{sup +} cm{sup −2}, the exfoliation mean size decreases, while the exfoliation density increases. For the highest fluence of 5×10{sup 16} H{sub 2}{sup +} cm{sup −2}, seldom exfoliations occur on the sample surface. Microstructure analysis shows that exfoliation efficiency is largely controlled by the H{sub 2}{sup +}-implantation-induced lattice damage. The depth of the microcrack is related to the implantation fluence. The effect of implantation fluence on dislocation loops, platelet nucleation and growth is investigated.

  7. Ab initio and transition state theory study of the OH + HO2H2O + O2(3Σg−)/O2(1Δg) reactions: yield and role of O2(1Δg) in H2O2 decomposition and in combustion of H2

    KAUST Repository

    Monge Palacios, Manuel

    2018-01-22

    Reactions of hydroxyl (OH) and hydroperoxyl (HO2) are important for governing the reactivity of combustion systems. We performed post-CCSD(T) ab initio calculations at the W3X-L//CCSD = FC/cc-pVTZ level to explore the triplet ground-state and singlet excited-state potential energy surfaces of the OH + HO2H2O + O2(3Σg−)/O2(1Δg) reactions. Using microcanonical and multistructural canonical transition state theories, we calculated the rate constant for the triplet and singlet channels over the temperature range 200–2500 K, represented by k(T) = 3.08 × 1012T0.07 exp(1151/RT) + 8.00 × 1012T0.32 exp(−6896/RT) and k(T) = 2.14 × 106T1.65 exp(−2180/RT) in cm3 mol−1 s−1, respectively. The branching ratios show that the yield of singlet excited oxygen is small (<0.5% below 1000 K). To ascertain the importance of singlet oxygen channel, our new kinetic information was implemented into the kinetic model for hydrogen combustion recently updated by Konnov (Combust. Flame, 2015, 162, 3755–3772). The updated kinetic model was used to perform H2O2 thermal decomposition simulations for comparison against shock tube experiments performed by Hong et al. (Proc. Combust. Inst., 2013, 34, 565–571), and to estimate flame speeds and ignition delay times in H2 mixtures. The simulation predicted a larger amount of O2(1Δg) in H2O2 decomposition than that predicted by Konnov\\'s original model. These differences in the O2(1Δg) yield are due to the use of a higher ab initio level and a more sophisticated methodology to compute the rate constant than those used in previous studies, thereby predicting a significantly larger rate constant. No effect was observed on the rate of the H2O2 decomposition and on the flame speeds and ignition delay times of different H2–oxidizer mixtures. However, if the oxidizer is seeded with O3, small differences appear in the flame speed. Given that O2(1Δg) is much more reactive than O2(3Σg−), we do not preclude an effect of the

  8. Synthesis and Characterisation of Tris(1-carboxyl-2-phenyl-1,2-ethyl eno dithiol enic-S,S') Tungsten Complex as Photo catalyst for Photolysis of H2O Molecules

    International Nuclear Information System (INIS)

    Fadhli Hadana Rahman; Rusli Daik; Mohammad Kassim; Khuzaimah; Wan Ramli Wan Daud

    2008-01-01

    Tris(1-carboxyl-2-phenyl-1,2-ethylenodithiolenic-S,S ' ) tungsten complex is one of the most promising photo catalyst to be used in photolysis of water to produce hydrogen. The first step of the synthesis involves a metathesis reaction of tetrapropylammonium bromide [((C 3 H 7 ) 4 N)Br] and ammonium tetrathiotungstate [(NH 4 ) 2 WS 4 ] to form a tetrapropylammonium tetrathiotungstate [((C 3 H 7 ) 4 N) 2 WS 4 ] (precursor). Then, the precursor was reacted with phenyl acetylenecarboxylic acid (C 9 H 6 O 2 ) to form tris(1-carboxyl-2-phenyl-1,2-ethylenodithiolenic-S,S ' ) tungsten complex (C 27 H 18 O 2 S 6 W). The infra-red, ultra violet/ visible (UV/ Vis) spectrum, nuclear magnetic resonance (NMR) and elemental micro-analysis of C, H, N and S agreed with the characteristic of the tris(1-carboxyl-2-phenyl-1,2-ethylenodithiolenic-S,S ' ) tungsten complex. The (W-S), (C-S) and (C=O) stretching frequencies were detected at 511, (1470 and 1035) and 1655 cm -1 , respectively. The 1 H NMR spectrum showed six protons in the complex. The 13 C NMR showed only 7 signals for carbon atom in the benzene ring, ethylene groups and carboxylic acid pendant group due to the symmetry of the molecules. The reaction yield was about 50 percent. Photolysis of acetone spiked H 2 O showed that the catalyst was able to produced 1.8 μmol/ h hydrogen. (author)

  9. Simple synthesis of multi-halogen pyrazino [1,2-a]indole-1,8(2H,5aH)-dione

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Rui Xia; Zhao, Yu Cheng; Kong, Ling Bin; Yan, Sheng Jiao; Lin, Jun [Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), Ministry Education, School of Chemical Science and Technology, Yunnan University, Kunming (China)

    2016-10-15

    A concise and efficient one-pot synthesis of multi-halogen pyrazino[1,2-a]indole-1,8(2H,5aH)-dione (MHPID) derivatives by the reaction of an enamino ester with multi-halogen benzoquinone derivatives is described. MHPIDs 3a–3d were obtained with good yields (78–83%) by refluxing enamino esters 1a and 1b and tetrahalogen-1,4-benzoquinones 2a and 2b for 24 h without the use of catalysts. Compounds 3e–3p were also obtained with excellent yields (69–92%) via the reaction of the phenyl-substituted enamino esters 1c–1h with tetrahalogen-1,4-benzoquinones 2a and 2b in CH3CN catalyzed by Cs2CO3. These two protocols are efficient and effective for the synthesis of MHPIDs.

  10. 2,7-Diphenyl[1]benzothieno[3,2-b]benzothiophene, a new organic semiconductor for air-stable organic field-effect transistors with mobilities up to 2.0 cm2 V(-1) s(-1).

    Science.gov (United States)

    Takimiya, Kazuo; Ebata, Hideaki; Sakamoto, Katsuhiro; Izawa, Takafumi; Otsubo, Tetsuo; Kunugi, Yoshihito

    2006-10-04

    Vapor-deposited thin films of a newly developed sulfur-containing heteroarene, 2,7-diphenyl[1]benzothieno[3,2-b][1]benzothiophene (DPh-BTBT), were used as an active layer of OFETs, which showed excellent FET characteristics in ambient conditions with mobilities of approximately 2.0 cm2 V-1 s-1 and Ion/Ioff of 107.

  11. Infrared spectroscopy of the NO3 radical from 2000 to 3000 cm-1

    Science.gov (United States)

    Kawaguchi, Kentarou; Fujimori, Ryuji; Tang, Jian; Ishiwata, Takashi

    2018-02-01

    The present paper reports high-resolution spectroscopic study of the 14NO3 radical in the 2000-3000 cm-1 region, where eight E‧-A2‧ bands from the ground state are observed. Three bands at 2206, 2246, and 2377 cm-1 are analyzed for the first time, and assigned to the ν1 + 3ν4, 2ν2 + 2ν4, and ν3 + 3ν4 bands, respectively. Bands at 2024, 2155, 2518, and 2585 cm-1 are reassigned to the ν1 + ν3, 2ν3, ν1 + ν3 + ν4, and 2ν3 + ν4 bands, respectively, by adopting the new ν3 vibrational frequency of 1055 cm-1 lower than the previous ν3 = 1492 cm-1. The band at 2902 cm-1 is observed for the first time and assigned to the ν1 + ν3 + 2ν4 band which is the ν1 combined band with the 1927 cm-1 band. Band intensities observed in the 2000-3000 cm-1 region are attributed to the intensity borrowing from the B˜2E‧ -X˜2 A2‧ electronic transition through the vibronic interaction. Although the ν3 fundamental band has not been observed due to the cancelation of vibrational intensity and borrowed intensity, the 2ν3 band becomes stronger than ν3 by a factor of more than 50. Perturbation effects are recognized for the bands observed except for the 2206 cm-1 and 2377 cm-1 bands, and are analyzed by taking into account the Coriolis interaction in the most cases. However, the 2024 cm-1 band is free from the Coriolis interaction, and the v1-v3 interaction is incorporated in the analysis, leading to the 2ν1 frequency of 2008.8 cm-1, which is close to the energy value of 2010 cm-1 observed by a laser induced fluorescence study.

  12. Ectopic Expression of Pumpkin NAC Transcription Factor CmNAC1 Improves Multiple Abiotic Stress Tolerance in Arabidopsis

    Directory of Open Access Journals (Sweden)

    Haishun Cao

    2017-11-01

    Full Text Available Drought, cold and salinity are the major environmental stresses that limit agricultural productivity. NAC transcription factors regulate the stress response in plants. Pumpkin (Cucurbita moschata is an important cucurbit vegetable crop and it has strong resistance to abiotic stress; however, the biological functions of stress-related NAC genes in this crop are largely unknown. This study reports the function of CmNAC1, a stress-responsive pumpkin NAC domain protein. The CmNAC1-GFP fusion protein was transiently expressed in tobacco leaves for subcellular localization analysis, and we found that CmNAC1 is localized in the nucleus. Transactivation assay in yeast cells revealed that CmNAC1 functions as a transcription activator, and its transactivation domain is located in the C-terminus. CmNAC1 was ubiquitously expressed in different organs, and its transcript was induced by salinity, cold, dehydration, H2O2, and abscisic acid (ABA treatment. Furthermore, the ectopic expression (EE of CmNAC1 in Arabidopsis led to ABA hypersensitivity and enhanced tolerance to salinity, drought and cold stress. In addition, five ABA-responsive elements were enriched in CmNAC1 promoter. The CmNAC1-EE plants exhibited different root architecture, leaf morphology, and significantly high concentration of ABA compared with WT Arabidopsis under normal conditions. Our results indicated that CmNAC1 is a critical factor in ABA signaling pathways and it can be utilized in transgenic breeding to improve the abiotic stress tolerance of crops.

  13. A neural network potential energy surface for the NaH2 system and dynamics studies on the H(2S) + NaH(X1Σ+) → Na(2S) + H2(X1Σg+) reaction.

    Science.gov (United States)

    Wang, Shufen; Yuan, Jiuchuang; Li, Huixing; Chen, Maodu

    2017-08-02

    In order to study the dynamics of the reaction H( 2 S) + NaH(X 1 Σ + ) → Na( 2 S) + H 2 (X 1 Σ g + ), a new potential energy surface (PES) for the ground state of the NaH 2 system is constructed based on 35 730 ab initio energy points. Using basis sets of quadruple zeta quality, multireference configuration interaction calculations with Davidson correction were carried out to obtain the ab initio energy points. The neural network method is used to fit the PES, and the root mean square error is very small (0.00639 eV). The bond lengths, dissociation energies, zero-point energies and spectroscopic constants of H 2 (X 1 Σ g + ) and NaH(X 1 Σ + ) obtained on the new NaH 2 PES are in good agreement with the experiment data. On the new PES, the reactant coordinate-based time-dependent wave packet method is applied to study the reaction dynamics of H( 2 S) + NaH(X 1 Σ + ) → Na( 2 S) + H 2 (X 1 Σ g + ), and the reaction probabilities, integral cross-sections (ICSs) and differential cross-sections (DCSs) are obtained. There is no threshold in the reaction due to the absence of an energy barrier on the minimum energy path. When the collision energy increases, the ICSs decrease from a high value at low collision energy. The DCS results show that the angular distribution of the product molecules tends to the forward direction. Compared with the LiH 2 system, the NaH 2 system has a larger mass and the PES has a larger well at the H-NaH configuration, which leads to a higher ICS value in the H( 2 S) + NaH(X 1 Σ + ) → Na( 2 S) + H 2 (X 1 Σ g + ) reaction. Because the H( 2 S) + NaH(X 1 Σ + ) → Na( 2 S) + H 2 (X 1 Σ g + ) reaction releases more energy, the product molecules can be excited to a higher vibrational state.

  14. Fourier transform measurements of water vapor line parameters in the 4200-6600 cm{sup -1} region

    Energy Technology Data Exchange (ETDEWEB)

    Jenouvrier, Alain [Groupe de Spectrometrie Moleculaire et Atmospherique, UMR CNRS 6089, UFR Sciences, Moulin de la Housse, B.P. 1039, 51067 Reims Cedex 2 (France)]. E-mail: alain.jenouvrier@univ-reims.fr; Daumont, Ludovic [Groupe de Spectrometrie Moleculaire et Atmospherique, UMR CNRS 6089, UFR Sciences, Moulin de la Housse, B.P. 1039, 51067 Reims Cedex 2 (France); Regalia-Jarlot, Laurence [Groupe de Spectrometrie Moleculaire et Atmospherique, UMR CNRS 6089, UFR Sciences, Moulin de la Housse, B.P. 1039, 51067 Reims Cedex 2 (France); Tyuterev, Vladimir G. [Groupe de Spectrometrie Moleculaire et Atmospherique, UMR CNRS 6089, UFR Sciences, Moulin de la Housse, B.P. 1039, 51067 Reims Cedex 2 (France); Carleer, Michel [Service de Chimie Quantique et de Photophysique, CP 160/09, Universite Libre de Bruxelles, 50 Av. F.D. Roosevelt, B-1050 Brussels (Belgium); Vandaele, Ann Carine [Institut d' Aeronomie Spatiale de Belgique, Av. Circulaire 3, B-1180 Brussels (Belgium); Mikhailenko, Semen [Laboratory of Theoretical Spectroscopy, Institute of Atmospheric Optics, Russian Academy of Sciences, 1, Av. Akademichesskii, 634055 Tomsk (Russian Federation); Fally, Sophie [Service de Chimie Quantique et de Photophysique, CP 160/09, Universite Libre de Bruxelles, 50 Av. F.D. Roosevelt, B-1050 Brussels (Belgium)

    2007-06-15

    New high-resolution water vapor absorption spectra were obtained at room temperature in the 4200-6600 cm{sup -1} spectral region by combining Fourier transform spectrometers (FTS) with single and multiple reflection cells. With absorption paths from 0.3 to 1800 m in pure and air diluted water vapor, accurate measurements of about 10400 lines in an intensity range from 10{sup -29} to 10{sup -19} cm/molecule have been performed. Positions, intensities, self- and air-broadening coefficients and air-induced shifts were determined for the H{sub 2} {sup 16}O, H{sub 2} {sup 17}O, H{sub 2} {sup 18}O and HDO isotopologues. The rovibrational assignment of the observed lines was performed with the use of global variational predictions and allowed the identification of several new energy levels. One major contribution of this work consists of the identification of 3280 new weak lines. A very close agreement between the new measured parameters and those listed in the database is reported as well as between the observations and the most recent variational calculations for the positions and the intensities. The present parameters provide an extended and homogeneous data set for water vapor, which is shown to significantly improve the databases for atmospheric applications, especially in the transmission windows on both sides of the band centered at 5400 cm{sup -1}.

  15. Sulfidogenesis in hypersaline chloride-sulfate lakes of Kulunda Steppe (Altai, Russia)

    NARCIS (Netherlands)

    Sorokin, D.Y.; Zacharova, E.E.; Pimenov, N.V.; Tourova, T.P.; Panteleeva, A.N.; Muyzer, G.

    2012-01-01

    The activity and culturable diversity of sulfidogens were investigated in anoxic sediments of four hypersaline lakes with pH 7.6-8.2 in the Kulunda Steppe (Altai, Russia). Sulfate reduction rates were low, varying from 0.1 to 6.0 nmol HS−/(cm3 h) with a maximum in the top 10 cm layer. Potential

  16. Thermal conductivity of (Np0.20Pu0.50Am0.25Cm0.05)O2−x solid solutions

    International Nuclear Information System (INIS)

    Nishi, Tsuyoshi; Takano, Masahide; Akabori, Mitsuo; Arai, Yasuo

    2013-01-01

    Highlights: • Thermal conductivity of (Np 0.20 Pu 0.50 Am 0.25 Cm 0.05 )O 2−x was evaluated. • Dependence of thermal conductivity on storage time was clarified. • Results were discussed with the lattice expansion model by self-irradiation. • After annealing at 1423 K in vacuum, thermal conductivity returned. -- Abstract: The authors prepared the sintered sample of (Np 0.20 Pu 0.50 Am 0.25 Cm 0.05 )O 2−x (2 − x = 1.98, 1.96) solid solution and evaluated the dependence of the thermal conductivity on storage time and temperature. The heat capacity of (Np 0.20 Pu 0.50 Am 0.25 Cm 0.05 )O 1.98 was measured between 324 and 1082 K by a drop calorimetry. The thermal diffusivity of (Np 0.20 Pu 0.50 Am 0.25 Cm 0.05 )O 1.98 was measured when the storage time became 48, 216, 720 and 1584 h and that of (Np 0.20 Pu 0.50 Am 0.25 Cm 0.05 )O 1.96 was measured when the storage time became 0,528 and 1386 h. In this study, the latter sample was annealed at 1423 K in vacuum with background pressure of less than 2.0 × 10 −4 Pa just after the measurement on the storage time, 1386 h. The thermal diffusivity of (Np 0.20 Pu 0.50 Am 0.25 Cm 0.05 )O 1.96 just after annealing returned to the values of the storage time, 0 h. This result reveals the thermal recovery behavior by annealing. The thermal conductivity of (Np 0.20 Pu 0.50 Am 0.25 Cm 0.05 )O 2−x was determined from the measured thermal diffusivity, heat capacity and bulk density. The thermal conductivity of (Np 0.20 Pu 0.50 Am 0.25 Cm 0.05 )O 2−x exponentially decreased with increasing storage time. This result suggested that the decrease of the thermal conductivity was attributed to the accumulation of lattice defects caused by self-irradiation

  17. Seroprevalence of H1N1, H3N2 and H1N2 influenza viruses in pigs in seven European countries in 2002-2003

    NARCIS (Netherlands)

    Reeth, K.; Brown, I.H.; Durrwald, R.; Foni, E.; Labarque, G.; Lenihan, P.; Maldonado, J.; Markowska-Daniel, I.; Pensaert, M.; Pospisil, Z.; Koch, G.

    2008-01-01

    Objectives Avian-like H1N1 and human-like H3N2 swine influenza viruses (SIV) have been considered widespread among pigs in Western Europe since the 1980s, and a novel H1N2 reassortant with a human-like H1 emerged in the mid 1990s. This study, which was part of the EC-funded 'European Surveillance

  18. The Fabrication and Characterization of Ni/4H-SiC Schottky Diode Radiation Detectors with a Sensitive Area of up to 4 cm2

    Directory of Open Access Journals (Sweden)

    Lin-Yue Liu

    2017-10-01

    Full Text Available Silicon carbide (SiC detectors of an Ni/4H-SiC Schottky diode structure and with sensitive areas of 1–4 cm2 were fabricated using high-quality lightly doped epitaxial 4H-SiC material, and were tested in the detection of alpha particles and pulsed X-rays/UV-light. A linear energy response to alpha particles ranging from 5.157 to 5.805 MeV was obtained. The detectors were proved to have a low dark current, a good energy resolution, and a high neutron/gamma discrimination for pulsed radiation, showing the advantages in charged particle detection and neutron detection in high-temperature and high-radiation environments.

  19. Quinoline-Flanked Diketopyrrolopyrrole Copolymers Breaking through Electron Mobility over 6 cm2 V-1 s-1 in Flexible Thin Film Devices.

    Science.gov (United States)

    Ni, Zhenjie; Dong, Huanli; Wang, Hanlin; Ding, Shang; Zou, Ye; Zhao, Qiang; Zhen, Yonggang; Liu, Feng; Jiang, Lang; Hu, Wenping

    2018-03-01

    Herein, the design and synthesis of novel π-extended quinoline-flanked diketopyrrolopyrrole (DPP) [abbreviated as QDPP] motifs and corresponding copolymers named PQDPP-T and PQDPP-2FT for high performing n-type organic field-effect transistors (OFETs) in flexible organic thin film devices are reported. Serving as DPP-flankers in backbones, quinoline is found to effectively tune copolymer optoelectric properties. Compared with TDPP and pyridine-flanked DPP (PyDPP) analogs, widened bandgaps and strengthened electron deficiency are achieved. Moreover, both hole and electron mobility are improved two orders of magnitude compared to those of PyDPP analogs (PPyDPP-T and PPyDPP-2FT). Notably, featuring an all-acceptor-incorporated backbone, PQDPP-2FT exhibits electron mobility of 6.04 cm 2 V -1 s -1 , among the highest value in OFETs fabricated on flexible substrates to date. Moreover, due to the widened bandgap and strengthened electron deficiency of PQDPP, n-channel on/off ratio over 10 5 with suppressed hole transport is first realized in the ambipolar DPP-based copolymers. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Extraction of volume produced H- or D- ions from a sheet plasma, 2

    International Nuclear Information System (INIS)

    Uramoto, Joshin.

    1984-02-01

    A development to large area H - or D - ion source is tried by using three extraction electrodes: The first electrode bias voltage is set near the wall potential (floating), the second electrode is set near 13 % of main extraction voltage and the third electrode is the main acceleration electrode. An ion current of 13 mA (3.3 mA/cm 2 ) for H - or 11 mA (2.8 mA/ cm 2 ) for D - at 3 KeV is extracted from 9 apertures of 6 mm phi in 4 cm 2 outside of the sheet plasma (14 cm wide and 1.0 cm thick) under a pressure of 7.7 x 10 -4 H2 or D2 gas and a weak magnetic field 50 gauss. Then, it is noted that the corresponding electron current is suppressed below 1/10 of the H - or D - ion current. (author)

  1. The ν 1Band System of H-CC-CN (Cyanoacetylene)

    Science.gov (United States)

    Winther, F.; Klee, S.; Mellau, G.; Naı̈m, S.; Mbosei, L.; Fayt, A.

    1996-02-01

    The ν1band system of cyanoacetylene (H-CC-CN) has been observed with an effective resolution of 0.006 cm-1. ν1= 3327.37085(3) cm-1,B1= 0.15149762(2) cm-1,D1= 1.8065(3) × 10-8cm-1. Several hot bands from the statesv5= 1,v6= 1,v7= 1, 2 (l= 0 and 2), 3 (l= 1 and 3), and 4 (l= 0 and 2),v6=v7= 1 (l= 0 and 2), andv6= 1 andv7= 2 (l= 3) have also been observed and analyzed. Many bands show strong local perturbations due to interactions with states which are combinations of the modes 4, 5, 6, and 7. These perturbing states are also described quantitatively, and rovibrational constants are given.

  2. Multiplex RT-PCR assay for differentiating European swine influenza virus subtypes H1N1, H1N2 and H3N2.

    Science.gov (United States)

    Chiapponi, Chiara; Moreno, Ana; Barbieri, Ilaria; Merenda, Marianna; Foni, Emanuela

    2012-09-01

    In Europe, three major swine influenza viral (SIV) subtypes (H1N1, H1N2 and H3N2) have been isolated in pigs. Developing a test that is able to detect and identify the subtype of the circulating strain rapidly during an outbreak of respiratory disease in the pig population is of essential importance. This study describes two multiplex RT-PCRs which distinguish the haemagglutinin (HA) gene and the neuraminidase (NA) gene of the three major subtypes of SIV circulating in Europe. The HA PCR was able to identify the lineage (avian or human) of the HA of H1 subtypes. The analytical sensitivity of the test, considered to be unique, was assessed using three reference viruses. The detection limit corresponded to 1×10(-1) TCID(50)/200μl for avian-like H1N1, 1×10(0) TCID(50)/200μl for human-like H1N2 and 1×10(1) TCID(50)/200μl for H3N2 SIV. The multiplex RT-PCR was first carried out on a collection of 70 isolated viruses showing 100% specificity and then on clinical samples, from which viruses had previously been isolated, resulting in an 89% positive specificity of the viral subtype. Finally, the test was able to identify the viral subtype correctly in 56% of influenza A positive samples, from which SIV had not been isolated previously. It was also possible to identify mixed viral infections and the circulation of a reassortant strain before performing genomic studies. Copyright © 2012 Elsevier B.V. All rights reserved.

  3. Highly precise (liquid + liquid) equilibrium and heat capacity measurements near the critical point for [Bmim][BF4] + 1H, 1H, 2H, 2H perfluoroctanol

    International Nuclear Information System (INIS)

    Pérez-Sánchez, G.; Troncoso, J.; Losada-Pérez, P.; Méndez-Castro, P.; Romaní, L.

    2013-01-01

    Highlights: • Highly precise liquid–liquid curves for [Bmim][BF 4 ] + perfluoroctanol are reported. • Critical behavior of heat capacity for the same system was also characterized. • In contrast to previous results, no coulombic/solvophobic crossover for coexistence curve diameter was found. • The system criticality shows characteristics both solvophobic and coulombic. -- Abstract: Liquid + liquid equilibrium of the system [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol using a highly precise methodology based on refractive index measurements was experimentally determined. In addition, isobaric heat capacity near the critical point was obtained. The performance of the new refractive index set-up was successfully checked against the coexistence curve of the system dimethyl carbonate + decane, since highly accurate data are available in the literature. The choice of [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol was motivated by a previous experimental work, whose results suggest that this system could present characteristics of both solvophobic and coulombic behavior, which are the two categories to which an ionic system can belong. Although this was previously observed for other ionic systems, this mixture presented a very striking feature: the diameter of the coexistence curve seemed to change its criticality in the studied temperature range, from solvophobic far away to coulombic close to the critical point. The results of this work reveal that, in fact, [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol presents characteristics of both solvophobic and coulombic criticality, but no evidence of the observed crossover over the experimental temperature range has been found

  4. Experimental infection of clade 1.1.2 (H5N1), clade 2.3.2.1c (H5N1) and clade 2.3.4.4 (H5N6) highly pathogenic avian influenza viruses in dogs.

    Science.gov (United States)

    Lyoo, K S; Na, W; Phan, L V; Yoon, S W; Yeom, M; Song, D; Jeong, D G

    2017-12-01

    Since the emergence of highly pathogenic avian influenza (HPAI) H5N1 in Asia, the haemagglutinin (HA) gene of this virus lineage has continued to evolve in avian populations, and H5N1 lineage viruses now circulate concurrently worldwide. Dogs may act as an intermediate host, increasing the potential for zoonotic transmission of influenza viruses. Virus transmission and pathologic changes in HPAI clade 1.1.2 (H5N1)-, 2.3.2.1c (H5N1)- and 2.3.4.4 (H5N6)-infected dogs were investigated. Mild respiratory signs and antibody response were shown in dogs intranasally infected with the viruses. Lung histopathology showed lesions that were associated with moderate interstitial pneumonia in the infected dogs. In this study, HPAI H5N6 virus replication in dogs was demonstrated for the first time. Dogs have been suspected as a "mixing vessel" for reassortments between avian and human influenza viruses to occur. The replication of these three subtypes of the H5 lineage of HPAI viruses in dogs suggests that dogs could serve as intermediate hosts for avian-human influenza virus reassortment if they are also co-infected with human influenza viruses. © 2017 Blackwell Verlag GmbH.

  5. Structural Insights into the Association of Hif1 with Histones H2A-H2B Dimer and H3-H4 Tetramer.

    Science.gov (United States)

    Zhang, Mengying; Liu, Hejun; Gao, Yongxiang; Zhu, Zhongliang; Chen, Zijun; Zheng, Peiyi; Xue, Lu; Li, Jixi; Teng, Maikun; Niu, Liwen

    2016-10-04

    Histone chaperones are critical for guiding specific post-transcriptional modifications of histones, safeguarding the histone deposition (or disassociation) of nucleosome (dis)assembly, and regulating chromatin structures to change gene activities. HAT1-interacting factor 1 (Hif1) has been reported to be an H3-H4 chaperone and to be involved in telomeric silencing and nucleosome (dis)assembly. However, the structural basis for the interaction of Hif1 with histones remains unknown. Here, we report the complex structure of Hif1 binding to H2A-H2B for uncovering the chaperone specificities of Hif1 on binding to both the H2A-H2B dimer and the H3-H4 tetramer. Our findings reveal that Hif1 interacts with the H2A-H2B dimer and the H3-H4 tetramer via distinct mechanisms, suggesting that Hif1 is a pivotal scaffold on alternate binding of H2A-H2B and H3-H4. These specificities are conserved features of the Sim3-Hif1-NASP interrupted tetratricopeptide repeat proteins, which provide clues for investigating their potential roles in nucleosome (dis)assembly. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Regioselectivity in the Thermal Rearrangement of Unsymmetrical 4-Methyl-4H-1,2,4-triazoles to 1-Methyl-1H-1,2,4-triazoles

    Directory of Open Access Journals (Sweden)

    Per H.J. Carlsen

    2001-11-01

    Full Text Available The rearrangement of 4-methyl-3,5-diaryl-4H-1,2,4-triazoles to the corresponding 1-methyl-3,5-diaryl-1H-1,2,4-triazoles showed regioselectivity comparable to that observed for the alkylation of 3,5-diaryl-1H-1,2,4-triazoles. This lends support to a proposed mechanism for the rearrangement that involves consecutive nucleophilic displacements steps.

  7. 5-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H-dione

    Directory of Open Access Journals (Sweden)

    Salman A. Khan

    2010-03-01

    Full Text Available The title compound, 5-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H-dione, has been synthesized by condensation of 1,3-diethyl-2-thiobarbituric acid and 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR and EI-MS spectral analysis.

  8. Validation of HITEMP-2010 for carbon dioxide and water vapour at high temperatures and atmospheric pressures in 450-7600cm-1 spectral range

    DEFF Research Database (Denmark)

    Alberti, Michael; Weber, Roman; Mancini, Marco

    2015-01-01

    The objective of the work is validation of HITEMP-2010 at atmospheric pressures and temperatures reaching 1770K. To this end, spectral transmissivities at 1cm-1 resolution and excellent signal-to-noise-ratio have been measured for 22 CO2/H2O/N2 mixtures. In this paper we consider the 450cm-1-7600...

  9. The structural-phenomenological description of plastic anisotropy of H-1 and H-2.5 alloys, subjected to reactors irradiation

    International Nuclear Information System (INIS)

    Yamshchikov, N.V.; Prasolov, P.F.; Lebedinskij, K.B.

    1990-01-01

    The structural-phenomenological model of anisotropic single hpc textured polycrystals is described. The formulation of the present model is assumed that the polycrystal is continuous three-dimensional collection of transversal crystallites, the plastic properties which Hill's yield criteria are described. This model is allowed to determine six parameters in the Hill's yield criteria for ortho tropic materials based on only of uniaxial tension test in three directions and crystallographic texture. Yield surfaces of zircaloy alloys at 293 K and 623 K, subjected to irradiation in the reactor with total exposition dose 10 20 n/cm 2 are determined. Strongly influence of irradiation on the plastic behaviour of H-1 and H-2,5 alloys is observed. 2 refs.; 3 figs.; 2 tables. (author)

  10. 5-[(3-Fluorophenyl(2-hydroxy-6-oxocyclohex-1-en-1-ylmethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H-dione

    Directory of Open Access Journals (Sweden)

    Assem Barakat

    2016-09-01

    Full Text Available 5-[(3-Fluorophenyl(2-hydroxy-6-oxocyclohex-1-en-1-yl-methyl]-6-hydroxy-1,3-di-methylpyrimidine-2,4(1H,3H-dione 3 was synthesized via a multicomponent reaction. The Aldol–Michael addition reactions of N,N-dimethylbarbituric acid, cyclohexane-1,3-dione, and 3-fluorobenzaldehyde in aqueous solution gave the product in high yield. The molecular structure of the compound was confirmed by spectroscopic methods and X-ray crystallography. The title compound (C19H19FN2O5·H2O crystallizes in the Monoclinic form, P21/c, a = 7.8630 (5 Å, b = 20.0308 (13 Å, c = 11.3987 (8 Å, β = 104.274 (3°, V = 1739.9 (2° Å3, Z = 4, Rint = 0.117, wR(F2 = 0.124, T = 100 K.

  11. Charge transfer in H2+-H(1s) collisions

    International Nuclear Information System (INIS)

    Errea, L.F.; Macias, A.; Mendez, L.; Rabadan, I.; Riera, A.

    2005-01-01

    We present an ab initio study of H 2 + +H(1s) collisions at H 2 + impact energies between 0.4 and 50keV. Cross sections are obtained within the sudden approximation for rotation and vibration of the diatomic molecule. We have found that anisotropy effects are crucial to correctly describe this system in this energy range

  12. Vacuum ultraviolet photoabsorption spectroscopy of CH2Cl2 and CD2Cl2 in the energy region 50,000-95,000 cm-1

    Science.gov (United States)

    Mandal, Anuvab; Singh, Param Jeet; Shastri, Aparna; Jagatap, B. N.

    2014-12-01

    A consolidated study of the VUV absorption spectra of CH2Cl2 and CD2Cl2 in the 50,000-95,000 cm-1 region using synchrotron radiation is presented. Rydberg series and vibronic analysis are carried out and supported by quantum chemical calculations. The broad absorption band of CH2Cl2 in the region 50,000-60,000 cm-1 is attributed to the valence states 11B2, 11B1 and 11A1. Most of the bands in the 60,000-95,000 cm-1 region are fitted to Rydberg series of ns, np and nd type converging to the first four ionization potentials 11.320, 11.357, 12.152 and 12.271 eV of CH2Cl2 arising from excitation of an electron from one of the four outermost Cl non-bonding orbitals (2b1, 3b2, 1a2 and 4a1). Vertical excited states of CH2Cl2 calculated using TDDFT are correlated with experimentally observed electronic states based on the symmetries of the initial and final MOs involved in a transition. A few Rydberg transitions viz. 2b1→5s, 4p, 5p, 6p; 3b2→4p, 5p; 1a2→4p are accompanied by vibronic features. Observed vibronic bands are assigned mainly to the CCl symmetric stretch (ν3‧) mode with smaller contributions from the CH symmetric stretch (ν1‧), CH2 bend (ν2‧) and CH2 wag (ν8‧) modes. Assignments are corroborated by comparison with the VUV absorption spectrum of the deuterated isotopologue CD2Cl2, reported here for the first time. The high underlying intensities seen in several sub-regions are explained by valence or valence-Rydberg mixed type transitions predicted with high oscillator strengths by the TDDFT calculations.

  13. NH (X 3 summation -, v=1--3) formation and vibrational relaxation in electron-irradiated Ar/N2/H2 mixtures

    International Nuclear Information System (INIS)

    Dodd, J.A.; Lipson, S.J.; Flanagan, D.J.; Blumberg, W.A.M.; Person, J.C.; Green, B.D.

    1991-01-01

    Measurements of the dynamics of NH(X 3 summation - , v =1--3), created in electron-irradiated N 2 /H 2 and Ar/N 2 /H 2 mixtures, have been performed. Time-resolved Fourier spectroscopy was used to observe NH(v→v--1) vibrational fundamental band emission. Time-dependent populations were then determined by spectral fitting. Subsequent kinetic fitting of these populations using a single-quantum relaxation model and a power-law dependence of k v on v yielded the following NH(v =1--3) relaxation rate constants (units of 10 -14 cm 3 s -1 ): k v=1 (N 2 )=1.2±0.5, k v=2 (N 2 )=3.8±1.5, k v=3 (N 2 )=7.5±2.5; k v=1 (Ar)=0.2±0.1, k v=2 (Ar)=0.5±0.2, k v=3 (Ar)=0.8±0.3; k v=1 (H 2 )≤50, k v=2 (H 2 )≤100, k v=3 (H 2 )≤150. In addition, the N 2 /H 2 data provided a measurement of the nascent excited vibrational state distribution resulting from the reaction N( 2 D)+H 2 →NH(X,v)+H. The ratio NH(1):NH(2):NH(3) was found to be 1.0:0.97:0.81 (±0.28 in each value). Comparison of the observed nascent distribution with that of a statistical model suggests that the ratio NH(0):NH(1)=0.47. Using this derived distribution, we find the average product level left-angle v right-angle =1.6, and the fraction of the available product energy in vibration left-angle f v right-angle =0.44

  14. 2-(2-Chlorophenyl-2,3-dihydroquinazolin-4(1H-one

    Directory of Open Access Journals (Sweden)

    Ming-Jian Li

    2009-09-01

    Full Text Available The title compound, C14H11ClN2O, was synthesized by the reaction of 2-chlorobenzaldehyde and 2-aminobenzamide in an ionic liquid. The pyrimidine ring adopts a skew-boat conformation and the two benzene rings make a dihedral angle of 87.1 (1°. In the crystal, N—H...O and C—H...N hydrogen bonding links the molecules along b.

  15. Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H-one

    Directory of Open Access Journals (Sweden)

    Gene-Hsiang Lee

    2006-03-01

    Full Text Available The title compound 6-amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7H-one (4, molecular formula C11H10N6OS, was obtained by the reaction of3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2H-one (3 with carbon disulfide in awater/pyridine mixture. Compound 4 can also be synthesized by reacting6-amino-3(2Hmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H-one (7 with benzylbromide in methanolic ammonia water. The compound crystallizes in the monoclinicspace group P21/c with a = 7.2926(15, b = 14.456(2, c = 11.436(2 å, β = 105.30(2°, V= 1162.9(4 å3 and Z = 4, resulting in a density Dcalc of 1.567 g/cm3. Molecules of 4 arelinked by extensive intermolecular N-H···N and N-H···O hydrogen bonding [graph set R22 (9]. The structure is further stabilized by π-π stacking interactions. 2

  16. Optically active antifungal azoles. XII. Synthesis and antifungal activity of the water-soluble prodrugs of 1-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-3-[4-(1H-1-tetrazolyl)phenyl]-2-imidazolidinone.

    Science.gov (United States)

    Ichikawa, T; Kitazaki, T; Matsushita, Y; Yamada, M; Hayashi, R; Yamaguchi, M; Kiyota, Y; Okonogi, K; Itoh, K

    2001-09-01

    1-[(1R,2R)-2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-3-[4-(1H-1-tetrazolyl)phenyl]-2-imidazolidinone (1: TAK-456) was selected as a candidate for clinical trials, but since its water-solubility was insufficient for an injectable formulation, the quaternary triazolium salts 2 were designed as water-soluble prodrugs. Among the prodrugs prepared, 4-acetoxymethyl-1-[(2R,3R)-2-(2,4-difluorophenyl)-2-hydroxy-3-[2-oxo-3-[4-(1H-1-terazolyl)phenyl]-1-imidazolidinyl]butyl]-1H-1,2,4-triazolium chloride (2a: TAK-457) was selected as an injectable candidate for clinical trials based on the results of evaluations on solubility, stability, hemolytic effect and in vivo antifungal activities.

  17. LHCb Upgrades and operation at 1034 cm-2 s-1 luminosity –A first study

    CERN Document Server

    Efthymiopoulos, Ilias; Baglin, Vincent; Burkhardt, Helmut; Cerutti, Francesco; Claudet, Serge; Di Girolamo, Beniamino; De Maria, Riccardo; Esposito, Luigi Salvatore; Karastathis, Nikos; Lindner, Rolf; Papaphilippou, Yannis; Pellegrini, Dario; Redaelli, Stefano; Roesler, Stefan; Sanchez Galan, Francisco; Thomas, Eric; Tsinganis, Andrea; Wollmann, Daniel; Wilkinson, Guy; Schwarz, Philip; CERN. Geneva. ATS Department

    2018-01-01

    Presently, the LHCb experiment at IP8 operates at reduced luminosity (~4.0 1032 cm-2 s-1) compared to ATLAS and CMS experiments. The LHCb collaboration is proposing an Upgrade II during HL-LHC operation, where the beams at IP8 will collide at high-luminosity (~1-2 1034 cm-2 s-1), comparable to the present high-luminosity regions IP1&IP5. The LHCb experiment aims to collect more than 300 fb-1 by the end of the HL-LHC operation. A feasibility study of operating IP8 at high-luminosity whilst preserving the performance at IP1 and IP5 and on the impact to the LHC machine and experimental cavern was done. Optics studies shows that solutions allowing to reach an integrated luminosity of 40 to 50 fb-1 per year to LHCb/IP8 at the cost of a reduction of about 5% in the integrated luminosity of the main experiments ATLAS and CMS, under the assumption that there are no lifetime limitations besides burn-off, are feasible. Energy deposition in the machine elements of the IR straight section 8 and LHC infrastructure and...

  18. Different neuraminidase inhibitor susceptibilities of human H1N1, H1N2, and H3N2 influenza A viruses isolated in Germany from 2001 to 2005/2006.

    Science.gov (United States)

    Bauer, Katja; Richter, Martina; Wutzler, Peter; Schmidtke, Michaela

    2009-04-01

    In the flu season 2005/2006 amantadine-resistant human influenza A viruses (FLUAV) of subtype H3N2 circulated in Germany. This raises questions on the neuraminidase inhibitor (NAI) susceptibility of FLUAV. To get an answer, chemiluminescence-based neuraminidase inhibition assays were performed with 51 H1N1, H1N2, and H3N2 FLUAV isolated in Germany from 2001 to 2005/2006. According to the mean IC(50) values (0.38-0.91 nM for oseltamivir and 0.76-1.13 nM for zanamivir) most H1N1 and H3N2 FLUAV were NAI-susceptible. But, about four times higher zanamivir concentrations were necessary to inhibit neuraminidase activity of H1N2 viruses. Two H1N1 isolates were less susceptible to both drugs in NA inhibition as well as virus yield reduction assays. Results from sequence analysis of viral hemagglutinin and neuraminidase genes and evolutionary analysis of N2 gene revealed (i) different subclades for N2 in H1N2 and H3N2 FLUAV that could explain the differences in zanamivir susceptibility among these viruses and (ii) specific amino acid substitutions in the neuraminidase segment of the two less NAI-susceptible H1N1 isolates. One H3N2 was isolate proved to be a mixture of a NA deletion mutant and full-length NA viruses.

  19. 2-[1-(1-Naphthyl-1H-1,2,3-triazol-4-yl]pyridine

    Directory of Open Access Journals (Sweden)

    Ulrich S. Schubert

    2009-05-01

    Full Text Available In the crystal structure of the title compound, C17H12N4, the angle between the naphthalene and 1H-1,2,3-triazole ring systems is 71.02 (4° and that between the pyridine and triazole rings is 8.30 (9°.

  20. Recombination of H{sup +}{sub 3} ions in the afterglow of a He-Ar-H{sub 2} plasma

    Energy Technology Data Exchange (ETDEWEB)

    Glosik, J; Korolov, I; Plasil, R; Novotny, O; Kotrik, T; Hlavenka, P; Varju, J [Mathematics and Physics Faculty, Charles University in Prague, Prague 8 (Czech Republic); Mikhailov, I A; Kokoouline, V [Department of Physics, University of Central Florida, Orlando, FL 32816 (United States); Greene, Chris H [Department of Physics and JILA, University of Colorado, Boulder, CO 80309-0440 (United States)], E-mail: Juraj.Glosik@mff.cuni.cz

    2008-10-14

    Recombination of H{sup +}{sub 3} with electrons is studied in a low-temperature plasma containing He, H{sub 2} and Ar at different He and H{sub 2} densities. The effective plasma recombination rate is driven by binary, H{sup +}{sub 3} + e{sup -}, and ternary, H{sup +}{sub 3} + e{sup -}+ He, processes with the rate coefficients 7.5 x 10{sup -8} cm{sup 3} s{sup -1} and 2.8 x 10{sup -25} cm{sup 6} s{sup -1} respectively at 260 K. We suggest that the ternary recombination involves formation of neutral highly excited Rydberg H{sub 3} followed by an l-changing collision with He. The difference between recombination of para- and ortho-H{sup +}{sub 3} is discussed. (fast track communication)

  1. Protective efficacy of an inactivated Eurasian avian-like H1N1 swine influenza vaccine against homologous H1N1 and heterologous H1N1 and H1N2 viruses in mice.

    Science.gov (United States)

    Sui, Jinyu; Yang, Dawei; Qiao, Chuanling; Xu, Huiyang; Xu, Bangfeng; Wu, Yunpu; Yang, Huanliang; Chen, Yan; Chen, Hualan

    2016-07-19

    Eurasian avian-like H1N1 (EA H1N1) swine influenza viruses are prevalent in pigs in Europe and Asia, but occasionally cause human infection, which raises concern about their pandemic potential. Here, we produced a whole-virus inactivated vaccine with an EA H1N1 strain (A/swine/Guangxi/18/2011, SW/GX/18/11) and evaluated its efficacy against homologous H1N1 and heterologous H1N1 and H1N2 influenza viruses in mice. A strong humoral immune response, which we measured by hemagglutination inhibition (HI) and virus neutralization (VN), was induced in the vaccine-inoculated mice upon challenge. The inactivated SW/GX/18/11 vaccine provided complete protection against challenge with homologous SW/GX/18/11 virus in mice and provided effective protection against challenge with heterologous H1N1 and H1N2 viruses with distinctive genomic combinations. Our findings suggest that this EA H1N1 vaccine can provide protection against both homologous H1N1 and heterologous H1N1 or H1N2 virus infection. As such, it is an excellent vaccine candidate to prevent H1N1 swine influenza. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Electrowetting Performances of Novel Fluorinated Polymer Dielectric Layer Based on Poly(1H,1H,2H,2H-perfluoroctylmethacrylate Nanoemulsion

    Directory of Open Access Journals (Sweden)

    Jiaxin Hou

    2017-06-01

    Full Text Available In electrowetting devices, hydrophobic insulating layer, namely dielectric layer, is capable of reversibly switching surface wettability through applied electric field. It is critically important but limited by material defects in dielectricity, reversibility, film forming, adhesiveness, price and so on. To solve this key problem, we introduced a novel fluorinated polyacrylate—poly(1H,1H,2H,2H-perfluoroctylmethacrylate (PFMA to construct micron/submicron-scale dielectric layer via facile spray coating of nanoemulsion for replacing the most common Teflon AF series. All the results illustrated that, continuous and dense PFMA film with surface relief less than 20 nm was one-step fabricated at 110 °C, and exhibited much higher static water contact angle of 124°, contact angle variation of 42°, dielectric constant of about 2.6, and breakdown voltage of 210 V than Teflon AF 1600. Particularly, soft and highly compatible polyacrylate mainchain assigned five times much better adhesiveness than common adhesive tape, to PFMA layer. As a promising option, PFMA dielectric layer may further facilitate tremendous development of electrowetting performances and applications.

  3. Fourier transform infrared spectroscopy of D212CO in the 2500-4500 cm-1 region and the first rovibrational analysis of its v2 = 2 state

    Science.gov (United States)

    A'dawiah, Rabia'tul; Tan, T. L.; Ng, L. L.

    2018-03-01

    A low-resolution (0.5 cm-1) Fourier transform infrared (FTIR) spectrum of formaldehyde-d2 (D212CO) in the 2500-4500 cm-1 region was recorded to study the combination bands in this region. The bands ν2 +ν4,ν2 +ν6 , ν2 +ν3 , ν12 , ν2 +ν5 , 3ν3 , 2ν2 and 2ν5 were identified and their band centers (with an uncertainty of ± 0.1 cm-1) and band types were determined. Furthermore, the high-resolution FTIR spectrum of the 2ν2 overtone band (3315-3440 cm-1) of D212CO was recorded at an unapodized resolution of 0.0063 cm-1 and its infrared lines were analyzed. A total of 970 rovibrational transitions have been assigned and fitted up to J‧ = 35 and Ka‧ = 14 using the Watson's A-reduced Hamiltonian in the Ir representation. Upper state (v2 = 2) rovibrational constants inclusive of three rotational and five quartic centrifugal distortion constants were accurately determined for the first time. The band center of the 2ν2 band was determined as 3385.200666 ± 0.000035 cm-1. The rms deviation of the rovibrational fit was 0.00093 cm-1. From the fitting of 451 ground state combination differences (GSCDs) of D212CO which were derived from the infrared transitions of the 2ν2 band of this work, together with 360 microwave frequencies from a previous study, new and accurate ground state constants of D212CO up to three octic terms were obtained. The combination and overtone bands and the newly assigned high-resolution infrared lines of the 2ν2 band in the 2500-4500 cm-1 region can be used to detect D212CO in this infrared region. In addition, the results derived from this study give information on the rovibrational molecular structure of D212CO.

  4. IR absorption spectrum (4200-3100 cm-1) of H2O and (H2O)2 in CCl4. Estimates of the equilibrium constant and evidence that the atmospheric water absorption continuum is due to the water dimer

    International Nuclear Information System (INIS)

    Nicolaisen, Flemming M.

    2009-01-01

    IR absorption spectra, 4200-3100 cm -1 , of water in CCl 4 solutions are presented. It is shown that for saturated solutions significant amounts of water are present as dimer (ca. 2%). The IR spectra of the monomer and dimer are retrieved. The integrated absorption coefficients of the monomer absorption are significantly enhanced relative to the gas phase values. The dimer spectrum consists of 5 bands, of which 4 were expected from data from cold beams and cold matrices. The origin of the 'extra' band is discussed. In addition it is argued that the dimer absorption bands intensities must be enhanced relative to the gas phase values. Based on recent calculations of band strengths, and observed frequency shifts relative to the gas phase, the intensity enhancement factors are estimated as well as the monomer/dimer equilibrium constant in CCl 4 solution at T=296 K (K c =1.29 mol -1 L). It is noted that the observed dimer spectrum has a striking resemblance with the water vapour continuum determined by Burch in 1985 which was recently remeasured by Paynter et al. and it is concluded that the atmospheric water absorption continuum in the investigated spectral region must be due to water dimer. Based on the newly published spectral data a revised value of the gas phase equilibrium constant is suggested (K p =0.035 atm -1 at T=296 K) as well as a value for the standard enthalpy of formation, ΔH 0 =15.4 kJ mol -1 .

  5. Reactive carbon-chain molecules: synthesis of 1-diazo-2,4-pentadiyne and spectroscopic characterization of triplet pentadiynylidene (H-C[triple bond]C-:C-C[triple bond]C-H).

    Science.gov (United States)

    Bowling, Nathan P; Halter, Robert J; Hodges, Jonathan A; Seburg, Randal A; Thomas, Phillip S; Simmons, Christopher S; Stanton, John F; McMahon, Robert J

    2006-03-15

    1-Diazo-2,4-pentadiyne (6a), along with both monodeuterio isotopomers 6b and 6c, has been synthesized via a route that proceeds through diacetylene, 2,4-pentadiynal, and 2,4-pentadiynal tosylhydrazone. Photolysis of diazo compounds 6a-c (lambda > 444 nm; Ar or N2, 10 K) generates triplet carbenes HC5H (1) and HC5D (1-d), which have been characterized by IR, EPR, and UV/vis spectroscopy. Although many resonance structures contribute to the resonance hybrid for this highly unsaturated carbon-chain molecule, experiment and theory reveal that the structure is best depicted in terms of the dominant resonance contributor of penta-1,4-diyn-3-ylidene (diethynylcarbene, H-C[triple bond]C-:C-C[triple bond]C-H). Theory predicts an axially symmetric (D(infinity h)) structure and a triplet electronic ground state for 1 (CCSD(T)/ANO). Experimental IR frequencies and isotope shifts are in good agreement with computed values. The triplet EPR spectrum of 1 (absolute value(D/hc) = 0.6157 cm(-1), absolute value(E/hc) = 0.0006 cm(-1)) is consistent with an axially symmetric structure, and the Curie law behavior confirms that the triplet state is the ground state. The electronic absorption spectrum of 1 exhibits a weak transition near 400 nm with extensive vibronic coupling. Chemical trapping of triplet HC5H (1) in an O2-doped matrix affords the carbonyl oxide 16 derived exclusively from attack at the central carbon.

  6. Characterization of cucurbita maxima phloem serpin-1 (CmPS-1). A developmentally regulated elastase inhibitor.

    Science.gov (United States)

    Yoo, B C; Aoki, K; Xiang, Y; Campbell, L R; Hull, R J; Xoconostle-Cázares, B; Monzer, J; Lee, J Y; Ullman, D E; Lucas, W J

    2000-11-10

    We report on the molecular, biochemical, and functional characterization of Cucurbita maxima phloem serpin-1 (CmPS-1), a novel 42-kDa serine proteinase inhibitor that is developmentally regulated and has anti-elastase properties. CmPS-1 was purified to near homogeneity from C. maxima (pumpkin) phloem exudate and, based on microsequence analysis, the cDNA encoding CmPS-1 was cloned. The association rate constant (k(a)) of phloem-purified and recombinant His(6)-tagged CmPS-1 for elastase was 3.5 +/- 1.6 x 10(5) and 2.7 +/- 0.4 x 10(5) m(-)(1) s(-)(1), respectively. The fraction of complex-forming CmPS-1, X(inh), was estimated at 79%. CmPS-1 displayed no detectable inhibitory properties against chymotrypsin, trypsin, or thrombin. The elastase cleavage sites within the reactive center loop of CmPS-1 were determined to be Val(347)-Gly(348) and Val(350)-Ser(351) with a 3:2 molar ratio. In vivo feeding assays conducted with the piercing-sucking aphid, Myzus persicae, established a close correlation between the developmentally regulated increase in CmPS-1 within the phloem sap and the reduced ability of these insects to survive and reproduce on C. maxima. However, in vitro feeding experiments, using purified phloem CmPS-1, failed to demonstrate a direct effect on aphid survival. Likely roles of this novel phloem serpin in defense against insects/pathogens are discussed.

  7. H1-histamine receptors in the amygdala are involved in emotional memory but do not mediate anxiety-related behaviors in mice submitted to EPM testing.

    Science.gov (United States)

    Serafim, K R; Gianlorenço, A C L; Daher, F P; Mattioli, R

    2012-10-01

    This study investigated the role of amygdala H(1) receptors in state-dependent memory deficits induced by l-histidine (LH). Tests using an elevated plus-maze (EPM) were performed on two consecutive days: Trial 1 (T1) and Trial 2 (T2). Before each trial, mice were intraperitoneally (IP) injected with LH (500mg/kg). Two hours later, they were microinjected with the H(1) receptor antagonist, chlorpheniramine (CPA 0.016, 0.052, or 0.16 nmol/0.1μl), or saline (SAL) into the amygdala and submitted to the EPM. LH-CPA did not affect trial 1 performances in the EPM, which indicated that these drugs did not affect anxiety. Emotional memory, as revealed by a reduction in open arm exploration between both trials, was present in the SAL-SAL groups as well as in the SAL-CPA groups for the lower doses of CPA (0.016 and 0.052nmol). On the contrary, neither the LH-SAL group nor the LH-CPA groups exhibited this decrease in open arm activity between both trials, which reveals that LH impaired emotional memory. While intra-amygdalar CPA did not interact with LH effect, it impaired per se the emotional memory performances at the highest dose (0.16nmol). No significant changes were observed in the number of enclosed arm entries (EAE), an EPM index of general exploratory activity. These results may be attributed to a combined effect in the different nucleus of the amygdala. Taken together, these results suggest that the H(1) receptors in the amygdala are not implicated in anxiety-like behaviors but are involved in emotional states induced by the T1/T2 EPM protocol in mice. Copyright © 2012 Elsevier Inc. All rights reserved.

  8. GaAs micromachining in the 1 H2SO4:1 H2O2:8 H2O system. From anisotropy to simulation

    Science.gov (United States)

    Tellier, C. R.

    2011-02-01

    The bulk micromachining on (010), (110) and (111)A GaAs substrates in the 1 H2SO4:1 H2O2:8 H2O system is investigated. Focus is placed on anisotropy of 3D etching shapes with a special emphasis on convex and concave undercuts which are of prime importance in the wet micromachining of mechanical structures. Etched structures exhibit curved contours and more and less rounded sidewalls showing that the anisotropy is of type 2. This anisotropy can be conveniently described by a kinematic and tensorial model. Hence, a database composed of dissolution constants is further determined from experiments. A self-elaborated simulator which works with the proposed database is used to derive theoretical 3D shapes. Simulated shapes agree well with observed shapes of microstructures. The successful simulations open up two important applications for MEMS: CAD of mask patterns and meshing of simulated shapes for FEM simulation tools.

  9. Low-amplitude clustering in low-redshift 21-cm intensity maps cross-correlated with 2dF galaxy densities

    Science.gov (United States)

    Anderson, C. J.; Luciw, N. J.; Li, Y.-C.; Kuo, C. Y.; Yadav, J.; Masui, K. W.; Chang, T.-C.; Chen, X.; Oppermann, N.; Liao, Y.-W.; Pen, U.-L.; Price, D. C.; Staveley-Smith, L.; Switzer, E. R.; Timbie, P. T.; Wolz, L.

    2018-05-01

    We report results from 21-cm intensity maps acquired from the Parkes radio telescope and cross-correlated with galaxy maps from the 2dF galaxy survey. The data span the redshift range 0.057 clustering of neutral hydrogen (H I), a small correlation coefficient between optical galaxies and H I, or some combination of the two. Separating 2dF into red and blue galaxies, we find that red galaxies are much more weakly correlated with H I on k ˜ 1.5 h Mpc-1 scales, suggesting that H I is more associated with blue star-forming galaxies and tends to avoid red galaxies.

  10. (C2N2H10)[Fe xV1-x(HPO3)F3] (x = 0.44, 0.72): Two new organically templated phosphites

    International Nuclear Information System (INIS)

    Cisneros, Jose L.; Fernandez-Armas, Sergio; Mesa, Jose L.; Pizarro, Jose L.; Arriortua, Maria I.; Rojo, Teofilo

    2006-01-01

    (C 2 N 2 H 10 )[Fe x V 1-x (HPO 3 )F 3 ] (x = 0.44, 0.72) have been synthesized using mild solvothermal conditions under autogenous pressure and the ethylenediamine molecule as templating agent. The crystal structures have been determined from X-ray single-crystal diffraction data. The compounds crystallize in the orthorhombic P2 1 2 1 2 1 space group with Z = 4 and unit-cell parameters a = 12.8494(9), b = 9.5430(6), c = 6.4372(5) A, and a = 12.8578(1), b = 9.5342(1), c = 6.4370(7) A for (C 2 N 2 H 10 )[Fe 0.44 V 0.56 (HPO 3 )F 3 ] and (C 2 N 2 H 10 )[Fe 0.72 V 0.28 (HPO 3 )F 3 ] (1) and (2), respectively. These isostructural compounds exhibit a monodimensional crystal structure formed by pillared double anionic chains with the formula [M(HPO 3 )F 3 ] 2- , extended along the [0 0 1] direction. These doubled ionic chains are the result of the linking of two simple chains in which there are alternating octahedral [MO 3 F 3 ] and tetrahedral groups [HPO 3 ]. The ethylendiammonium cations are placed in the space delimited by three different chains. The metallic ions are interconnected by the pseudo-pyramidal (HPO 3 ) 2- phosphite oxoanions, adopting a slightly distorted octahedral geometry. The IR spectra show bands corresponding to the phosphite oxoanion and the ethylendiamonium cation at 2400 and 1600 cm -1 , respectively. The thermogravimetric analyses show that these phases are stable up to ca. 280 deg. C, at higher temperatures, the decomposition of the crystal structure begins by calcination of the organic cation and the elimination of the fluoride anions. The diffuse reflectance spectra show bands of the V 3+ ion (d 2 ) in octahedral symmetry. The values of the Dq (1540, 1540 cm -1 ), and Racah parameters, B (560, 535 cm -1 ) and C (3055, 3140 cm -1 ) for (1) and (2), respectively, correspond with those usually found for octahedrically coordinated V(III) compounds. Magnetic measurements, performed on a powered sample from 5.0 to 300 K at 1000 G, in the ZFC and

  11. Observations of interstellar H2O emission at 183 Gigahertz

    International Nuclear Information System (INIS)

    Waters, J.W.; Gustincic, J.J.; Kakar, R.K.; Kuiper, T.B.H.; Roscoe, H.K.; Swanson, P.N.; Rodriguez Kuiper, E.N.; Kerr, A.R.; Thaddeus, P.

    1980-01-01

    Line emission at 183 GHz by the 3 13 --2 20 rotational transition of water vapor has been detected from the Orion Nebula with the NASA Kuiper Airborne Observatory 91 cm telescope. The peak antenna temperature of the line is 15 K, its LSR velocity is 8 km s -1 , and its width is 15 km s -1 . The velocity profile has characteristics similar to those for CO:a narrow (approx.4 km s -1 ) ''spike'' centered at 9.5 km s -1 and a broad ''plateau'' with flaring wings centered at approx.8 km s -1 . Our 7'.5 antenna beam did not resolve the source. The 183 GHz H 2 O plateau emission appears enhanced above that expected for thermal excitation if it originates from the no greater than 1' region characteristic of plateau emission from all other observed molecules. The spike emission is consistent with an optically thick source of the approximated size of the well-known molecular ridge in Orion having the H 2 O in thermal equilibrium at Tapprox. =50 K. If this is the case, then the H 2 O column density giving rise to the spike is N/sub H/2/sub O/> or =3 x 10 17 cm -2 . An excitation calculation implies N/sub H/2/sub O/approx. =10 18 cm -2 for a source the size of the molecular ridge. These results imply that H 2 O is one of the more abundant species in the Orion Molecualr Cloud.H 2 O emission at 183 GHz was not detected in Sgr A, Sgr B2, W3, W43, W49, W51, DR 21, NGC 1333, NGC 7027, GL 2591, or the rho Oph cloud; it may have been detected in M17

  12. Experimental Line List of Water Vapor Absorption Lines in the Spectral Ranges 1850 - 2280 CM-1 and 2390-4000 CM-1

    Science.gov (United States)

    Loos, Joep; Birk, Manfred; Wagner, Georg

    2017-06-01

    A new experimental line parameter list of water vapor absorption lines in the spectral ranges 1850 - 2280 cm-1 and 2390 - 4000 cm-1 is presented. The line list is based on the analysis of several transmittance spectra measured using a Bruker IFS 125 HR high resolution Fourier transform spectrometer. A total of 54 measurements of pure water and water/air-mixtures at 296 K as well as water/air-mixtures at high and low temperatures were performed. A multispectrum fitting approach was used applying a quadratic speed-dependent hard collision line shape model in the Hartmann-Tran implementation extended to account for line mixing in the Rosenkranz approximation in order to retrieve line positions, intensities, self- and air-broadening parameters, their speed-dependence, self- and air-shifts as well as line mixing and in some cases collisional narrowing parameters. Additionally, temperature dependence parameters for widths, shifts and in a few cases line mixing were retrieved. For every parameter an extensive error estimation calculation was performed identifying and specifying systematic error sources. The resulting parameters are compared to the databases HITRAN12 as well as experimental values. For intensities, a detailed comparison to results of recent ab initio calculations performed at University College London was done showing an agreement within 2 % for a majority of the data. However, for some bands there are systematic deviations attributed to ab initio calculation errors. .H. Ngo et al. JQSRT 129, 89-100 (2013) doi:10.1016/j.jqsrt.2013.05.034; JQSRT 134, 105 (2014) doi:10.1016/j.jqsrt.2013.10.016. H. Tran et al. JQSRT 129, 199-203 (2013) doi:10.1016/j.jqsrt.2013.06.015; JQSRT 134, 104 (2014) doi:10.1016/j.jqsrt.2013.10.015. L.S. Rothman et al. JQSRT 130, 4-50 (2013) doi:10.1016/j.jqsrt.2013.07.002. N. Jacquinet-Husson et al. JMS 112, 2395-2445 (2016) doi:10.1016/j.jms.2016.06.007.

  13. Synthesis of N-(5-(Substitutedphenyl-4,5-dihydro-1H-pyrazol-3-yl-4H-1,2,4-triazol-4-amine from 4-Amino-4H-1,2,4-triazole

    Directory of Open Access Journals (Sweden)

    Ashvin D. Panchal

    2011-01-01

    Full Text Available N-(4H-1,2,4-Triazol-4-ylacetamide (2 were prepared by reaction of 4-amino-4H-1,2,4-triazole (1 with acetyl chloride in dry benzene. It has been reacted with various aromatic aldehyde to afford 3-(substitutedphenyl-N-(4H-1,2,4-triazol-4-ylacrylamide (3a-e. The synthesis of N-(5-substitutedphenyl-4,5-dihydro-1H-pyrazol-3-yl-4H-1,2,4-triazol-4-amine (4a-e is achieved by the cyclisation of 3a-e with hydrazine hydrate in ethanol. The structures of synthesized compounds were characterized by 1H NMR and IR spectroscopic studies. The purity of the compounds was checked by thin layer chromatography.

  14. 1-Propyl-1H-indole-2,3-dione

    Directory of Open Access Journals (Sweden)

    Fatima Zahrae Qachchachi

    2016-04-01

    Full Text Available In the title compound, C11H11NO2, the 1H-indole-2,3-dione unit is essentially planar, with an r.m.s. deviation of 0.0387 (13 Å. This plane makes a dihedral angle of 72.19 (17° with the plane of the propyl substituent. In the crystal, chains propagating along the b axis are formed through C—H...O hydrogen bonds.

  15. Pyrrolophenanthridines. I. Synthesis of 2!H and 13C NMR spectra of 1H-pyrrolo[2,3-c]- and 1H-pyrrolo[3,2-i]-phenanthridines

    International Nuclear Information System (INIS)

    Frolova, E.P.; Akhvlediani, R.N.; Krasnokut-skii, S.N.; Kurkovskaya, L.N.; Suvorov, N.N.

    1987-01-01

    A preparative method is proposed for the synthesis of 3- and 8-aminophenanthridines, from which the new heterocyclic systems 1H-pyrrolo[2,3-c]- and 1H-pyrrolo[3,2-i]phenanthridines were synthesized by means of the Fischer reaction

  16. Synthesis of 9H-indeno [1, 2-b] pyrazine and 11H-indeno [1, 2-b] quinoxaline derivatives in one-step reaction from 2-bromo-4-chloro-1-indanone

    OpenAIRE

    Jasouri, S.; Khalafy, J.; Badali, M.; Prager, R.H.

    2011-01-01

    The reaction of 2-bromo-4-chloro-1-indanone with 2,3-diaminomaleonitrile, benzene-1,2-diamine and 4-methylbenzene-1,2-diamine in glacial acetic acid gave 8-chloro-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 1-chloro-11H-indeno[1,2-b]quinoxa-line and 1-chloro-7-methyl-11H-indeno[1,2-b]quinoxaline, respectively, in good yield.

  17. Observation of stimulated Raman scattering in polar tetragonal crystals of barium antimony tartrate trihydrate, Ba[Sb{sub 2}((+)C{sub 4}H{sub 2}O{sub 6}){sub 2}].3H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Kaminskii, Alexander A. [Institute of Crystallography, Russian Academy of Sciences, Moscow (Russian Federation); Rhee, Hanjo; Eichler, Hans J.; Lux, Oliver [Institute of Optics and Atomic Physics, Technical University of Berlin (Germany); Nemec, Ivan [Department of Inorganic Chemistry, Faculty of Science, Charles University, Prague (Czech Republic); Yoneda, Hitoki; Shirakawa, Akira [Institute for Laser Science, University of Electro-Communications, Tokyo (Japan); Becker, Petra; Bohaty, Ladislav [Section Crystallography, Institute of Geology and Mineralogy, University of Cologne (Germany)

    2017-04-15

    The non-centrosymmetric polar tetragonal (P4{sub 1}) barium antimony tartrate trihydrate, Ba[Sb{sub 2}((+)C{sub 4}H{sub 2}O{sub 6}){sub 2}].3H{sub 2}O, was found to be an attractive novel semi-organic crystal manifesting numerous χ{sup (2)}- and χ{sup (3)}-nonlinear optical interactions. In particular, with picosecond single- and dual-wavelength pumping SHG and THG via cascaded parametric four-wave processes were observed. High-order Stokes and anti-Stokes lasing related to two SRS-promoting vibration modes of the crystal, with ω{sub SRS1} ∼ 575 cm{sup -1} and ω{sub SRS2} ∼ 2940 cm{sup -1}, takes place. Basing on a spontaneous Raman investigation an assignment of the two SRS-active vibration modes is discussed. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. 4-CM2 CuInGaSe2 based solar cells

    International Nuclear Information System (INIS)

    Devaney, W.E.; Stewart, J.M.; Chen, W.S.

    1990-01-01

    This paper reports that polycrystalline thin-film solar cells with the structure ZnO/CdZnS/CuInGaSe 2 have been fabricated with larger single cell areas than have been previously reported. A cell of area 4-cm 2 has been made with an Am1.5, 100 mW/cm 2 total area conversion efficiency of (11.1% 912.0% active area) and AMO conversion efficiency of 10.0% (10.9% active area). The CuInGaSe 2 layer had a gallium to indium ratio of 0.26:0.74 with a band gap of approximately 1.15 eV. The cells use an isolated tab design for the negative (grid) contact, demonstrating the ability to pattern the semiconductor layers. Such CuInGaSe 2 based cells may be suitable both for large area terrestrial applications and for single-junction space cell applications

  19. Understanding Am3+/Cm3+ separation with H4TPAEN and its hydrophilic derivatives: a quantum chemical study.

    Science.gov (United States)

    Huang, Pin-Wen; Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Song, Gang; Chai, Zhi-Fang; Shi, Wei-Qun

    2018-05-10

    Am3+/Cm3+ separation is an extremely hard but important task in nuclear waste treatment. In this study, Am and Cm complexes formed with a back-extraction agent N,N,N',N'-tetrakis[(6-carboxypyridin-2-yl)methyl]ethylene-diamine (H4TPAEN) and its two derivatives with hydrophilic substituents (methoxy and morpholine groups) were investigated using the density functional theory (DFT). The optimized geometrical structures indicated that the Am3+ cation matched better with the cavities of the three studied ligands than Cm3+, and the Am3+ cations were located deeper in the cavities of the ligands. The bond order and quantum theory of atoms in molecules (QTAIM) analyses suggested that ionic interactions dominated An-N and An-O (An = Cm and Am) bonds. However, weak and different extents of partial covalency could also be found in the Am-N and Cm-N bonds. The O donor atoms in the carboxylate groups preferably coordinated with Cm3+ rather than Am3+, whereas the N atoms preferred Am3+. Therefore, the Am3+/Cm3+ selectivity of H4TPAEN and its two hydrophilic derivatives may be ascribed to the competition between the An-N and An-O interactions and the few dissimilarities in their geometrical structures. Based on our calculations, the methoxy and morpholine groups in the two derivatives can serve as electron-donating groups and enhance the strength of the An-NPY bonds (NPY denotes the nitrogen atom of pyridine ring). When compared with the Am-complex, the Cm-complex exhibited significant strength effect, resulting in the relatively lower Am3+/Cm3+ separation ability of the H4TPAEN's hydrophilic derivatives.

  20. Effect of coatings on long term behaviour of a commercial stainless steel for solid oxide electrolyser cell interconnect application in H2/H2O atmosphere

    International Nuclear Information System (INIS)

    Ardigo, M.R.; Popa, I.; Chevalier, S.; Girardon, P.; Perry, F.; Laucournet, R.; Brevet, A.; Desgranges, C.

    2014-01-01

    K41X (AISI 441) stainless steel evidenced a high electrical conductivity after 3000 h ageing in H 2 /H 2 O side when used as interconnect for solid oxide electrolyser cells (SOEC) working at 800 C. Perovskite (La 1-x Sr x MnO 3-δ ) and spinel (Co 3 O 4 ) oxides coatings were applied on the surface of the ferritic steel for ageing at 800 C for 3000 h. Both coatings improved the behaviour of the steel and give interesting opportunities to use the K41X steel as interconnect for hydrogen production via high temperature steam electrolysis. Co 3 O 4 reduced into Co leading to a very good Area Specific Resistance (ASR) parameter, 0.038 Ωcm 2 . Despite a good ASR (0.06 Ωcm 2 ), La 1-x Sr x MnO 3-δ was less promising because it partially decomposed into MnO and La 2 O 3 during ageing in H 2 /H 2 O atmosphere. (authors)

  1. Genetic Characterization of H1N1 and H1N2 Influenza A Viruses Circulating in Ontario Pigs in 2012.

    Science.gov (United States)

    Grgić, Helena; Costa, Marcio; Friendship, Robert M; Carman, Susy; Nagy, Éva; Poljak, Zvonimir

    2015-01-01

    The objective of this study was to characterize H1N1 and H1N2 influenza A virus isolates detected during outbreaks of respiratory disease in pig herds in Ontario (Canada) in 2012. Six influenza viruses were included in analysis using full genome sequencing based on the 454 platform. In five H1N1 isolates, all eight segments were genetically related to 2009 pandemic virus (A(H1N1)pdm09). One H1N2 isolate had hemagglutinin (HA), polymerase A (PA) and non-structural (NS) genes closely related to A(H1N1)pdm09, and neuraminidase (NA), matrix (M), polymerase B1 (PB1), polymerase B2 (PB2), and nucleoprotein (NP) genes originating from a triple-reassortant H3N2 virus (tr H3N2). The HA gene of five Ontario H1 isolates exhibited high identity of 99% with the human A(H1N1)pdm09 [A/Mexico/InDRE4487/09] from Mexico, while one Ontario H1N1 isolate had only 96.9% identity with this Mexican virus. Each of the five Ontario H1N1 viruses had between one and four amino acid (aa) changes within five antigenic sites, while one Ontario H1N2 virus had two aa changes within two antigenic sites. Such aa changes in antigenic sites could have an effect on antibody recognition and ultimately have implications for immunization practices. According to aa sequence analysis of the M2 protein, Ontario H1N1 and H1N2 viruses can be expected to offer resistance to adamantane derivatives, but not to neuraminidase inhibitors.

  2. Communication: Rovibrationally selected absolute total cross sections for the reaction H{sub 2}O{sup +}(X{sup 2}B{sub 1}; v{sub 1}{sup +}v{sub 2}{sup +}v{sub 3}{sup +}= 000; N{sup +}{sub Ka+Kc+)}+ D{sub 2}: Observation of the rotational enhancement effect

    Energy Technology Data Exchange (ETDEWEB)

    Xu Yuntao; Xiong Bo; Chang, Yih Chung; Ng, C. Y. [Department of Chemistry, University of California, Davis, California 95616 (United States)

    2012-12-28

    By employing the newly established vacuum ultraviolet laser pulsed field ionization-photoion (PFI-PI) double quadrupole-double octopole ion guide apparatus, we have measured the rovibrationally selected absolute total cross sections of the ion-molecule reaction H{sub 2}O{sup +}(X{sup 2}B{sub 1}; v{sub 1}{sup +}v{sub 2}{sup +}v{sub 3}{sup +}= 000; N{sup +}{sub Ka+Kc+)}+ D{sub 2}{yields} H{sub 2}DO{sup +}+ D in the center-of-mass collision energy (E{sub cm}) range of 0.05-10.00 eV. The pulsing scheme used for the generation of PFI-PIs has made possible the preparation of reactant H{sub 2}O{sup +}(X{sup 2}B{sub 1}; v{sub 1}{sup +}v{sub 2}{sup +}v{sub 3}{sup +}= 000) ions in single N{sup +}{sub Ka+Kc+} rotational levels with high kinetic energy resolutions. The absolute total cross sections observed in different N{sup +}{sub Ka+Kc+} levels with rotational energies in the range of 0-200 cm{sup -1} were found to exhibit a significant rotational enhancement on the reactivity for the titled reaction. In contrast, the measured cross sections reveal a decreasing trend with increasing E{sub cm}, indicating that the rotational enhancement observed is not a total energy effect, but a dynamical effect. Furthermore, the rotational enhancement is found to be more pronounced as E{sub cm} is decreased. This experiment provided evidence that the coupling of the core rotational angular momentum with the orbital angular momentum could play a role in chemical reactivity, particularly at low E{sub cm}.

  3. Long-term Variability of H2CO Masers in Star-forming Regions

    Science.gov (United States)

    Andreev, N.; Araya, E. D.; Hoffman, I. M.; Hofner, P.; Kurtz, S.; Linz, H.; Olmi, L.; Lorran-Costa, I.

    2017-10-01

    We present results of a multi-epoch monitoring program on variability of 6 cm formaldehyde (H2CO) masers in the massive star-forming region NGC 7538 IRS 1 from 2008 to 2015, conducted with the Green Bank Telescope, the Westerbork Radio Telescope , and the Very Large Array. We found that the similar variability behaviors of the two formaldehyde maser velocity components in NGC 7538 IRS 1 (which was pointed out by Araya and collaborators in 2007) have continued. The possibility that the variability is caused by changes in the maser amplification path in regions with similar morphology and kinematics is discussed. We also observed 12.2 GHz methanol and 22.2 GHz water masers toward NGC 7538 IRS 1. The brightest maser components of CH3OH and H2O species show a decrease in flux density as a function of time. The brightest H2CO maser component also shows a decrease in flux density and has a similar LSR velocity to the brightest H2O and 12.2 GHz CH3OH masers. The line parameters of radio recombination lines and the 20.17 and 20.97 GHz CH3OH transitions in NGC 7538 IRS 1 are also reported. In addition, we observed five other 6 cm formaldehyde maser regions. We found no evidence of significant variability of the 6 cm masers in these regions with respect to previous observations, the only possible exception being the maser in G29.96-0.02. All six sources were also observed in the {{{H}}}213{CO} isotopologue transition of the 6 cm H2CO line; {{{H}}}213{CO} absorption was detected in five of the sources. Estimated column density ratios [{{{H}}}212{CO}]/[{{{H}}}213{CO}] are reported.

  4. Identification of Human H1N2 and Human-Swine Reassortant H1N2 and H1N1 Influenza A Viruses among Pigs in Ontario, Canada (2003 to 2005)†

    OpenAIRE

    Karasin, Alexander I.; Carman, Suzanne; Olsen, Christopher W.

    2006-01-01

    Since 2003, three novel genotypes of H1 influenza viruses have been recovered from Canadian pigs, including a wholly human H1N2 virus and human-swine reassortants. These isolates demonstrate that human-lineage H1N2 viruses are infectious for pigs and that viruses with a human PB1/swine PA/swine PB2 polymerase complex can replicate in pigs.

  5. Microwave assisted synthesis and antimicrobial activity of novel 1-[1/2-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethoxy-naphthalen-2/1-yl]-3-(1-phenyl-3-aryl-1H-pyrazol-4-yl-propenones

    Directory of Open Access Journals (Sweden)

    Dongamanti Ashok

    2015-06-01

    Full Text Available A series of novel 1-[1/2-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethoxy-naphthalen-2/1-yl]-3-(1-phenyl-3-aryl-1H-pyrazol-4-yl-propenones were design and synthesized by Click reaction followed by Claisen-Schmidt condensation under microwave irradiation and conventional heating methods. The structures of newly synthesized compounds have been established on the basis of elemental analysis, IR, 1H & 13C NMR and mass spectral data. All the compounds were screened for their antimicrobial activity.

  6. Genetic Characterization of H1N1 and H1N2 Influenza A Viruses Circulating in Ontario Pigs in 2012.

    Directory of Open Access Journals (Sweden)

    Helena Grgić

    Full Text Available The objective of this study was to characterize H1N1 and H1N2 influenza A virus isolates detected during outbreaks of respiratory disease in pig herds in Ontario (Canada in 2012. Six influenza viruses were included in analysis using full genome sequencing based on the 454 platform. In five H1N1 isolates, all eight segments were genetically related to 2009 pandemic virus (A(H1N1pdm09. One H1N2 isolate had hemagglutinin (HA, polymerase A (PA and non-structural (NS genes closely related to A(H1N1pdm09, and neuraminidase (NA, matrix (M, polymerase B1 (PB1, polymerase B2 (PB2, and nucleoprotein (NP genes originating from a triple-reassortant H3N2 virus (tr H3N2. The HA gene of five Ontario H1 isolates exhibited high identity of 99% with the human A(H1N1pdm09 [A/Mexico/InDRE4487/09] from Mexico, while one Ontario H1N1 isolate had only 96.9% identity with this Mexican virus. Each of the five Ontario H1N1 viruses had between one and four amino acid (aa changes within five antigenic sites, while one Ontario H1N2 virus had two aa changes within two antigenic sites. Such aa changes in antigenic sites could have an effect on antibody recognition and ultimately have implications for immunization practices. According to aa sequence analysis of the M2 protein, Ontario H1N1 and H1N2 viruses can be expected to offer resistance to adamantane derivatives, but not to neuraminidase inhibitors.

  7. In Silico Identification of Highly Conserved Epitopes of Influenza A H1N1, H2N2, H3N2, and H5N1 with Diagnostic and Vaccination Potential

    Directory of Open Access Journals (Sweden)

    José Esteban Muñoz-Medina

    2015-01-01

    Full Text Available The unpredictable, evolutionary nature of the influenza A virus (IAV is the primary problem when generating a vaccine and when designing diagnostic strategies; thus, it is necessary to determine the constant regions in viral proteins. In this study, we completed an in silico analysis of the reported epitopes of the 4 IAV proteins that are antigenically most significant (HA, NA, NP, and M2 in the 3 strains with the greatest world circulation in the last century (H1N1, H2N2, and H3N2 and in one of the main aviary subtypes responsible for zoonosis (H5N1. For this purpose, the HMMER program was used to align 3,016 epitopes reported in the Immune Epitope Database and Analysis Resource (IEDB and distributed in 34,294 stored sequences in the Pfam database. Eighteen epitopes were identified: 8 in HA, 5 in NA, 3 in NP, and 2 in M2. These epitopes have remained constant since they were first identified (~91 years and are present in strains that have circulated on 5 continents. These sites could be targets for vaccination design strategies based on epitopes and/or as markers in the implementation of diagnostic techniques.

  8. Uranium sandwich targets of 0.1 to 100 mg.cm-2 prepared by electron beam gun evaporation

    International Nuclear Information System (INIS)

    Folger, H.; Klemm, J.

    1978-01-01

    Metallic uranium layers of 0.1 to 100 mg.cm -2 between different backings and protecting layers were prepared for bombardments with heavy ions such as argon, krypton, xenon, lead, or uranium at energies of up to 8 MeV/u at the UNILAC of the GSI. An experimental set-up for the preparation of thick and oxygen-free sandwich targets using a 6 kVA electron beam gun was installed in a high vacuum apparatus. Then deposition and evaporation rates for uranium were investigated as a function of the electron beam gun power. It turned out that reproducible evaporation rates of up to 7 mg.s -1 were achieved when uranium pieces of 20 to 40 grams were used. Specific evaporation rates and vapor pressures for different temperatures were calculated. Some of these data are compared to measured values, especially evaporation rates at the evaporation point. The preparation, composition, and usage of uranium sandwich targets is described in detail. It concerns uranium layers of 0.1 to 100 mg.cm -2 deposited onto backings of carbon, titanium, nickel, gold, or glass. Evaporated films of carbon, titanium, nickel, or gold of 0.01 to 0.2 mg.cm -2 are used to protect the uranium layers from oxidation

  9. Experimental and DFT studies on the vibrational spectra of 1H-indene-2-boronic acid

    Science.gov (United States)

    Alver, Özgur; Kaya, Mehmet Fatih

    2014-11-01

    Stable conformers and geometrical molecular structures of 1H-indene-2-boronic acid (I-2B(OH)2) were studied experimentally and theoretically using FT-IR and FT-Raman spectroscopic methods. FT-IR and FT-Raman spectra were recorded in the region of 4000-400 cm-1, and 3700-400 cm-1, respectively. The optimized geometric structures were searched by Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-31++G(d,p) basis set. Vibrational wavenumbers of I-2B(OH)2 were calculated using B3LYP density functional methods including 6-31++G(d,p) basis set. Experimental and theoretical results show that density functional B3LYP method gives satisfactory results for predicting vibrational wavenumbers except OH stretching modes which is probably due to increasing unharmonicity in the high wave number region and possible intra and inter molecular interaction at OH edges. To support the assigned vibrational wavenumbers, the potential energy distribution (PED) values were also calculated using VEDA 4 (Vibrational Energy Distribution Analysis) program.

  10. GFDL's CM2 global coupled climate models. Part I: Formulation and simulation characteristics

    Science.gov (United States)

    Delworth, T.L.; Broccoli, A.J.; Rosati, A.; Stouffer, R.J.; Balaji, V.; Beesley, J.A.; Cooke, W.F.; Dixon, K.W.; Dunne, J.; Dunne, K.A.; Durachta, J.W.; Findell, K.L.; Ginoux, P.; Gnanadesikan, A.; Gordon, C.T.; Griffies, S.M.; Gudgel, R.; Harrison, M.J.; Held, I.M.; Hemler, R.S.; Horowitz, L.W.; Klein, S.A.; Knutson, T.R.; Kushner, P.J.; Langenhorst, A.R.; Lee, H.-C.; Lin, S.-J.; Lu, J.; Malyshev, S.L.; Milly, P.C.D.; Ramaswamy, V.; Russell, J.; Schwarzkopf, M.D.; Shevliakova, E.; Sirutis, J.J.; Spelman, M.J.; Stern, W.F.; Winton, M.; Wittenberg, A.T.; Wyman, B.; Zeng, F.; Zhang, R.

    2006-01-01

    The formulation and simulation characteristics of two new global coupled climate models developed at NOAA's Geophysical Fluid Dynamics Laboratory (GFDL) are described. The models were designed to simulate atmospheric and oceanic climate and variability from the diurnal time scale through multicentury climate change, given our computational constraints. In particular, an important goal was to use the same model for both experimental seasonal to interannual forecasting and the study of multicentury global climate change, and this goal has been achieved. Tw o versions of the coupled model are described, called CM2.0 and CM2.1. The versions differ primarily in the dynamical core used in the atmospheric component, along with the cloud tuning and some details of the land and ocean components. For both coupled models, the resolution of the land and atmospheric components is 2?? latitude ?? 2.5?? longitude; the atmospheric model has 24 vertical levels. The ocean resolution is 1?? in latitude and longitude, with meridional resolution equatorward of 30?? becoming progressively finer, such that the meridional resolution is 1/3?? at the equator. There are 50 vertical levels in the ocean, with 22 evenly spaced levels within the top 220 m. The ocean component has poles over North America and Eurasia to avoid polar filtering. Neither coupled model employs flux adjustments. The co ntrol simulations have stable, realistic climates when integrated over multiple centuries. Both models have simulations of ENSO that are substantially improved relative to previous GFDL coupled models. The CM2.0 model has been further evaluated as an ENSO forecast model and has good skill (CM2.1 has not been evaluated as an ENSO forecast model). Generally reduced temperature and salinity biases exist in CM2.1 relative to CM2.0. These reductions are associated with 1) improved simulations of surface wind stress in CM2.1 and associated changes in oceanic gyre circulations; 2) changes in cloud tuning and

  11. High resolution polarimetry of the Sun at 3. 7 and 11. 1 cm wavelengths. [Stokes parameters, polarization

    Energy Technology Data Exchange (ETDEWEB)

    Lang, K R [Tufts Univ., Medford, Mass. (USA). Dept. of Physics

    1977-04-01

    The four Stokes parameters are presented for interferometric observations of the Sun at wavelengths of lambda=3.7 cm and lambda=11 cm with angular resolutions between 2.7 and 36.7 seconds of arc. An H..cap alpha.. solar flare of importance SN and type C has a radio wavelength (lambda=3.7 cm) size of 5 seconds of arc, a flux density of 0.3 x 10/sup -22/Wm/sup -2/Hz/sup -1/, and a brightness temperature on the order of 10/sup 7/K. The radio flare is 30% left circularly polarized at lambda=3.7 cm, 70% left circularly polarized at lambda=11 cm, and no detectable linear polarization was observed at either wavelength. During a forty hour observation of sunspot region McMath No 13926 no substantial variations in circular polarization were observed, whereas one hour prior to the eruption of a solar flare dramatic changes in circular polarization were observed. Small scale features whose angular sizes are on the order of five seconds of arc exhibit changes of circular polarization of up to 80%. At times other than those immediately preceding flare emission, the degree of circular polarization was the same as the two wavelengths but the sign was reversed. This situation can be explained if magnetic fields of intensity H<=1000 G and electron densities of Nsub(e)>=10/sup 7/cm/sup -3/ are present.

  12. Characterization of a metal resistant Pseudomonas sp. isolated from uranium mine for its potential in heavy metal (Ni2+, Co2+, Cu2+, and Cd2+) sequestration.

    Science.gov (United States)

    Choudhary, Sangeeta; Sar, Pinaki

    2009-05-01

    Heavy metal sequestration by a multimetal resistant Pseudomonas strain isolated from a uranium mine was characterized for its potential application in metal bioremediation. 16S rRNA gene analysis revealed phylogenetic relatedness of this isolate to Pseudomonas fluorescens. Metal uptake by this bacterium was monophasic, fast saturating, concentration and pH dependent with maximum loading of 1048 nmol Ni(2+) followed by 845 nmol Co(2+), 828 nmol Cu(2+) and 700 nmol Cd(2+)mg(-1) dry wt. Preferential metal deposition in cell envelope was confirmed by TEM and cell fractionation. FTIR spectroscopy and EDX analysis revealed a major role of carboxyl and phosphoryl groups along with a possible ion exchange mechanism in cation binding. Binary system demonstrated selective metal binding affinity in the order of Cu(2+)>Ni(2+)>Co(2+)>Cd(2+). A comparison with similar metal uptake reports considering live bacteria strongly indicated the superiority of this strain in metal sequestration, which could be useful for developing efficient metal removal system.

  13. Different reaction of the core histones H2A and H2B to red laser irradiation

    Science.gov (United States)

    Brill, G. E.; Egorova, A. V.; Bugaeva, I. O.; Postnov, D. E.; Ushakova, O. V.

    2017-03-01

    Analysis of the influence of red laser irradiation on the processes of self-assembly of the core histones H2A and H2B was performed using a wedge dehydration method. Image-analysis of facies included their qualitative characteristics and calculation of quantitative parameters with subsequent statistical processing. It was established that linearly polarized red laser light (λ - 660 nm, 1 J/cm2) significantly modified the process of self-assembly of core histone H2B, whereas the structure of the facies of H2A histone changed to a lesser extent. Histones were used in the form of aqueous salt solutions. The effect of red light seems to result from the formation of singlet oxygen by direct laser excitation of molecular oxygen.

  14. 2-cm versus 4-cm surgical excision margins for primary cutaneous melanoma thicker than 2 mm: a randomised, multicentre trial

    DEFF Research Database (Denmark)

    Gillgren, Peter; Drzewiecki, Krzysztof T; Niin, Marianne

    2011-01-01

    Optimum surgical resection margins for patients with clinical stage IIA-C cutaneous melanoma thicker than 2 mm are controversial. The aim of the study was to test whether survival was different for a wide local excision margin of 2 cm compared with a 4-cm excision margin.......Optimum surgical resection margins for patients with clinical stage IIA-C cutaneous melanoma thicker than 2 mm are controversial. The aim of the study was to test whether survival was different for a wide local excision margin of 2 cm compared with a 4-cm excision margin....

  15. Effects of electron irradiation and temperature on 1 ohm-cm and 10 ohm-cm silicon solar cells

    Science.gov (United States)

    Nicoletta, C. A.

    1973-01-01

    One OHM-cm and 10 OHM-cm silicon solar cells were exposed to 1.0 MeV electrons at a fixed flux of 10 to the 11th power e/sq cm/sec and fluences of 10 to the 13th power, 10 to the 14th power and 10 to the 15th power e/sq.cm. 1-V curves of the cells were made at room temperature, - 63 C and + or - 143 C after each irradiation. A value of 139.5 mw/sq cm was used as AMO incident energy rate per unit area. The 10 OHM-cm cells appear more efficient than 1 OHM-cm cells after exposure to a fluence greater than 10 to the 14th power e/sq cm. The 1.0 MeV electron damage coefficients for both 1 OHM-cm and 10 OHM-cm cells are somewhat less than those for previously irradiated cells at room temperature. The values of the damage coefficients increase as the cell temperatures decrease. Efficiencies pertaining to maximum power output are about the same as those of n on p silicon cells evaluated previously.

  16. Vibrational and cascade dissociation of H{sub 2}{sup +} ions by collision with gas molecules; Dissociation vibrationnelle et dissociation en cascade d'ions H{sub 2}{sup +} par collisions avec les molecules d'un gaz

    Energy Technology Data Exchange (ETDEWEB)

    Verveer, P [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1966-07-01

    Protons produced by collisional dissociation of H{sub 2}{sup +} ions have an energy spectrum with a narrow central peak. For a part the protons in this peak are produced by vibrational dissociation and for another part by a cascade of two collisions. For H{sub 2}{sup +} ions of 50 to 150 keV the cross section for vibrational dissociation is about 4.1 10{sup -19} cm{sup 2}/molecule in hydrogen and 1.1 10{sup -18} cm{sup 2}/molecule in argon. (author) [French] Les protons resultant de la dissociation par collisions d'ions H{sub 2}{sup +} dans un gaz ont un spectre d'energie qui presente un pic central tres etroit. Les protons dans ce pic proviennent, pour une part de la dissociation vibrationnelle et pour l'autre part d'une suite de deux collisions. Dans le domaine d'energie des ions H{sub 2}{sup +} de 50 a 150 keV la section efficace de dissociation vibrationnel vaut 4.1 10{sup -19} cm{sup 2}/molecule pour l'hydrogene et 1,1 10{sup -18} cm{sup 2}/molecule pour l'argon.

  17. Denitrification prevails over anammox in tropical mangrove sediments (Goa, India)

    Digital Repository Service at National Institute of Oceanography (India)

    Fernandes, S.O.; Michotey, V.D.; Guasco, S.; Bonin, P.C.; LokaBharathi, P.A.

    denitrification as the main process of N sub(2) production in mangrove sediments. At Divar, denitrification was approx 3 times higher than at Tuvem with maximum activity of 224.51 + or -6.63 nmol N sub(2) g sup(−1) h sup(−1) at 0–2 cm. Denitrifying genes (nos...

  18. Genetic and biological characterisation of an avian-like H1N2 swine influenza virus generated by reassortment of circulating avian-like H1N1 and H3N2 subtypes in Denmark.

    Science.gov (United States)

    Trebbien, Ramona; Bragstad, Karoline; Larsen, Lars Erik; Nielsen, Jens; Bøtner, Anette; Heegaard, Peter M H; Fomsgaard, Anders; Viuff, Birgitte; Hjulsager, Charlotte Kristiane

    2013-09-18

    The influenza A virus subtypes H1N1, H1N2 and H3N2 are the most prevalent subtypes in swine. In 2003, a reassorted H1N2 swine influenza virus (SIV) subtype appeared and became prevalent in Denmark. In the present study, the reassortant H1N2 subtype was characterised genetically and the infection dynamics compared to an "avian-like" H1N1 virus by an experimental infection study. Sequence analyses were performed of the H1N2 virus. Two groups of pigs were inoculated with the reassortant H1N2 virus and an "avian-like" H1N1 virus, respectively, followed by inoculation with the opposite subtype four weeks later. Measurements of HI antibodies and acute phase proteins were performed. Nasal virus excretion and virus load in lungs were determined by real-time RT-PCR. The phylogenetic analysis revealed that the reassorted H1N2 virus contained a European "avian-like" H1-gene and a European "swine-like" N2-gene, thus being genetically distinct from most H1N2 viruses circulating in Europe, but similar to viruses reported in 2009/2010 in Sweden and Italy. Sequence analyses of the internal genes revealed that the reassortment probably arose between circulating Danish "avian-like" H1N1 and H3N2 SIVs. Infected pigs developed cross-reactive antibodies, and increased levels of acute phase proteins after inoculations. Pigs inoculated with H1N2 exhibited nasal virus excretion for seven days, peaking day 1 after inoculation two days earlier than H1N1 infected pigs and at a six times higher level. The difference, however, was not statistically significant. Pigs euthanized on day 4 after inoculation, had a high virus load in all lung lobes. After the second inoculation, the nasal virus excretion was minimal. There were no clinical sign except elevated body temperature under the experimental conditions. The "avian-like" H1N2 subtype, which has been established in the Danish pig population at least since 2003, is a reassortant between circulating swine "avian-like" H1N1 and H3N2. The Danish

  19. Prior infection of chickens with H1N1 or H1N2 avian influenza elicits partial heterologous protection against highly pathogenic H5N1.

    Science.gov (United States)

    Nfon, Charles; Berhane, Yohannes; Pasick, John; Embury-Hyatt, Carissa; Kobinger, Gary; Kobasa, Darwyn; Babiuk, Shawn

    2012-01-01

    There is a critical need to have vaccines that can protect against emerging pandemic influenza viruses. Commonly used influenza vaccines are killed whole virus that protect against homologous and not heterologous virus. Using chickens we have explored the possibility of using live low pathogenic avian influenza (LPAI) A/goose/AB/223/2005 H1N1 or A/WBS/MB/325/2006 H1N2 to induce immunity against heterologous highly pathogenic avian influenza (HPAI) A/chicken/Vietnam/14/2005 H5N1. H1N1 and H1N2 replicated in chickens but did not cause clinical disease. Following infection, chickens developed nucleoprotein and H1 specific antibodies, and reduced H5N1 plaque size in vitro in the absence of H5 neutralizing antibodies at 21 days post infection (DPI). In addition, heterologous cell mediated immunity (CMI) was demonstrated by antigen-specific proliferation and IFN-γ secretion in PBMCs re-stimulated with H5N1 antigen. Following H5N1 challenge of both pre-infected and naïve controls chickens housed together, all naïve chickens developed acute disease and died while H1N1 or H1N2 pre-infected chickens had reduced clinical disease and 70-80% survived. H1N1 or H1N2 pre-infected chickens were also challenged with H5N1 and naïve chickens placed in the same room one day later. All pre-infected birds were protected from H5N1 challenge but shed infectious virus to naïve contact chickens. However, disease onset, severity and mortality was reduced and delayed in the naïve contacts compared to directly inoculated naïve controls. These results indicate that prior infection with LPAI virus can generate heterologous protection against HPAI H5N1 in the absence of specific H5 antibody.

  20. Prior infection of chickens with H1N1 or H1N2 avian influenza elicits partial heterologous protection against highly pathogenic H5N1.

    Directory of Open Access Journals (Sweden)

    Charles Nfon

    Full Text Available There is a critical need to have vaccines that can protect against emerging pandemic influenza viruses. Commonly used influenza vaccines are killed whole virus that protect against homologous and not heterologous virus. Using chickens we have explored the possibility of using live low pathogenic avian influenza (LPAI A/goose/AB/223/2005 H1N1 or A/WBS/MB/325/2006 H1N2 to induce immunity against heterologous highly pathogenic avian influenza (HPAI A/chicken/Vietnam/14/2005 H5N1. H1N1 and H1N2 replicated in chickens but did not cause clinical disease. Following infection, chickens developed nucleoprotein and H1 specific antibodies, and reduced H5N1 plaque size in vitro in the absence of H5 neutralizing antibodies at 21 days post infection (DPI. In addition, heterologous cell mediated immunity (CMI was demonstrated by antigen-specific proliferation and IFN-γ secretion in PBMCs re-stimulated with H5N1 antigen. Following H5N1 challenge of both pre-infected and naïve controls chickens housed together, all naïve chickens developed acute disease and died while H1N1 or H1N2 pre-infected chickens had reduced clinical disease and 70-80% survived. H1N1 or H1N2 pre-infected chickens were also challenged with H5N1 and naïve chickens placed in the same room one day later. All pre-infected birds were protected from H5N1 challenge but shed infectious virus to naïve contact chickens. However, disease onset, severity and mortality was reduced and delayed in the naïve contacts compared to directly inoculated naïve controls. These results indicate that prior infection with LPAI virus can generate heterologous protection against HPAI H5N1 in the absence of specific H5 antibody.

  1. Quantitation of alpha 1-adrenergic receptors in porcine uterine and mesenteric arteries

    International Nuclear Information System (INIS)

    Farley, D.B.; Ford, S.P.; Reynolds, L.P.; Bhatnagar, R.K.; Van Orden, D.E.

    1984-01-01

    The activation of vascular alpha-adrenergic receptors may be involved in the control of uterine blood flow. A radioligand binding assay with the use of the alpha 1-adrenergic antagonist 3 H-WB-4101 was established to characterize the alpha-adrenergic receptors in uterine and mesenteric arterial membranes obtained from nonpregnant pigs. Specific binding of 3 H-WB-4101 was rapid, saturable, and exhibited the alpha-adrenergic agonist potency order of (-)-epinephrine inhibition constant [Ki] . 0.6 mumol/L greater than (-)-norepinephrine (Ki . 1.5 mumol/L) much greater than (-)-isoproterenol (Ki . 120 mumol/L). The alpha-adrenergic antagonist phentolamine (Ki . 6.0 nmol/L) was 200 times more potent than the beta-adrenergic antagonist (+/-)-propranolol (Ki . 1,200 nmol/L); the alpha 1-selective antagonist prazosin (Ki . 1.2 nmol/L) was 130 times more potent than the alpha 2-selective antagonist yohimbine (Ki . 160 nmol/L). Scatchard analysis, as well as iterative curve-fitting analysis, demonstrated that 3 H-WB-4101 binding by arterial membranes was to a single class of binding sites. Uterine arteries exhibited greater maximal binding capacity (BMax) than that of mesenteric arteries (47.5 +/- 3.2 versus 30.9 +/- 3.6 fmol per milligram of protein, p less than 0.01), but the uterine artery dissociation constant (Kd) was higher, thus indicating a lower affinity, when compared with mesenteric artery (0.43 +/- 0.04 versus 0.33 +/- 0.04 nmol/L, p less than 0.05)

  2. G+K 1Σ+/sub g/ double-minimum excited state of H2

    International Nuclear Information System (INIS)

    Glover, R.M.; Weinhold, F.

    1977-01-01

    We have obtained a Born--Oppenheimer potential curve for the previously uncharacterized third 1 Σ + /sub g/ state of H 2 , using a correlated 20-term wavefunction of generalized James--Coolidge type. We find this potential curve to have a double-minimum character, with the inner (Rydberg-like) and outer (''ionic'') wells having minima at about 1.99 and 3.30 bohr, respectively, and an intervening maximum at 2.76 bohr. Unlike the extensively studied E+F double-minimum state, the outer well here appears to be the deeper, by some 450 cm -1 in our calculation. The inner and outer minima can apparently be associated with spectral lines that in experimental tables have previously been attributed to distinct G and K electronic states. The appropriate spectroscopic term symbol of this combined state is accordingly G+K 1 Σ + /sub g/ (1ssigma3dsigma+22 )

  3. CYP2E1 Metabolism of Styrene Involves Allostery

    Science.gov (United States)

    Hartman, Jessica H.; Boysen, Gunnar

    2012-01-01

    We are the first to report allosterism during styrene oxidation by recombinant CYP2E1 and human liver microsomes. At low styrene concentrations, oxidation is inefficient because of weak binding to CYP2E1 (Ks = 830 μM). A second styrene molecule then binds CYP2E1 with higher affinity (Kss = 110 μM) and significantly improves oxidation to achieve a kcat of 6.3 nmol · min−1 · nmol CYP2E11. The transition between these metabolic cycles coincides with reported styrene concentrations in blood from exposed workers; thus, this CYP2E1 mechanism may be relevant in vivo. Scaled modeling of the in vitro-positive allosteric mechanism for styrene metabolism to its in vivo clearance led to significant deviations from the traditional model based on Michaelis-Menten kinetics. Low styrene levels were notably much less toxic than generally assumed. We interrogated the allosteric mechanism using the CYP2E1-specific inhibitor and drug 4-methylpyrazole, which we have shown binds two CYP2E1 sites. From the current studies, styrene was a positive allosteric effector on 4-methylpyrazole binding, based on a 10-fold increase in 4-methylpyrazole binding affinity from Ki 0.51 to Ksi 0.043 μM. The inhibitor was a negative allosteric effector on styrene oxidation, because kcat decreased 6-fold to 0.98 nmol · min−1 · nmol CYP2E11. Consequently, mixtures of styrene and other molecules can induce allosteric effects on binding and metabolism by CYP2E1 and thus mitigate the efficiency of their metabolism and corresponding effects on human health. Taken together, our elucidation of mechanisms for these allosteric reactions provides a powerful tool for further investigating the complexities of CYP2E1 metabolism of drugs and pollutants. PMID:22807108

  4. DC sputter deposition of amorphous indium-gallium-zinc-oxide (a-IGZO) films with H2O introduction

    International Nuclear Information System (INIS)

    Aoi, Takafumi; Oka, Nobuto; Sato, Yasushi; Hayashi, Ryo; Kumomi, Hideya; Shigesato, Yuzo

    2010-01-01

    Amorphous indium-gallium-zinc-oxide (a-IGZO) films were deposited by dc magnetron sputtering with H 2 O introduction and how the H 2 O partial pressure (P H 2 O ) during the deposition affects the electrical properties of the films was investigated in detail. Resistivity of the a-IGZO films increased dramatically to over 2 x 10 5 Ωcm with increasing P H 2 O to 2.7 x 10 -2 Pa while the hydrogen concentration in the films increased to 2.0 x 10 21 cm -3 . TFTs using a-IGZO channels deposited under P H 2 O at 1.6-8.6 x 10 -2 Pa exhibited a field-effect mobility of 1.4-3.0 cm 2 /Vs, subthreshold swing of 1.0-1.6 V/decade and on-off current ratio of 3.9 x 10 7 -1.0 x 10 8 .

  5. Genetic and biological characterisation of an avian-like H1N2 swine influenza virus generated by reassortment of circulating avian-like H1N1 and H3N2 subtypes in Denmark

    DEFF Research Database (Denmark)

    Trebbien, Ramona; Bragstad, Karoline; Larsen, Lars Erik

    2013-01-01

    BACKGROUND: The influenza A virus subtypes H1N1, H1N2 and H3N2 are the most prevalent subtypes in swine. In 2003, a reassorted H1N2 swine influenza virus (SIV) subtype appeared and became prevalent in Denmark. In the present study, the reassortant H1N2 subtype was characterised genetically...... and the infection dynamics compared to an “avian-like” H1N1 virus by an experimental infection study. METHODS: Sequence analyses were performed of the H1N2 virus. Two groups of pigs were inoculated with the reassortant H1N2 virus and an “avian-like” H1N1 virus, respectively, followed by inoculation...... with the opposite subtype four weeks later. Measurements of HI antibodies and acute phase proteins were performed. Nasal virus excretion and virus load in lungs were determined by real-time RT-PCR. RESULTS: The phylogenetic analysis revealed that the reassorted H1N2 virus contained a European “avian-like” H1-gene...

  6. 1-(1-Hydroxy-9H-carbazol-2-yl-3-methylbut-2-en-1-one

    Directory of Open Access Journals (Sweden)

    Matthias Zeller

    2010-02-01

    Full Text Available The title compound, C17H15NO2, was prepared as one of two products of the AlCl3/POCl3-catalysed reaction of 9-carbazol-1-ol with 3,3-dimethyacrylic acid. It crystallizes with two crystallographically independent molecules, A and B, which are virtually superimposable but not related by any translational or other pseudosymmetry. Both independent molecules are almost planar [r.m.s. deviations from planarity = 0.053 (1 and 0.079 (1 Å in A and B, respectively] and contain an intramolecular O—H...O hydrogen bond. Each type of molecules is connected via pairs of N—H...O hydrogen bonds, forming centrosymmetric A2 and B2 dimers which are, in turn, arranged in offset π-stacks extending along the a-axis direction. The offset of the dimers and the tilt angle of the molecules allows the formation of alternating C—H...π interactions between A and B molecules of parallel stacks.

  7. MARVEL analysis of the rotational-vibrational states of the molecular ions H2D+ and D2H+.

    Science.gov (United States)

    Furtenbacher, Tibor; Szidarovszky, Tamás; Fábri, Csaba; Császár, Attila G

    2013-07-07

    Critically evaluated rotational-vibrational line positions and energy levels, with associated critically reviewed labels and uncertainties, are reported for two deuterated isotopologues of the H3(+) molecular ion: H2D(+) and D2H(+). The procedure MARVEL, standing for Measured Active Rotational-Vibrational Energy Levels, is used to determine the validated levels and lines and their self-consistent uncertainties based on the experimentally available information. The spectral ranges covered for the isotopologues H2D(+) and D2H(+) are 5.2-7105.5 and 23.0-6581.1 cm(-1), respectively. The MARVEL energy levels of the ortho and para forms of the ions are checked against ones determined from accurate variational nuclear motion computations employing the best available adiabatic ab initio potential energy surfaces of these isotopologues. The number of critically evaluated, validated and recommended experimental (levels, lines) are (109, 185) and (104, 136) for H2D(+) and D2H(+), respectively. The lists of assigned MARVEL lines and levels and variational levels obtained for H2D(+) and D2H(+) as part of this study are deposited in the ESI to this paper.

  8. N-(2-Methylphenyl-1,2-benzoselenazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Xu Zhu

    2013-10-01

    Full Text Available In the title Ebselen [systematic name: (2-phenyl-1,2-benzoisoselenazol-3-(2H-one] analogue, C14H11NOSe, the benzisoselenazolyl moiety (r.m.s. deviation = 0.0209 Å is nearly perpendicular to the N-arenyl ring, making a dihedral angle of 78.15 (11°. In the crystal, molecules are linked by C—H...O and Se...O interactions into chains along the c-axis direction. The Se...O distance [2.733 (3 Å] is longer than that in Ebselen (2.571 (3 Å].

  9. Design and synthesis of novel sulfonamide-containing bradykinin hB2 receptor antagonists. 1. Synthesis and SAR of alpha,alpha-dimethylglycine sulfonamides.

    Science.gov (United States)

    Fattori, Daniela; Rossi, Cristina; Fincham, Christopher I; Berettoni, Marco; Calvani, Federico; Catrambone, Fernando; Felicetti, Patrizia; Gensini, Martina; Terracciano, Rosa; Altamura, Maria; Bressan, Alessandro; Giuliani, Sandro; Maggi, Carlo A; Meini, Stefania; Valenti, Claudio; Quartara, Laura

    2006-06-15

    We recently published the extensive in vivo pharmacological characterization of MEN 16132 (J. Pharmacol. Exp. Ther. 2005, 616-623; Eur. J. Pharmacol. 2005, 528, 7), a member of the sulfonamide-containing human B(2) receptor (hB(2)R) antagonists. Here we report, in detail, how this family of compounds was designed, synthesized, and optimized to provide a group of products with subnanomolar affinity for the hB(2)R and high in vivo potency after topical administration to the respiratory tract. The series was designed on the basis of indications from the X-ray structures of the key structural motifs A and B present in known antagonists and is characterized by the presence of an alpha,alpha-dialkyl amino acid. The first lead (17) of the series was submitted to extensive chemical work to elucidate the structural requirements to increase hB(2) receptor affinity and antagonist potency in bioassays expressing the human B(2) receptor (hB(2)R). The following structural features were selected: a 2,4-dimethylquinoline moiety and a piperazine linker acylated with a basic amino acid. The representative lead compound 68 inhibited the specific binding of [(3)H]BK to hB(2)R with a pKi of 9.4 and antagonized the BK-induced inositolphosphate (IP) accumulation in recombinant cell systems expressing the hB(2)R with a pA(2) of 9.1. Moreover, compound 68 when administered (300 nmol/kg) intratracheally in the anesthetized guinea pig, was able to significantly inhibit BK-induced bronchoconstriction for up to 120 min after its administration, while having a lower and shorter lasting effect on hypotension.

  10. Highly Efficient Thin-Film Transistor via Cross-Linking of 1T Edge Functional 2H Molybdenum Disulfides.

    Science.gov (United States)

    Lee, Hanleem; Bak, Sora; An, Sung-Jin; Kim, Jung Ho; Yun, Eunbhin; Kim, Meeree; Seo, Sohyeon; Jeong, Mun Seok; Lee, Hyoyoung

    2017-12-26

    Thin-film transistors (TFTs) have received great attention for their use in lightweight, large area, and wearable devices. However, low crystalline materials and inhomogeneous film formation limit the realization of high-quality electrical properties for channels in commercial TFTs, especially for flexible electronics. Here, we report a field-effect TFT fabricated via cross-linking of edge-1T basal-2H MoS 2 sheets that are prepared by edge functional exfoliation of bulk MoS 2 with soft organic exfoliation reagents. For edge functional exfoliation, the electrophilic 4-carboxy-benzenediazonium used as the soft organic reagent attacks the nucleophilic thiolates exposed at the edge of the bulk MoS 2 with the help of an amine catalyst, resulting in 1T edge-functional HOOC-benzene-2H basal MoS 2 nanosheets (e-MoS 2 ). The cross-linking via hydrogen bonding of the negatively charged HOOC of the e-MoS 2 sheets with the help of a cationic polymer, polydiallyldimethylammonium chloride, results in a good film formation for a channel of the solution processing TFT. The TFT exhibits an extremely high mobility of 170 cm 2 /(V s) at 1 V (on/off ratio of 10 6 ) on SiO 2 /Si substrate and also a high mobility of 36.34 cm 2 /(V s) (on/off ratio of 10 3 ) on PDMS/PET substrate.

  11. Bis[1,3-bis(2,4,6-trimethylphenyl-2,3-dihydro-1H-imidazol-2-ylidene]dinitrosyl(tetrahydroborato-κ2H,H′tungsten(0

    Directory of Open Access Journals (Sweden)

    Heinz Berke

    2011-01-01

    Full Text Available In the title paramagnetic 19-electron neutral complex, [W(BH4(C21H24N22(NO2], the W(0 atom is coordinated by two 1,3-bis(2,4,6-trimethylphenylimidazol-2-ylidene (IMes carbene ligands, two NO groups and two H atoms of an η2-tetrahydroborate ligand. Depending on the number of coordination sites (n assigned to the BH4− ligand, the coordination geometry of the W atom may either be described as approximately trigonal–bipyramidal (n = 1 or as very distorted octahedral with the bridging H atoms filling two coordination positions (n = 2. In the latter case, the coplanar NO groups and bridging H atoms (r.m.s. deviation = 0.032 Å form one octahedral plane, with mutually trans-oriented carbene ligands. In the crystal, molecules are connected via C—H...O interactions.

  12. 5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    M. Venkatesh

    2010-12-01

    Full Text Available The title compound, C13H16N2O3S, consists of two crystallographically independent molecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2 and 1.254 (2 Å. In both molecules, the pyrazole rings are approximately planar, with maximum deviations of 0.017 (2 and 0.010 (2 Å, and the dihedral angles between the pyrazole and phenyl rings are 83.63 (11 and 70.07 (12°. In one molecule, an intramolecular C—H...O hydrogen bond with an S(6 ring motif is observed. In the crystal, intermolecular N—H...O and C—H...O hydrogen bonds link the molecules into two-dimensional networks parallel to the ab plane.

  13. Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

    Science.gov (United States)

    Udier-Blagović, Marina; Morales De Tirado, Patricia; Pearlman, Shoshannah A; Jorgensen, William L

    2004-08-01

    Absolute free energies of hydration (DeltaGhyd) have been computed for 25 diverse organic molecules using partial atomic charges derived from AM1 and PM3 wave functions via the CM1 and CM3 procedures of Cramer, Truhlar, and coworkers. Comparisons are made with results using charges fit to the electrostatic potential surface (EPS) from ab initio 6-31G* wave functions and from the OPLS-AA force field. OPLS Lennard-Jones parameters for the organic molecules were used together with the TIP4P water model in Monte Carlo simulations with free energy perturbation theory. Absolute free energies of hydration were computed for OPLS united-atom and all-atom methane by annihilating the solutes in water and in the gas phase, and absolute DeltaGhyd values for all other molecules were computed via transformation to one of these references. Optimal charge scaling factors were determined by minimizing the unsigned average error between experimental and calculated hydration free energies. The PM3-based charge models do not lead to lower average errors than obtained with the EPS charges for the subset of 13 molecules in the original study. However, improvement is obtained by scaling the CM1A partial charges by 1.14 and the CM3A charges by 1.15, which leads to average errors of 1.0 and 1.1 kcal/mol for the full set of 25 molecules. The scaled CM1A charges also yield the best results for the hydration of amides including the E/Z free-energy difference for N-methylacetamide in water. Copyright 2004 Wiley Periodicals, Inc.

  14. Reaction of the C2H radical with 1-butyne (C4H6): Low Temperature Kinetics and Isomer-Specific Product Detection

    Energy Technology Data Exchange (ETDEWEB)

    Soorkia, Satchin; Trevitt, Adam J.; Selby, Talitha M.; Osborn, David L.; Taatjes, Craig A.; Wilson, Kevin R.; Leone, Stephen R.

    2009-12-22

    The rate coefficient for the reaction of the ethynyl radical (C{sub 2}H) with 1-butyne (H-C{triple_bond}C-CH{sub 2}-CH{sub 3}) is measured in a pulsed Laval nozzle apparatus. Ethynyl radicals are formed by laser photolysis of acetylene (C{sub 2}H{sub 2}) at 193 nm and detected via chemiluminescence (C{sub 2}H + O{sub 2} {yields} CH (A{sup 2}{Delta}) + CO{sub 2}). The rate coefficients are measured over the temperature range of 74-295 K. The C{sub 2}H + 1-butyne reaction exhibits no barrier and occurs with rate constants close to the collision limit. The temperature dependent rate coefficients can be fit within experimental uncertainties by the expression k = (2.4 {+-} 0.5) x 10{sup -10} (T/295 K)-(0.04 {+-} 0.03) cm{sup 3} molecule{sup -1}s{sup -1}. Reaction products are detected at room temperature (295 K) and 533 Pa using a Multiplexed Photoionization Mass Spectrometer (MPIMS) coupled to the tunable VUV synchrotron radiation from the Advanced Light Source at the Lawrence Berkeley National Laboratory. Two product channels are identified for this reaction: m/z = 64 (C{sub 5}H{sub 4}) and m/z = 78 (C{sub 6}H{sub 6}) corresponding to the CH{sub 3}- and H-loss channels, respectively. Photoionization efficiency (PIE) curves are used to analyze the isomeric composition of both product channels. The C{sub 5}H{sub 4} products are found to be exclusively linear isomers composed of ethynylallene and methyldiacetylene in a 4:1 ratio. In contrast, the C{sub 6}H{sub 6} product channel includes two cyclic isomers, fulvene 18({+-}5)% and 3,4-dimethylenecyclobut-1-ene 32({+-}8)%, as well as three linear isomers, 2-ethynyl-1,3-butadiene 8({+-}5)%, 3,4-hexadiene-1-yne 28({+-}8)% and 1,3-hexadiyne 14({+-}5)%. Within experimental uncertainties, we do not see appreciable amounts of benzene and an upper limit of 10% is estimated. Diacetylene (C{sub 4}H{sub 2}) formation via the C{sub 2}H{sub 5}-loss channel is also thermodynamically possible but cannot be observed due to experimental

  15. Interstellar matter near the Pleiades. III. A search for H2 2.4-micron vibration-rotation emission

    International Nuclear Information System (INIS)

    White, R.E.

    1988-01-01

    Results are reported from a search for 2.4-micron v = 1-0 H2 emission near five stars in the Pleiades, performed using a cooled InSb photometer and a 10-arcsec entrance aperture on the 2.3-m telescope at Wyoming IR Observatory. The calibration and data-reduction procedures are described, and the results are presented in a table. No emission is detected, and upper limits in the range 0.000026-0.000072 erg/sec sq cm sr are obtained, corresponding to limiting column densities of (1.3-3.7) x 10 to the 15th/sq cm and H2 densities of 400-1100/cu cm (assuming fluorescence and dissociation of the gas as it passes the stars). 16 references

  16. Protection level of AI H5N1 vaccine clade 2.1.3 commercial against AI H5N1 clade 2.3.2 virus from Ducks to SPF chicken in laboratory conditions

    Directory of Open Access Journals (Sweden)

    Indriani R

    2015-03-01

    Full Text Available Highly Pathogenic Avian Influenza (HPAI subtype H5N1 clade 2.3.2 has infected chickens in farms, causing mortality and a decrease in egg production. Vaccination is one of the strategies to control disease of AI subtype H5N1. AI H5N1 clade 2.1.3 vaccine is available commercially. The effectiveness of two vaccines of AI H5N1 clade 2.1.3 (product A and B, and AI H5N1 clade 2.3.2 (Sukoharjo against AI H5N1 clade 2.3.2 (Sukoharjo virus SPF chickens was tested in laboratory. Four groups of SPF chickens were used in this study, there were (1 vaccinated with H5N1 clade 2.1.3 (product A, (2 vaccinated with H5N1 clade 2.1.3 (product B, (3 vaccinated with AI H5N1 clade 2.3.2 and (4 unvaccinated (as a control. Each vaccinated group consisted of 10 chicken except 8 chicken for control group. SPF chicken were vaccinated with 1 dose of vaccine at 3 weeks olds, and then after 3 weeks post vaccination (at 6 weeks olds. All group of chicken were challenged with 106 EID50 per 0.1 ml via intranasal. The results showed, chicken vaccinated with H5N1 clade 2.1.3 product A and B gave 100 and 80% protection respectively, but showed challenged virus shedding, whereas vaccine of H5N1 clade 2.3.2 gave 100% protection from mortality and without virus shedding. Vaccines of AI H5N1 clade 2.1.3 product A was better than vaccine product B, and when chicken vaccinated against H5N1 clade 2.3.2, H5N1 clade 2.3.2 vaccine was the best to be used. In order to protect chicken from AI subtype H5N1 clade 2.1.3 and 2.3.2 in the field, a bivalent vaccine of H5N1 clade 2.1.3 and 2.3.2 subtypes should be developed.

  17. Comb-assisted cavity ring down spectroscopy of 17O enriched water between 7443 and 7921 cm-1

    Science.gov (United States)

    Mondelain, D.; Mikhailenko, S. N.; Karlovets, E. V.; Béguier, S.; Kassi, S.; Campargue, A.

    2017-12-01

    The room temperature absorption spectrum of water vapor highly enriched in 17O has been recorded by Cavity Ring Down Spectroscopy (CRDS) between 7443 and 7921 cm-1. Three series of recordings were performed with pressure values around 0.1, 1 and 10 Torr. The frequency calibration of the present spectra benefited of the combination of the CRDS spectrometer to a self-referenced frequency comb. The resulting CRD spectrometer combines excellent frequency accuracy over a broad spectral region with a high sensitivity (Noise Equivalent Absorption, αmin∼ 10-11-10-10 cm-1). The investigated spectral region corresponds to the high energy range of the first hexade. The assignments were performed using known experimental energy levels as well as calculated line lists based on the results of Partridge and Schwenke. Overall about 4150 lines were measured and assigned to 4670 transitions of six water isotopologues (H216O, H217O, H218O, HD16O, HD17O and HD18O). Their intensities span six orders of magnitude from 10-28 to 10-22 cm/molecule. Most of the new results concern the H217O and HD17O isotopologues for which about 1600 and 400 transitions were assigned leading to the determination of 329 and 207 new energy levels, respectively. For comparison only about 300 and four transitions of H217O and HD17O were previously known in the region, respectively. By comparison to highly accurate H216O line positions available in the literature, the average accuracy on our line centers is checked to be on the order of 3 MHz (10-4 cm-1) or better for not weak well isolated lines. This small uncertainty represents a significant improvement of the line center determination of many H216O lines included in the experimental list provided as Supplementary Material.

  18. INVISIBLE ACTIVE GALACTIC NUCLEI. II. RADIO MORPHOLOGIES AND FIVE NEW H i 21 cm ABSORPTION LINE DETECTORS

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Ting; Stocke, John T.; Darling, Jeremy [Center for Astrophysics and Space Astronomy, UCB 389, University of Colorado, Boulder, CO 80309-0389 (United States); Momjian, Emmanuel [National Radio Astronomy Observatory, P.O. Box O, Socorro, NM 87801 (United States); Sharma, Soniya [Research School of Astronomy and Astrophysics, The Australian National University, Mt Stromlo Observatory, ACT 2611 (Australia); Kanekar, Nissim [National Centre for Radio Astrophysics, TIFR, Post Bag 3, Ganeshkhind, Pune 411 007 (India)

    2016-03-15

    This is the second paper directed toward finding new highly redshifted atomic and molecular absorption lines at radio frequencies. To this end, we selected a sample of 80 candidates for obscured radio-loud active galactic nuclei (AGNs) and presented their basic optical/near-infrared (NIR) properties in Paper I. In this paper, we present both high-resolution radio continuum images for all of these sources and H i 21 cm absorption spectroscopy for a few selected sources in this sample. A-configuration 4.9 and 8.5 GHz Very Large Array continuum observations find that 52 sources are compact or have substantial compact components with size <0.″5 and flux densities >0.1 Jy at 4.9 GHz. The 36 most compact sources were then observed with the Very Long Baseline Array at 1.4 GHz. One definite and 10 candidate Compact Symmetric Objects (CSOs) are newly identified, which is a detection rate of CSOs ∼three times higher than the detection rate previously found in purely flux-limited samples. Based on possessing compact components with high flux densities, 60 of these sources are good candidates for absorption-line searches. Twenty-seven sources were observed for H i 21 cm absorption at their photometric or spectroscopic redshifts with only six detections (five definite and one tentative). However, five of these were from a small subset of six CSOs with pure galaxy optical/NIR spectra (i.e., any AGN emission is obscured) and for which accurate spectroscopic redshifts place the redshifted 21 cm line in a radio frequency intereference (RFI)-free spectral “window” (i.e., the percentage of H i 21 cm absorption-line detections could be as high as ∼90% in this sample). It is likely that the presence of ubiquitous RFI and the absence of accurate spectroscopic redshifts preclude H i detections in similar sources (only 1 detection out of the remaining 22 sources observed, 13 of which have only photometric redshifts); that is, H i absorption may well be present but is masked by

  19. 4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylphenylmethyl]-5-methyl-2-phenyl-1H-pyrazol-3(2H-one ethanol hemisolvate

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2009-01-01

    Full Text Available The asymmetric unit of the title compound, C27H24N4O2·0.5C2H6O, comprises two crystallographically independent molecules (A and B with slightly different conformations, and one ethanol molecule of crystallization. Intramolecular C—H...O and O—H...O hydrogen bonds generate six- and eight-membered rings, producing S(6 and S(8 ring motifs, respectively. In molecule A, one of the benzene rings is disordered over two positions, with site-occupancy factors of 0.542 (11 and 0.458 (11. The dihedral angles between the central benzene ring and the two outer benzene rings are 73.88 (9 and 82.6 (2/88.9 (2° in molecule A, and 80.81 (8 and 79.38 (8° in molecule B. In the crystal structure, molecules form infinite one-dimensional chains in the (101 plane. The crystal structure is stabilized by intermolecular O—H...N, N—H...N, N—H...O and C—H...O hydrogen bonds, weak C—H...π and π–π [centroid–centroid = 3.5496 (1 Å] interactions.

  20. Nanocarbon–{[Na10(PrW10O36]2·130H2O} composite to detect toxic food coloring dyes at nanolevel

    Directory of Open Access Journals (Sweden)

    Taposhree Dutta

    2016-04-01

    Full Text Available Abstract Monitoring of adulterated and toxic food colors is important due to their potential toxicity and pathogenicity. Here, we repot an Ln–POM (lanthanide polyoxometalate cluster, {[Na10(PrW10O36]2·130H2O}, with carbon nano-onion (CNO hybrid composite which is a highly efficient sensor for the rapid detection of toxic dyes like metanil yellow, auramine O, Orange II and in allura red (red 40 as low as 3.83; 4.73; 4.14 and 2.90 nmol ml−1 concentration, respectively, by fluorescence spectroscopy.

  1. Analysis of Saturn's Thermal Emission at 2.2-cm Wavelength: Spatial Distribution of Ammonia Vapor

    Science.gov (United States)

    Laraia, A. L.; Ingersoll, A. P.; Janssen, Michael A.; Gulkis, Samuel; Oyafuso, Fabiano A.; Allison, Michael D.

    2013-01-01

    This work focuses on determining the latitudinal structure of ammonia vapor in Saturn's cloud layer near 1.5 bars using the brightness temperature maps derived from the Cassini RADAR (Elachi et al., 2004) instrument, which works in a passive mode to measure thermal emission from Saturn at 2.2-cm wavelength. We perform an analysis of five brightness temperature maps that span epochs from 2005 to 2011, which are presented in a companion paper by Janssen et al. (2013a, this issue). The brightness temperature maps are representative of the spatial distribution of ammonia vapor, since ammonia gas is the only effective opacity source in Saturn's atmosphere at 2.2-cm wavelength. Relatively high brightness temperatures indicate relatively low ammonia relative humidity (RH), and vice versa. We compare the observed brightness temperatures to brightness temperatures computed using the Juno atmospheric microwave radiative transfer (JAMRT) program which includes both the means to calculate a tropospheric atmosphere model for Saturn and the means to carry out radiative transfer calculations at microwave frequencies. The reference atmosphere to which we compare has a 3x solar deep mixing ratio of ammonia (we use 1.352x10(exp -4) for the solar mixing ratio of ammonia vapor relative to H2; see Atreya, 2010) and is fully saturated above its cloud base. The maps are comprised of residual brightness temperatures-observed brightness temperature minus the model brightness temperature of the saturated atmosphere.

  2. Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structures of (μ-H)(H)Os3(CO)10(CN-t-C4H9) and (μ-H)2Os3(CO)9(CN-t-C4H9)

    International Nuclear Information System (INIS)

    Adams, R.D.; Golembski, N.M.

    1979-01-01

    The structures of the compounds (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ) and (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ) have been revealed by x-ray crystallographic techniques. For (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ): a = 9.064 (3), b = 12.225 (3), c = 20.364 (4) A; β = 98.73 (3) 0 ; space group P2 1 /c[C/sub 2h/ 5 ], No. 14; Z = 4; d/sub calcd/ = 2.79 g cm -3 . This compound contains a triangular cluster of three osmium atoms; Os(1)--Os(2) = 2.930 (1) A, Os(1)--Os(3) = 2.876 (1) A, and Os(2)--Os(3) = 3.000 (1) A. There are ten linear terminal carbonyl groups and one linear terminal isocyanide ligand which occupies an axial coordination site. The hydrogen atoms were not observed crystallographically, but their positions are strongly inferred from considerations of molecular geometry. For (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ): a = 15.220 (8), b = 12.093 (6), c = 23.454 (5) A; space group Pbcn [D/sub 2h/ 14 ], No. 60; Z = 8; d/sub calcd/ = 2.79 g cm -3 . The compound is analogous to the parent carbonyl (μ-H) 2 Os 3 (CO) 10 and has two normal and one short osmium--osmium bonds: Os(1)--Os(2) = 2.827 (1) A, Os(1)--Os(3) = 2.828 (1) A, Os(2)--Os(3) = 2.691 (1) A. The isocyanide ligand resides in an equatorial coordination site on osmium Os(2). The hydrogen atoms were not observed but are believed to occupy bridging positions as in the parent carbonyl complex. 2 figures, 7 tables

  3. (2-Benzoyl-1-phenylethenolato-κ2O,O′bis[2-(1-phenyl-1H-benzimidazol-2-ylphenyl-κC1]iridium(III dichloromethane disolvate

    Directory of Open Access Journals (Sweden)

    Stanislav I. Bezzubov

    2016-12-01

    Full Text Available We present here synthesis and crystal structure of a neutral IrIII complex, [Ir(C19H13N22(C15H11O22CH2Cl2 or [Ir(C^N2O^O]·2CH2Cl2, where C^N is 1,2-diphenyl-1H-benzimidazole and O^O is 2-benzoyl-1-phenylethenolate. The coordination sphere of the IrIII atom, located on a twofold rotation axis, is that of a slighlty distorted C2N2O2 octahedron, with the N atoms in a trans configuration. In the crystal, complex molecules assemble through weak C—H...π interactions in the range 2.699 (3–2.892 (3 Å. The solvent CH2Cl2 molecules reside in channels aligned along the a axis and are connected to the complex molecules by C—H...O interactions.

  4. Crystal structure of 1-(2,4-dimethylphenyl-2-(4-trimethylsilyl-1H-1,2,3-triazol-1-ylethanone

    Directory of Open Access Journals (Sweden)

    G. B. Venkatesh

    2014-12-01

    Full Text Available The asymmetric unit of the title compound, C15H21N3OSi, contains two molecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163 Å. The dihedral angles between the planes of the 1,2,3-triazole and 2,4-dimethylbenzene rings are 27.0 (3 and 19.5 (3°. In the crystal, molecules are linked by very weak C—H...O and C—H...N hydrogen bonds to generate [100] chains. The chains are cross-linked by C—H...π interactions.

  5. SYNTHESIS OF 1,2 FUSED SYSTEMS BASED ON THE 3-ARYLIDENE-5-PHENYL-1,2-DIHYDRO-3H-1,4- BENZODIAZEPINE-2-ONES

    Directory of Open Access Journals (Sweden)

    V. I. Pavlovsky

    2014-12-01

    Full Text Available By the reaction of 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-ones with Lawesson reagent, 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-tiones were synthesized from which 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines were obtained by the reaction with hydrazine hydrate. The condensation of 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines with triethylorthoformate (triethylorthoacetate or formic acid (acetic acid gave 4-arylidene-8-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-а][1,4]-benzodiazepines. Latter were also synthesized by the reaction of 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-tiones with acetylhydrazine. 4-Arylidene-8-bromo-6-phenyl-4H-[1,2,3,4] tetrazolo[1,5-а][1,4]-benzodiazepines were obtained by the reaction of 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines with sodium nitrite.

  6. Estimation of the maternal vitamin D intake that maintains circulating 25-hydroxyvitamin D in late gestation at a concentration sufficient to keep umbilical cord sera ≥25-30 nmol/L: a dose-response, double-blind, randomized placebo-controlled trial in pregnant women at northern latitude.

    Science.gov (United States)

    O'Callaghan, Karen M; Hennessy, Áine; Hull, George Lj; Healy, Karina; Ritz, Christian; Kenny, Louise C; Cashman, Kevin D; Kiely, Mairead E

    2018-06-06

    In the absence of dose-response data, Dietary Reference Values for vitamin D in nonpregnant adults are extended to pregnancy. The aim was to estimate vitamin D intake needed to maintain maternal 25-hydroxyvitamin D [25(OH)D] in late gestation at a concentration sufficient to prevent newborn 25(OH)D D3/d from ≤18 wk of gestation. Vitamin D metabolites at 14, 24, and 36 wk of gestation and in cord sera, including 25(OH)D3, 3-epi-25(OH)D3, 24,25(OH)2D3, and 25(OH)D2 were quantified by liquid chromatography-tandem mass spectrometry. A curvilinear regression model predicted the total vitamin D intake (from diet and antenatal supplements plus treatment dose) that maintained maternal 25(OH)D in late gestation at a concentration sufficient to maintain cord 25(OH)D at ≥25-30 nmol/L. Mean ± SD baseline 25(OH)D was 54.9 ± 10.7 nmol/L. Total vitamin D intakes at the study endpoint (36 wk of gestation) were 12.1 ± 8.0, 21.9 ± 5.3, and 33.7 ± 5.1 µg/d in the placebo and 10-µg and 20-µg vitamin D3 groups, respectively; and 25(OH)D was 24.3 ± 5.8 and 29.2 ± 5.6 nmol/L higher in the 10- and 20-µg groups, respectively, compared with placebo (P D concentrations ≥50 nmol/L, 95% of cord sera were ≥30 nmol/L and 99% were >25 nmol/L. The estimated vitamin D intake required to maintain serum 25(OH)D at ≥50 nmol/L in 97.5% of women was 28.9 µg/d. Thirty micrograms of vitamin D per day safely maintained serum 25(OH)D concentrations at ≥50 nmol/L in almost all white-skinned women during pregnancy at a northern latitude, which kept 25(OH)D at >25 nmol/L in 99% and ≥30 nmol/L in 95% of umbilical cord sera. This trial was registered at www.clinicaltrials.gov as NCT02506439.

  7. Synthesis of new trihalo methylated and non-symmetrical substituted 2-(1H-pyrazolyl)-5-(1H-pyrazolylcarbonyl)pyridines

    International Nuclear Information System (INIS)

    Bonacorso, Helio G.; Paim, Gisele R.; Guerra, Carolina Z.; Sehnem, Ronan C.; Cechinel, Cleber A.; Porte, Liliane M. F.; Martins, Marcos A. P.; Zanatta, Nilo

    2009-01-01

    This paper describes the synthesis of a new series of 2-[3-alkyl(aryl/heteroaryl)-5-trifluoro(chloro)methyl-5-hydroxy-4,5-dihydro -1H-pyrazol-1-yl]-5- [3-alkyl(aryl/heteroaryl)-5-trifluoro(chloro)methyl-5-hydroxy= -4,5-dihydro-1H-pyrazol-1-yl-1-carbonyl] pyridines by the cyclocondensation reaction of 4-alkoxy-4-alkyl(aryl/heteroaryl)-1,1,1- trifluoro(chloro) -3-alken- 2-ones [CX 3 C(O)CH=CR 1 OR, where R = Me, Et; R 1 = H, Me, Ph, 4-MeOPh, 4-NO 2 Ph, 4,4'-Biphenyl, 1-Naphthyl, Fur-2-yl, Thien-2-yl and X = F, Cl] with 6-hydrazinonicotinic hydrazide hydrate. Yields of 62 to 97% were obtained when the reactions were performed in ethanol as solvent at 78 deg C for 4 hours. In a subsequent step, the dehydration reactions of 2-(5-hydroxy-1H-pyrazol-1-yl)-5-(5-hydroxy-1H?pyrazol-1-yl-1-carbonyl) pyridines were carried out in pyridine/benzene in the presence of thionyl chloride and led to the isolation of a series of 2- [3-alkyl(aryl/heteroaryl)-5-trifluoro(chloro)methyl-1H-pyrazol-1-yl]-5- [3-alkyl(aryl/heteroaryl)-5 -trifluoro(chloro)methyl-1H-pyrazol-1-yl-1-carbonyl]pyridi= nes, in 64 to 86% yields. (author)

  8. Teledyne H1RG, H2RG, and H4RG Noise Generator

    Science.gov (United States)

    Rauscher, Bernard J.

    2015-01-01

    This paper describes the near-infrared detector system noise generator (NG) that we wrote for the James Webb Space Telescope (JWST) Near Infrared Spectrograph (NIRSpec). NG simulates many important noise components including; (1) white "read noise", (2) residual bias drifts, (3) pink 1/f noise, (4) alternating column noise, and (5) picture frame noise. By adjusting the input parameters, NG can simulate noise for Teledyne's H1RG, H2RG, and H4RG detectors with and without Teledyne's SIDECAR ASIC IR array controller. NG can be used as a starting point for simulating astronomical scenes by adding dark current, scattered light, and astronomical sources into the results from NG. NG is written in Python-3.4.

  9. QED Effects in Molecules: Test on Rotational Quantum States of H2

    Science.gov (United States)

    Salumbides, E. J.; Dickenson, G. D.; Ivanov, T. I.; Ubachs, W.

    2011-07-01

    Quantum electrodynamic effects have been systematically tested in the progression of rotational quantum states in the XΣg+1, v=0 vibronic ground state of molecular hydrogen. High-precision Doppler-free spectroscopy of the EFΣg+1-XΣg+1 (0,0) band was performed with 0.005cm-1 accuracy on rotationally hot H2 (with rotational quantum states J up to 16). QED and relativistic contributions to rotational level energies as high as 0.13cm-1 are extracted, and are in perfect agreement with recent calculations of QED and high-order relativistic effects for the H2 ground state.

  10. Electronic properties of in-plane phase engineered 1T'/2H/1T' MoS2

    Science.gov (United States)

    Thakur, Rajesh; Sharma, Munish; Ahluwalia, P. K.; Sharma, Raman

    2018-04-01

    We present the first principles studies of semi-infinite phase engineered MoS2 along zigzag direction. The semiconducting (2H) and semi-metallic (1T') phases are known to be stable in thin-film MoS2. We described the electronic and structural properties of the infinite array of 1T'/2H/1T'. It has been found that 1T'phase induced semi-metallic character in 2H phase beyond interface but, only Mo atoms in 2H phase domain contribute to the semi-metallic nature and S atoms towards semiconducting state. 1T'/2H/1T' system can act as a typical n-p-n structure. Also high holes concentration at the interface of Mo layer provides further positive potential barriers.

  11. Full-dimensional quantum dynamics of CO in collision with H{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Benhui; Stancil, P. C. [Department of Physics and Astronomy and the Center for Simulational Physics, The University of Georgia, Athens, Georgia 30602 (United States); Balakrishnan, N. [Department of Chemistry, University of Nevada, Las Vegas, Nevada 89154 (United States); Zhang, P. [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Wang, X.; Bowman, J. M. [Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States); Forrey, R. C. [Department of Physics, Penn State University, Berks Campus, Reading, Pennsylvania 19610 (United States)

    2016-07-21

    Inelastic scattering computations are presented for collisions of vibrationally and rotationally excited CO with H{sub 2} in full dimension. The computations utilize a newly developed six-dimensional potential energy surface (PES) and the previously reported four-dimensional V12 PES [P. Jankowski et al., J. Chem. Phys. 138, 084307 (2013)] and incorporate full angular-momentum coupling. At low collision energies, pure rotational excitation cross sections of CO by para-, ortho-, and normal-H{sub 2} are calculated and convolved to compare with recent measurements. Good agreement with the measured data is shown except for j{sub 1} = 0 → 1 excitation of CO for very low-energy para-H{sub 2} collisions. Rovibrational quenching results are presented for initially excited CO(v{sub 1}j{sub 1}) levels with v{sub 1} = 1, j{sub 1} = 1–5 and v{sub 1} = 2, j{sub 1} = 0 for collisions with para-H{sub 2} (v{sub 2} = 0, j{sub 2} = 0) and ortho-H{sub 2} (v{sub 2} = 0, j{sub 2} = 1) over the kinetic energy range 0.1–1000 cm{sup −1}. The total quenching cross sections are found to have similar magnitudes, but increase (decrease) with j{sub 1} for collision energies above ∼300 cm{sup −1} (below ∼10 cm{sup −1}). Only minor differences are found between para- and ortho-H{sub 2} colliders for rovibrational and pure rotational transitions, except at very low collision energies. Likewise, pure rotational deexcitation of CO yields similar cross sections for the v{sub 1} = 0 and v{sub 1} = 1 vibrational levels, while rovibrational quenching from v{sub 1} = 2, j{sub 1} = 0 is a factor of ∼5 larger than that from v{sub 1} = 1, j{sub 1} = 0. Details on the PES, computed at the CCSD(T)/aug-cc-pV5Z level, and fitted with an invariant polynomial method, are also presented.

  12. [Excitation transfer between high-lying states in K2 in collisions with ground state K and H2 molecules].

    Science.gov (United States)

    Shen, Xiao-Yan; Liu, Jing; Dai, Kang; Shen, Yi-Fan

    2010-02-01

    Pure potassium vapor or K-H2 mixture was irradiated in a glass fluorescence cell with pulses of 710 nm radiation from an OPO laser, populating K2 (1lambda(g)) state by two-photon absorption. Cross sections for 1lambda(g)-3lambda(g) transfer in K2 were determined using methods of molecular fluorescence. During the experiments with pure K vapor, the cell temperature was varied between 553 and 603 K. The K number density was determined spectroscopically by the white-light absorption measurement in the blue wing of the self-broadened resonance D2 line. The resulting fluorescence included a direct component emitted in the decay of the optically excitation and a sensitized component arising from the collisionally populated state. The decay signal of time-resolved fluorescence from1lambda(g) -->1 1sigma(u)+ transition was monitored. It was seen that just after the laser pulse the fluorescence of the photoexcited level decreased exponentially. The effective lifetimes of the 1lambda(g) state can be resolved. The plot of reciprocal of effective lifetimes of the 1lambda(g) state against K densities yielded the slope that indicated the total cross section for deactivation and the intercept that provided the radiative lifetime of the state. The radiative lifetime (20 +/- 2) ns was obtained. The cross section for deactivation of the K2(1lambda(g)) molecules by collisions with K is (2.5 +/- 0.3) x 10(-14) cm2. The time-resolved intensities of the K23lambda(g) --> 1 3sigma(u)+ (484 nm) line were measured. The radiative lifetime (16.0 +/- 3.2) ns and the total cross section (2.5 +/- 0.6) x 10(-14) cm2 for deactivation of the K2 (3lambda(g)) state can also be determined through the analogous procedure. The time-integrated intensities of 1lambda(g) --> 1 1sigma(u)+ and 3lambda(g) --> 1 3sigma(u)+ transitions were measured. The cross section (1.1 +/- 0.3) x10(-14) cm2 was obtained for K2 (1lambda(g))+ K --> K2 (3lambda(g)) + K collisions. During the experiments with K-H2 mixture, the

  13. Anomalous behaviors of E1/E2 deep level defects in 6H silicon carbide

    International Nuclear Information System (INIS)

    Chen, X.D.; Ling, C.C.; Gong, M.; Fung, S.; Beling, C.D.; Brauer, G.; Anwand, W.; Skorupa, W.

    2005-01-01

    Deep level defects E 1 /E 2 were observed in He-implanted, 0.3 and 1.7 MeV electron-irradiated n-type 6H-SiC. Similar to others' results, the behaviors of E 1 and E 2 (like the peak intensity ratio, the annealing behaviors or the introduction rates) often varied from sample to sample. This anomalous result is not expected of E 1 /E 2 being usually considered arising from the same defect located at the cubic and hexagonal sites respectively. The present study shows that this anomaly is due to another DLTS peak overlapping with the E 1 /E 2 . The activation energy and the capture cross section of this defect are E C -0.31 eV and σ∼8x10 -14 cm 2 , respectively

  14. OH+ Formation in the Low-temperature O+(4S) + H2 Reaction

    Science.gov (United States)

    Kovalenko, Artem; Dung Tran, Thuy; Rednyk, Serhiy; Roučka, Štěpán; Dohnal, Petr; Plašil, Radek; Gerlich, Dieter; Glosík, Juraj

    2018-04-01

    Formation of OH+ in collisions of ground-state O+(4S) ions with normal H2 has been studied using a variable temperature 22-pole RF ion trap. From 300 to 30 K the measured reaction rate coefficient is temperature-independent, with a small decrease toward 15 K. The recent wave packet calculation predicts a slightly steeper temperature dependence. The rate coefficients at 300 and 15 K are almost the same, (1.4 ± 0.3) × 10‑9 cm3 s‑1 and (1.3 ± 0.3) × 10‑9 cm3 s‑1, respectively. The influence of traces of the two metastable ions, O+(2D) and O+(2P), has been examined by monitoring the H+ products of their reactions with H2, as well as by chemically probing them with N2 reactant gas.

  15. Crystal structure of 3-{5-[3-(4-fluorophenyl-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate

    Directory of Open Access Journals (Sweden)

    Md. Lutfor Rahman

    2016-03-01

    Full Text Available The title indolin-2-one compound, C28H23FN4O·C2H6O, crystallizes as a 1:1 ethanol solvate. The ethanol molecule is disordered over two positions with refined site occupancies of 0.560 (14 and 0.440 (14. The pyrazole ring makes dihedral angles of 84.16 (10 and 85.33 (9° with the indolin-2-one and indole rings, respectively, whereas the dihedral angle between indolin-2-one and indole rings is 57.30 (7°. In the crystal, the components are linked by N—H...O and O—H...O hydrogen bonds, forming an inversion molecule–solvate 2:2 dimer with R44(12 ring motifs. The crystal structure is consolidated by π–π interaction between pairs of inversion-related indolin-2-one rings [interplanar spacing = 3.599 (2 Å].

  16. A new global analytical potential energy surface of NaH2+ system and dynamical calculation for H(2S) + NaH+(X2Σ+) → Na+(1S) + H2(X1Σg+) reaction

    Science.gov (United States)

    Yuan, Meiling; Li, Wentao; Yuan, Jiuchuang

    2018-05-01

    A new global potential energy surface (PES) of the NaH2+ system is constructed by fitting 27,621 ab initio energy points with the neural network method. The root mean square error of the new PES is only 4.1609 × 10-4 eV. Based on the new PES, dynamical calculations have been performed using the time-dependent quantum wave packet method. These results are then compared with the H(2S) + LiH+(X2Σ+) → Li+(1S) + H2(X1Σg+) reaction. The direct abstract mechanism is found to play an important role in the reaction because only forward scattering signals on the differential cross section results for all calculated collision energies.

  17. Histone HIST1H1C/H1.2 regulates autophagy in the development of diabetic retinopathy.

    Science.gov (United States)

    Wang, Wenjun; Wang, Qing; Wan, Danyang; Sun, Yue; Wang, Lin; Chen, Hong; Liu, Chengyu; Petersen, Robert B; Li, Jianshuang; Xue, Weili; Zheng, Ling; Huang, Kun

    2017-05-04

    Autophagy plays critical and complex roles in many human diseases, including diabetes and its complications. However, the role of autophagy in the development of diabetic retinopathy remains uncertain. Core histone modifications have been reported involved in the development of diabetic retinopathy, but little is known about the histone variants. Here, we observed increased autophagy and histone HIST1H1C/H1.2, an important variant of the linker histone H1, in the retinas of type 1 diabetic rodents. Overexpression of histone HIST1H1C upregulates SIRT1 and HDAC1 to maintain the deacetylation status of H4K16, leads to upregulation of ATG proteins, then promotes autophagy in cultured retinal cell line. Histone HIST1H1C overexpression also promotes inflammation and cell toxicity in vitro. Knockdown of histone HIST1H1C reduces both the basal and stresses (including high glucose)-induced autophagy, and inhibits high glucose induced inflammation and cell toxicity. Importantly, AAV-mediated histone HIST1H1C overexpression in the retinas leads to increased autophagy, inflammation, glial activation and neuron loss, similar to the pathological changes identified in the early stage of diabetic retinopathy. Furthermore, knockdown of histone Hist1h1c by siRNA in the retinas of diabetic mice significantly attenuated the diabetes-induced autophagy, inflammation, glial activation and neuron loss. These results indicate that histone HIST1H1C may offer a novel therapeutic target for preventing diabetic retinopathy.

  18. (E-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylideneamino]pyrimidine-2,4(1H,3H-dione

    Directory of Open Access Journals (Sweden)

    Irvin Booysen

    2011-09-01

    Full Text Available In the title compound, C12H13N5O2, a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503 Å. The N=C bond is E-configured. Intracyclic angles in the pyridine moiety cover the range 117.6 (2–124.1 (2°. Intra- and intermolecular N—H...N and N—H...O hydrogen bonds are observed in the crystal structure, as are intra- and intermolecular C—H...O contacts which, in total, connect the molecules into a three-dimensional network. The shortest ring-centroid-to-ring-centroid distance of 3.5831 (14 Å is between the two different types of six-membered rings.

  19. In vitro reassortment between endemic H1N2 and 2009 H1N1 pandemic swine influenza viruses generates attenuated viruses.

    Directory of Open Access Journals (Sweden)

    Ben M Hause

    Full Text Available The pandemic H1N1 (pH1N1 influenza virus was first reported in humans in the spring of 2009 and soon thereafter was identified in numerous species, including swine. Reassortant viruses, presumably arising from the co-infection of pH1N1 and endemic swine influenza virus (SIV, were subsequently identified from diagnostic samples collected from swine. In this study, co-infection of swine testicle (ST cells with swine-derived endemic H1N2 (MN745 and pH1N1 (MN432 yielded two reassortant H1N2 viruses (R1 and R2, both possessing a matrix gene derived from pH1N1. In ST cells, the reassortant viruses had growth kinetics similar to the parental H1N2 virus and reached titers approximately 2 log(10 TCID(50/mL higher than the pH1N1 virus, while in A549 cells these viruses had similar growth kinetics. Intranasal challenge of pigs with H1N2, pH1N1, R1 or R2 found that all viruses were capable of infecting and transmitting between direct contact pigs as measured by real time reverse transcription PCR of nasal swabs. Lung samples were also PCR-positive for all challenge groups and influenza-associated microscopic lesions were detected by histology. Interestingly, infectious virus was detected in lung samples for pigs challenged with the parental H1N2 and pH1N1 at levels significantly higher than either reassortant virus despite similar levels of viral RNA. Results of our experiment suggested that the reassortant viruses generated through in vitro cell culture system were attenuated without gaining any selective growth advantage in pigs over the parental lineages. Thus, reassortant influenza viruses described in this study may provide a good system to study genetic basis of the attenuation and its mechanism.

  20. Dissolution kinetics of heulandite at pH 2--12 and 25 degrees C

    International Nuclear Information System (INIS)

    Ragnarsdottir, K.V.

    1993-01-01

    Because of their favourable cation exchange reactions, heulandite and clinoptilolite have been suggested as being capable of immobilizing radionuclides and therefore could possibly act as an important barrier for nuclear waste. Recent studies of laboratory-reacted minerals indicate, however, that hydrated surface layers tend to accumulate highly hydrolyzable heavy elements. These hydrated layers may therefore be the most important retardants for radionuclides. The dissolution rate of heulandite depends strongly on pH. Based on silica release, the logarithm of the steady-state dissolution rate at pH 2 is -13.1 mol cm -2 s -1 . The logarithm of the rate decreases to -15.8 mol cm -2 s -1 at pH 7.2 and increases again to -14.6 mol cm -2 s -1 at pH 12.2. At low pH, Al is released preferentially to silica; but at intermediate and high pH, the release of silica appears to be congruent relative to Al. The change in dissolution rate with pH indicates that at low pH, the dissolution mechanism is controlled by the detachment of a positively charged Al species, >Al-OH 2 + . Below pH 5, however, a silica-rich surface layer is formed requiring diffusion through the layer. At intermediate and high pH, it is likely that the dissolution rate is controlled by the detachment of a negatively charged silica species, >Si - O - . The reaction order of the hydrogen ion under low pH conditions is 0.7, and the reaction order of the OH - ion is 0.3 at high pH. The measured dissolution rates indicate that a 1 mm heulandite crystal would dissolve in 300,000 yrs if the solution composition is maintained undersaturated. 75 refs., 11 figs., 3 tabs

  1. H1N1, H3N2 et B à Abidjan, Côte d'Ivoire

    African Journals Online (AJOL)

    English Title: Comparative analysis of the epidemiological and clinical profiles of influenza infection due to 2009 pH1N1, H1N1, H3N2 and B viruses in Abidjan, Cote d'Ivoire. English Abstract. Influenza can have various epidemiological and clinical characteristics. This study compares the epidemio-clinical profiles of ...

  2. Signal Immune Reactions of Macrophages Differentiated from THP-1 Monocytes to Infection with Pandemic H1N1PDM09 Virus and H5N2 and H9N2 Avian Influenza A Virus.

    Science.gov (United States)

    Sokolova, T M; Poloskov, V V; Shuvalov, A N; Rudneva, I A; Timofeeva, T A

    2018-03-01

    In culture of THP-1 cells differentiated into macrophages with PMA (THP-PMA macrophages) infected with influenza viruses of subtypes H1, H5 and H9, we measured the expression of TLR7 and RIG1 receptor genes, sensors of viral RNA and ribonucleoprotein, and the levels of production of inflammatory cytokines IL-1β, TNFα, IL-10, and IFNα. The sensitivity and inflammatory response of THP-PMA macrophages to pandemic influenza A virus H1N1pdm09 and avian influenza H5N2 and H9N2 viruses correlate with the intracellular level of their viral RNA and activation of the RIG1 gene. Abortive infection is accompanied by intensive macrophage secretion of TNFα, IL-1β, and toxic factors inducing cell death. Activity of endosomal TLR7 receptor gene changed insignificantly in 24 h after infection and significantly decreased in 48 and 72 h under the action of H5N2 and H9N2, which correlated with manifestation of the cytopathogenic effect of these viruses. H5N2 and H9N2 avian viruses in THP-PMA macrophages are strong activators of the expression of the gene of the cytoplasmic RIG1 receptor 24 and 48 h after infection, and the pandemic virus H1N1pdm09 is a weak stimulator of RIG1 gene. Avian influenza H5N2 and H9N2 viruses are released by rapid induction of the inflammatory response in macrophages. At the late stages of infection, we observed a minor increase in IL-10 secretion in macrophages and, probably, the polarization of a part of the population in type M2. The studied influenza A viruses are weak inductors of IFN in THP-PMA macrophages. In the culture medium of THP-PMA macrophages infected with H9N2 and H5N2 viruses, MTT test revealed high levels of toxic factors causing the death of Caco-2 cells. In contrast to avian viruses, pandemic virus H1N1pdm09 did not induce production of toxic factors.

  3. Quantitative analysis of H2O and CO2 in cordierite using polarized FTIR spectroscopy

    Science.gov (United States)

    Della Ventura, Giancarlo; Radica, Francesco; Bellatreccia, Fabio; Cavallo, Andrea; Capitelli, Francesco; Harley, Simon

    2012-11-01

    We report a FTIR (Fourier transform infrared) study of a set of cordierite samples from different occurrence and with different H2O/CO2 content. The specimens were fully characterized by a combination of techniques including optical microscopy, single-crystal X-ray diffraction, EMPA (electron microprobe analysis), SIMS (secondary ion mass spectrometry), and FTIR spectroscopy. All cordierites are orthorhombic Ccmm. According to the EMPA data, the Si/Al ratio is always close to 5:4; X Mg ranges from 76.31 to 96.63, and additional octahedral constituents occur in very small amounts. Extraframework K and Ca are negligible, while Na reaches the values up to 0.84 apfu. SIMS shows H2O up to 1.52 and CO2 up to 1.11 wt%. Optically transparent single crystals were oriented using the spindle stage and examined by FTIR micro-spectroscopy under polarized light. On the basis of the polarizing behaviour, the observed bands were assigned to water molecules in two different orientations and to CO2 molecules in the structural channels. The IR spectra also show the presence of small amounts of CO in the samples. Refined integrated molar absorption coefficients were calibrated for the quantitative microanalysis of both H2O and CO2 in cordierite based on single-crystal polarized-light FTIR spectroscopy. For H2O the integrated molar coefficients for type I and type II water molecules (ν3 modes) were calculated separately and are [I]ɛ = 5,200 ± 700 l mol-1 cm-2 and [II]ɛ = 13,000 ± 3,000 l mol-1 cm-2, respectively. For CO2 the integrated coefficient is \\varepsilon_{{{{CO}}_{ 2} }} = 19,000 ± 2,000 l mol-1 cm-2.

  4. Ferromagnetic Coupling between Copper(II) Centers through the Diamagnetic Zinc(II) Ion: Crystal Structure and Magnetic Properties of [Cu(2)Zn(Hdmg)(2)(dmg)(2)(H(2)O)].0.5H(2)dmg.H(2)O (H(2)dmg = Dimethylglyoxime).

    Science.gov (United States)

    Ruiz, Rafael; Julve, Miguel; Faus, Juan; Lloret, Francesc; Muñoz, M. Carmen; Journaux, Yves; Bois, Claudette

    1997-07-30

    A new heterotrinuclear complex of formula [Cu(2)Zn(Hdmg)(2)(dmg)(2)(H(2)O)].0.5H(2)dmg.H(2)O (C(18)H(34)Cu(2)N(9)O(11)Zn, 1) (H(2)dmg = dimethylglyoxime) has been synthesized and its crystal structure determined by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P&onemacr;, with a = 11.414(1) Å, b = 11.992(3) Å, c =12.567(10) Å, alpha = 91.27(6) degrees, beta = 111.46(2) degrees, gamma = 112.24(2) degrees, and Z = 2. The structure consists of a chain of neutral [Cu(2)Zn(Hdmg)(2)(dmg)(2)(H(2)O)] trinuclear units and noncoordinated H(2)dmg and water molecules. The configuration around the zinc atom is distorted trigonal bipyramidal with four oximate oxygens from two [Cu(Hdmg)(dmg)](-) fragments (each one acting as a bidentate ligand through its deprotonated oximate oxygens in cis positions) occupying one axial and the three equatorial positions and an additional oximate oxygen from a symmetry-related [Cu(Hdmg)(dmg)](-) fragment filling the remaining axial position. The environment around Cu(1) and Cu(2) is distorted square pyramidal with four oximate nitrogen atoms building the equatorial plane. An oxygen atom [O(9)] from a water molecule and an oximate oxygen from a symmetry-related [Cu(Hdmg)(dmg)](-) fragment occupy the apical position of the square pyramids around Cu(1) and Cu(2), respectively. The trinuclear units are repeated through inversion centers standing at the middle of the Zn(1).Zn(1)(i) and Cu(2).Cu(2)(ii) vectors leading to a chain which runs parallel to the diagonal of the ac-plane. The Cu(1).Cu(2), Zn(1).Zn(1)(i), and Cu(2).Cu(2)(ii) separations are 5.506(2), 3.390(2), and 3.930(2) Å, respectively. 1 exhibits a characteristic ferromagnetic behavior with a continuous increase of the chi(M)T product as the temperature is lowered from 300 to 2.0 K. The field dependence of the magnetization at 2.0 K is consistent with a low-lying quintet state. The only efficient exchange pathways responsible for the overall

  5. Chlorogenic acid analogues from Gynura nepalensis protect H9c2 cardiomyoblasts against H2O2-induced apoptosis.

    Science.gov (United States)

    Yu, Bang-Wei; Li, Jin-Long; Guo, Bin-Bin; Fan, Hui-Min; Zhao, Wei-Min; Wang, He-Yao

    2016-11-01

    Chlorogenic acid has shown protective effect on cardiomyocytes against oxidative stress-induced damage. Herein, we evaluated nine caffeoylquinic acid analogues (1-9) isolated from the leaves of Gynura nepalensis for their protective effect against H 2 O 2 -induced H9c2 cardiomyoblast damage and explored the underlying mechanisms. H9c2 cardiomyoblasts were exposed to H 2 O 2 (0.3 mmol/L) for 3 h, and cell viability was detected with MTT assay. Hoechst 33342 staining was performed to evaluate cell apoptosis. MMPs (mitochondrial membrane potentials) were measured using a JC-1 assay kit, and ROS (reactive oxygen species) generation was measured using CM-H 2 DCFDA. The expression levels of relevant proteins were detected using Western blot analysis. Exposure to H 2 O 2 markedly decreased the viability of H9c2 cells and catalase activity, and increased LDH release and intracellular ROS production; accompanied by a loss of MMP and increased apoptotic rate. Among the 9 chlorogenic acid analogues as well as the positive control drug epigallocatechin gallate (EGCG) tested, compound 6 (3,5-dicaffeoylquinic acid ethyl ester) was the most effective in protecting H9c2 cells from H 2 O 2 -induced cell death. Pretreatment with compound 6 (1.56-100 μmol/L) dose-dependently alleviated all the H 2 O 2 -induced detrimental effects. Moreover, exposure to H 2 O 2 significantly increased the levels of Bax, p53, cleaved caspase-8, and cleaved caspase-9, and decreased the level of Bcl-2, resulting in cell apoptosis. Exposure to H 2 O 2 also significantly increased the phosphorylation of p38, JNK and ERK in the H9c2 cells. Pretreatment with compound 6 (12.5 and 25 μmol/L) dose-dependently inhibited the H 2 O 2 -induced increase in the level of cleaved caspase-9 but not of cleaved caspase-8. It also dose-dependently suppressed the H 2 O 2 -induced phosphorylation of JNK and ERK but not that of p38. Compound 6 isolated from the leaves of Gynura nepalensis potently protects H9c2

  6. Risk stratification of gallbladder polyps (1-2 cm) for surgical intervention with 18F-FDG PET/CT.

    Science.gov (United States)

    Lee, Jaehoon; Yun, Mijin; Kim, Kyoung-Sik; Lee, Jong-Doo; Kim, Chun K

    2012-03-01

    We assessed the value of (18)F-FDG uptake in the gallbladder polyp (GP) in risk stratification for surgical intervention and the optimal cutoff level of the parameters derived from GP (18)F-FDG uptake for differentiating malignant from benign etiologies in a select, homogeneous group of patients with 1- to 2-cm GPs. Fifty patients with 1- to 2-cm GPs incidentally found on the CT portion of PET/CT were retrospectively analyzed. All patients had histologic diagnoses. GP (18)F-FDG activity was visually scored positive (≥liver) or negative (L ratio) were also measured. Univariate and multivariate logistic regression analyses were performed to determine the utility of patient and clinical variables--that is, sex, age, gallstone, polyp size, and three (18)F-FDG-related parameters in risk stratification. Twenty GPs were classified as malignant and 30 as benign. Multivariate analyses showed that the age and all parameters (visual criteria, SUVgp, and GP/L) related to (18)F-FDG uptake were significant risk factors, with the GP/L being the most significant. The sex, size of GPs, and presence of concurrent gallstones were found to be insignificant. (18)F-FDG uptake in a GP is a strong risk factor that can be used to determine the necessity of surgical intervention more effectively than other known risk factors. However, all criteria derived from (18)F-FDG uptake presented in this series may be applicable to the assessment of 1- to 2-cm GPs.

  7. Direct isolation of H1N2 recombinant virus from a throat swab of a patient simultaneously infected with H1N1 and H3N2 influenza A viruses.

    OpenAIRE

    Nishikawa, F; Sugiyama, T

    1983-01-01

    Two H1N2 recombinant viruses were isolated by a plaquing method from a throat swab of a patient who was simultaneously infected with H1N1 and H3N2 influenza viruses during the Tokyo epidemic of 1981. This is the first direct evidence that recombination of influenza viruses occurred in the human body.

  8. Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce, Nd

    International Nuclear Information System (INIS)

    De Almeida, Lucie; Grandjean, Stephane; Abraham, Francis; Rivenet, Murielle; Patisson, Fabrice

    2014-01-01

    New hydrazinium lanthanide oxalates N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce (Ce-H_yO_x) and Nd (Nd- H_yO_x), were synthesized by hydrothermal reaction at 150 C between lanthanide nitrate, oxalic acid and hydrazine solutions. The structure of the Nd compound was determined from single-crystal X-ray diffraction data, space group P2_1/c with a = 16.315(4), b = 12.127(3), c = 11.430(2) Angstroms, β = 116.638(4) degrees, V = 2021.4(7) Angstroems"3, Z = 4, and R1 = 0.0313 for 4231 independent reflections. Two distinct neodymium polyhedra are formed, NdO_9 and NdO_8N, an oxygen of one monodentate oxalate in the former being replaced by a nitrogen atom of a coordinated hydrazinium ion in the latter. The infrared absorption band at 1005 cm"-"1 confirms the coordination of N_2H_5"+ to the metal. These polyhedra are connected through μ"2 and μ"3 oxalate ions to form an anionic three-dimensional neodymium-oxalate arrangement. A non-coordinated charge-compensating hydrazinium ion occupies, with water molecules, the resulting tunnels. The N-N stretching frequencies of the infrared spectra demonstrate the existence of the two types of hydrazine ions. Thermal reactivity of these hydrazinium oxalates and of the mixed isotypic Ce/Nd (CeNd-H_yO_x) oxalate were studied by using thermogravimetric and differential thermal analyses coupled with gas analyzers, and high temperature X-ray diffraction. Under air, fine particles of CeO_2 and Ce_0_._5Nd_0_._5O_1_._7_5 are formed at low temperature from Ce-H_yO_x and CeNd-H_yO_x, respectively, thanks to a decomposition/oxidation process. Under argon flow, dioxy-mono-cyanamides Ln_2O_2CN_2 are formed. (authors)

  9. Evaporation Rates of Chemical Warfare Agents Measured Using 5 CM Wind Tunnels. 2. Munitions Grade Sulfur Mustard From Sand

    Science.gov (United States)

    2009-07-01

    micropores and the pH of 0.1 g sand in 2 mL water, measured after 24 hr using pH paper, was 6. The measured bulk and tapped densities of the sand...o oasr^^roryrgQcor-»infO KNceend’-ojnrS^’u:* ^ t\\i kO N © co uS oS - <- eg CM M (M n eft ^ eg ni r»i s rt...O cn o o 2 eft — cn co in ^ ^ iri — 3 *- t- — n vt rt CD £ 2 9 a H d a -i --’ p | E •i = ° 2r ^ A

  10. Efficacy of a Recombinant Turkey Herpesvirus H5 Vaccine Against Challenge With H5N1 Clades 1.1.2 and 2.3.2.1 Highly Pathogenic Avian Influenza Viruses in Domestic Ducks (Anas platyrhynchos domesticus).

    Science.gov (United States)

    Pantin-Jackwood, Mary J; Kapczynski, Darrell R; DeJesus, Eric; Costa-Hurtado, Mar; Dauphin, Gwenaelle; Tripodi, Astrid; Dunn, John R; Swayne, David E

    2016-03-01

    Domestic ducks are the second most abundant poultry species in many Asian countries and have played a critical role in the epizootiology of H5N1 highly pathogenic avian influenza (HPAI).In this study, the protective efficacy of a live recombinant vector vaccine based on a turkey herpesvirus (HVT) expressing the H5 gene from a clade 2.2 H5N1 HPAI strain (A/Swan/Hungary/4999/ 2006) (rHVT-H5/2.2), given at 3 days of age, was examined in Pekin ducks (Anas platyrhynchos domesticus). The vaccine was given alone or in combination with an inactivated H5N1 clade 2.3.2.1 reverse genetic (rgGD/2.3.2.1) vaccine given at 16 days of age, either as a single vaccination or in a prime-boost regime. At 30 days of age, ducks were challenged with one of two H5N1 HPAI viruses: A/duck/Vietnam/NCVD-2721/2013 (clade 1.1.2) or A/duck/Vietnam/NCVD-1584/2012 (clade 2.3.2.1.C). These viruses produced 100% mortality in less than 5 days in nonvaccinated control ducks. Ducks vaccinated with the rgGD/2.3.2.1 vaccine, with or without the rHVT-H5/2.2 vaccine, were 90%-100% protected against mortality after challenge with either of the two H5N1 HPAI viruses. The rHVT-H5/2.2 vaccine alone, however, conferred only 30% protection against mortality after challenge with either H5N1 HPAI virus; the surviving ducks from these groups shed higher amount of virus and for longer than the single-vaccinated rgGD/2.3.2.1 group. Despite low protection, ducks vaccinated with the rHVT-H5/2.2 vaccine and challenged with the clade 1.1.2 Vietnam virus had a longer mean death time than nonvaccinated controls (P = 0.02). A booster effect was found on reduction of virus shedding when using both vaccines, with lower oropharyngeal viral titers at 4 days after challenge with either HPAI virus (P study demonstrates the suboptimal protection with the rHVT-H5/2.2 vaccine given alone in Pekin ducks against H5N1 HPAI viruses and only a minor additive effect on virus shedding reduction when used with an inactivated vaccine in a

  11. The Rate Constant for the Reaction H + C2H5 at T = 295 - 150K

    Science.gov (United States)

    Pimentel, Andre S.; Payne, Walter A.; Nesbitt, Fred L.; Cody, Regina J.; Stief, Louis J.

    2004-01-01

    The reaction between the hydrogen atom and the ethyl (C2H3) radical is predicted by photochemical modeling to be the most important loss process for C2H5 radicals in the atmospheres of Jupiter and Saturn. This reaction is also one of the major sources for the methyl radicals in these atmospheres. These two simplest hydrocarbon radicals are the initial species for the synthesis of larger hydrocarbons. Previous measurements of the rate constant for the H + C2H5 reaction varied by a factor of five at room temperature, and some studies showed a dependence upon temperature while others showed no such dependence. In addition, the previous studies were at higher temperatures and generally higher pressures than that needed for use in planetary atmospheric models. The rate constant for the reaction H + C2H5 has been measured directly at T = 150, 202 and 295 K and at P = 1.0 Torr He for all temperatures and additionally at P = 0.5 and 2.0 Torr He at T = 202 K. The measurements were performed in a discharge - fast flow system. The decay of the C2H5 radical in the presence of excess hydrogen was monitored by low-energy electron impact mass spectrometry under pseudo-first order conditions. H atoms and C2H5 radicals were generated rapidly and simultaneously by the reaction of fluorine atoms with H2 and C2H6, respectively. The total rate constant was found to be temperature and pressure independent. The measured total rate constant at each temperature are: k(sub 1)(295K) = (1.02+/-0.24)x10(exp -10), k(sub 1)(202K) = (1.02+/-0.22)x10(exp -10) and k(sub 1)(150K) = (0.93+/-0.21)x10(exp -10), all in units of cu cm/molecule/s. The total rate constant derived from all the combined measurements is k(sub 1) = (l.03+/-0.17)x10(exp -10) cu cm/molecule/s. At room temperature our results are about a factor of two higher than the recommended rate constant and a factor of three lower than the most recently published study.

  12. Recent Syntheses of 1,2,3,4-Tetrahydroquinolines, 2,3-Dihydro-4(1H-quinolinones and 4(1H-Quinolinones using Domino Reactions

    Directory of Open Access Journals (Sweden)

    Baskar Nammalwar

    2013-12-01

    Full Text Available A review of the recent literature is given focusing on synthetic approaches to 1,2,3,4-tetrahydroquinolines, 2,3-dihydro-4(1H-quinolinones and 4(1H-quinolinones using domino reactions. These syntheses involve: (1 reduction or oxidation followed by cyclization; (2 SNAr-terminated sequences; (3 acid-catalyzed ring closures or rearrangements; (4 high temperature cyclizations and (5 metal-promoted processes as well as several less thoroughly studied reactions. Each domino method is presented with a brief discussion of mechanism, scope, yields, simplicity and potential utility.

  13. Near ultraviolet photodissociation spectroscopy of Mn{sup +}(H{sub 2}O) and Mn{sup +}(D{sub 2}O)

    Energy Technology Data Exchange (ETDEWEB)

    Pearson, Wright L.; Copeland, Christopher; Kocak, Abdulkadir; Sallese, Zachary; Metz, Ricardo B., E-mail: rbmetz@chem.umass.edu [Department of Chemistry, University of Massachusetts Amherst, Amherst, Massachusetts 01003 (United States)

    2014-11-28

    The electronic spectra of Mn{sup +}(H{sub 2}O) and Mn{sup +}(D{sub 2}O) have been measured from 30 000 to 35 000 cm{sup −1} using photodissociation spectroscopy. Transitions are observed from the {sup 7}A{sub 1} ground state in which the Mn{sup +} is in a 3d{sup 5}4s{sup 1} electronic configuration, to the {sup 7}B{sub 2} (3d{sup 5}4p{sub y}) and {sup 7}B{sub 1} (3d{sup 5}4p{sub x}) excited states with T{sub 0} = 30 210 and 32 274 cm{sup −1}, respectively. Each electronic transition has partially resolved rotational and extensive vibrational structure with an extended progression in the metal−ligand stretch at a frequency of ∼450 cm{sup −1}. There are also progressions in the in-plane bend in the {sup 7}B{sub 2} state, due to vibronic coupling, and the out-of-plane bend in the {sup 7}B{sub 1} state, where the calculation illustrates that this state is slightly non-planar. Electronic structure computations at the CCSD(T)/aug-cc-pVTZ and TD-DFT B3LYP/6-311++G(3df,3pd) level are also used to characterize the ground and excited states, respectively. These calculations predict a ground state Mn-O bond length of 2.18 Å. Analysis of the experimentally observed vibrational intensities reveals that this bond length decreases by 0.15 ± 0.015 Å and 0.14 ± 0.01 Å in the excited states. The behavior is accounted for by the less repulsive p{sub x} and p{sub y} orbitals causing the Mn{sup +} to interact more strongly with water in the excited states than the ground state. The result is a decrease in the Mn-O bond length, along with an increase in the H-O-H angle. The spectra have well resolved K rotational structure. Fitting this structure gives spin-rotation constants ε{sub aa}″ = −3 ± 1 cm{sup −1} for the ground state and ε{sub aa}′ = 0.5 ± 0.5 cm{sup −1} and ε{sub aa}′ = −4.2 ± 0.7 cm{sup −1} for the first and second excited states, respectively, and A′ = 12.8 ± 0.7 cm{sup −1} for the first excited state. Vibrationally mediated

  14. (E-3-Propoxymethylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one monohydrate

    Directory of Open Access Journals (Sweden)

    Burkhon Zh Elmuradov

    2010-05-01

    Full Text Available The title compound, C15H16N2O2·H2O, was synthesized via the alkylation of 3-hydroxymethylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one with n-propyl iodide in the presence of sodium hydroxide. The organic molecule and the water molecule both lie on a crystallographic mirror plane. In the crystal structure, intermolecular O—H...O and O—H...N hydrogen bonds link the components into extended chains along [100].

  15. Identification of swine H1N2/pandemic H1N1 reassortant influenza virus in pigs, United States.

    Science.gov (United States)

    Ali, Ahmed; Khatri, Mahesh; Wang, Leyi; Saif, Yehia M; Lee, Chang-Won

    2012-07-06

    In October and November 2010, novel H1N2 reassortant influenza viruses were identified from pigs showing mild respiratory signs that included cough and depression. Sequence and phylogenetic analysis showed that the novel H1N2 reassortants possesses HA and NA genes derived from recent H1N2 swine isolates similar to those isolated from Midwest. Compared to the majority of reported reassortants, both viruses preserved human-like host restrictive and putative antigenic sites in their HA and NA genes. The four internal genes, PB2, PB1, PA, and NS were similar to the contemporary swine triple reassortant viruses' internal genes (TRIG). Interestingly, NP and M genes of the novel reassortants were derived from the 2009 pandemic H1N1. The NP and M proteins of the two isolates demonstrated one (E16G) and four (G34A, D53E, I109T, and V313I) amino acid changes in the M2 and NP proteins, respectively. Similar amino acid changes were also noticed upon incorporation of the 2009 pandemic H1N1 NP in other reassortant viruses reported in the U.S. Thus the role of those amino acids in relation to host adaptation need to be further investigated. The reassortments of pandemic H1N1 with swine influenza viruses and the potential of interspecies transmission of these reassortants from swine to other species including human indicate the importance of systematic surveillance of swine population to determine the origin, the prevalence of similar reassortants in the U.S. and their impact on both swine production and public health. Copyright © 2012 Elsevier B.V. All rights reserved.

  16. 2-(3-Methylphenyl-1,2-benzoselenazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Liyun Wang

    2017-04-01

    Full Text Available In the title ebselen derivative, C14H11NOSe, the nine-membered benzisoselenazolyl ring system is approximately planar (r.m.s. deviation = 0.021 Å. The dihedral angle between its mean plane and that of the 3-methylphenyl ring is 5.37 (11°. The five-membered isoselenazolyl ring is severely strained at the Se atom: Se—N = 1.889 (2 Å, Se—Car = 1.882 (3 Å and N—Se—Car = 83.30 (10°. In the crystal, molecules are linked by C—H...O hydrogen bonds and short intermolecular Se...O contacts of 2.6917 (19 Å, forming chains along the c-axis direction. Neighbouring molecules are linked by offset π–π interactions [intercentroid distance = 3.535 (2 Å]. The chains are also linked by C—H...π interactions, forming a three-dimensional structure.

  17. Synthesis of binuclear rhodacarboranes from dianions 1,4- and 1,3-C6H4(CH2-9-C2H2B9H9-7,8-nido)22- and (Ph3P)3RhCl

    International Nuclear Information System (INIS)

    Zakharkin, L.I.; Zhigareva, G.G.

    1996-01-01

    Dianions 1,4 and 1,3-C 6 H 4 (CH 2 -9-C 2 H 2 B 9 H 9 -7,8-nido) 2 2- obtained from nido 7,8-dicarbollide-ion and 1,4-bis(bromomethyl) and 1,3-bis(bromomethyl)benzenes react with (Ph 3 P) 3 RhCl to give binuclear rhodacarboranes, 1,4- and 1,3-[3,3-(Ph 3 P) 2 -3-H-3,1,2-RhC 2 B 9 H 10 -4-CH 2 ] 2 C 6 H 6 with chemical reaction yield 85% and 87% respectively. 7 refs., 1 fig., 1 tab

  18. Synthesis and Cytotoxic Evaluation of 1H-1,2,3-Triazol-1-ylmethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-diones

    Directory of Open Access Journals (Sweden)

    INGRID C. CHIPOLINE

    2018-02-01

    Full Text Available ABSTRACT The 1,2-naphthoquinone compound was previously considered active against solid tumors. Moreover, glycosidase inhibitors such as 1,2,3-1H triazoles has been pointed out as efficient compounds in anticancer activity studies. Thus, a series of eleven 1,2-naphthoquinones tethered in C2 to 1,2,3-1H-triazoles 9a-k were designed, synthesized and their cytotoxic activity evaluated using HCT-116 (colon adenocarcinoma, MCF-7 (breast adenocarcinoma and RPE (human nontumor cell line from retinal epithelium. The chemical synthesis was performed from C-3 allylation of lawsone followed by iodocyclization with subsequent nucleophilic displacement with sodium azide and, finally, the 1,3-dipolar cycloaddition catalyzed by Cu(I with terminal alkynes led to the formation of 1H-1,2,3-Triazol-1-ylmethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-diones in good yields. Compounds containing aromatic group linked to 1,2,3-triazole ring (9c, 9d, 9e, 9i presented superior cytotoxic activity against cancer cell lines with IC50 in the range of 0.74 to 4.4 µM indicating that the presence of aromatic rings substituents in the 1,2,3-1H-triazole moiety is probably responsible for the improved cytotoxic activity.

  19. Investigation of Coating Performance of UV-Curable Hybrid Polymers Containing 1H,1H,2H,2H-Perfluorooctyltriethoxysilane Coated on Aluminum Substrates

    Directory of Open Access Journals (Sweden)

    Mustafa Çakır

    2017-03-01

    Full Text Available This study describes preparation and characterization of fluorine-containing organic-inorganic hybrid coatings. The organic part consists of bisphenol-A glycerolate (1 glycerol/phenol diacrylate resin and 1,6-hexanediol diacrylate reactive diluent. The inorganically rich part comprises trimethoxysilane-terminated urethane, 1H,1H,2H,2H-perfluorooctyltriethoxysilane, 3-(trimethoxysilyl propyl methacrylate and sol–gel precursors that are products of hydrolysis and condensation reactions. Bisphenol-A glycerolate (1 glycerol/phenol diacrylate resin was added to the inorganic part in predetermined amounts. The resultant mixture was utilized in the preparation of free films as well as coatings on aluminum substrates. Thermal and mechanical tests such as DSC, thermo-gravimetric analysis (TGA, and tensile and shore D hardness tests were performed on free films. Water contact angle, gloss, Taber abrasion test, cross-cut and tubular impact tests were conducted on the coated samples. SEM examination and EDS analysis was performed on the fractured surfaces of free films. The hybrid coatings on the aluminum sheets gave rise to properties such as moderately glossed surface; low wear rate and hydrophobicity. Tensile strength of free films increased with up to 10% inorganic content in the hybrid structure and this increase was approximately three times that of the control sample. As expected; the % strain value decreased by 17.3 with the increase in inorganic content and elastic modulus values increased by a factor of approximately 6. Resistance to ketone-based solvents was proven and an increase in hardness was observed as the ratio of the inorganic part increased. Samples which contain 10% sol–gel content were observed to provide optimal properties.

  20. 2-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)- and 2-(2,2-dioxo-1,4-dihydro-2H-2lambda6-benzo[1,2,6]thiadiazin-3-yl)-N-hydroxy-acetamides as potent and selective peptide deformylase inhibitors.

    Science.gov (United States)

    Apfel, C; Banner, D W; Bur, D; Dietz, M; Hubschwerlen, C; Locher, H; Marlin, F; Masciadri, R; Pirson, W; Stalder, H

    2001-06-07

    Potent, selective, and structurally new inhibitors of the Fe(II) enzyme Escherichia coli peptide deformylase (PDF) were obtained by rational optimization of the weakly binding screening hit (5-chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-acetic acid hydrazide (1). Three-dimensional structural information, gathered from Ni-PDF complexed with 1, suggested the preparation of two series of related hydroxamic acid analogues, 2-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamides (A) and 2-(2,2-dioxo-1,4-dihydro-2H-2lambda(6)-benzo[1,2,6]thiadiazin-3-yl)-N-hydroxy-acetamides (B), among which potent PDF inhibitors (37, 42, and 48) were identified. Moreover, two selected compounds, one from each series, 36 and 41, showed good selectivity for PDF over several endoproteases including matrix metalloproteases. However, these compounds showed only weak antibacterial activity.

  1. Novel 2,3-Dihydro-1H-pyrrolo[3,2,1-ij]quinazolin-1-ones: Synthesis and Biological Evaluation

    Directory of Open Access Journals (Sweden)

    Malose J. Mphahlele

    2016-12-01

    Full Text Available Herein we describe the synthesis and evaluation of a series of novel 2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinazolin-1-ones for in vitro cytotoxicity against three human cancer cell lines as well as for potential antimalarial activity against the chloroquine-sensitive strain 3D7 of Plasmodium falciparum. The title compounds were prepared via PdCl2-mediated endo-dig cyclization of 2-aryl-8-(arylethynyl-6-bromo-2,3-dihydroquinazolin-4(1H-ones. The latter were prepared, in turn, via initial Sonogashira cross-coupling of 2-amino-5-bromo-3-iodobenzamide with aryl acetylenes followed by boric acid-mediated cyclocondensation of the intermediate 2-amino-3-(arylethynyl-5-bromobenzamides with benzaldehyde derivatives. The 2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinazolin-1-ones 4a–k were evaluated for potential in vitro cytotoxicity against the breast (MCF-7, melanoma (B16 and endothelioma (sEnd.2 cell lines. All of the compounds except 4h and 4i were found to be inactive against the three cancer cell lines. Compound 4h substituted with a 4-methoxyphenyl and 4-fluorophenyl groups at the 3- and 5-positions was found to exhibit significant cytotoxicity against the three cancer cell lines. The presence of phenyl and 3-chlorophenyl groups at the 3- and 5-posiitons of the pyrroloquinazolinone 4i, on the other hand, resulted in significant cytotoxicity against vascular tumour endothelial cells (sEnd.2, but reduced activity against the melanoma (B16 and breast cancer (MCF-7 cells except at higher concentrations. The 2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinazolin-1-ones 4a–l were found to be inactive against the chloroquine sensitive 3D7 strain of Plasmodium falciparum.

  2. Haliotis tuberculata hemocyanin (HtH): analysis of oligomeric stability of HtH1 and HtH2, and comparison with keyhole limpet hemocyanin KLH1 and KLH2.

    Science.gov (United States)

    Harris, J R; Scheffler, D; Gebauer, W; Lehnert, R; Markl, J

    2000-12-01

    The multimeric/higher oligomeric states of the two isoforms of Haliotis tuberculata hemocyanin (HtH1 and HtH2) have been assessed by transmission electron microscopy (TEM) of negatively stained specimens, for comparison with previously published structural data from keyhole limpet hemocyanin (KLH1 and KLH2) [see Harris, J.R., Gebauer, W., Guderian, F.U., Markl, J., 1997a. Keyhole limpet hemocyanin (KLH), I: Reassociation from Immucothel followed by separation of KLH1 and KLH2. Micron, 28, 31-41; Harris, J.R., Gebauer, W., Söhngen, S.M., Nermut, M.V., Markl, J., 1997b. Keyhole limpet hemocyanin (KLH). II: Characteristic reassociation properties of purified KLH1 and KLH2. Micron, 28, 43-56; Harris, J.R., Gebauer, W., Adrian, M., Markl, J., 1998. Keyhole limpet hemocyanin (KLH): Slow in vitro reassociation of KLH1 and KLH2 from Immucothel. Micron, 29, 329-339]. In purified samples of both HtH isoforms, the hollow cylindrical ca 8MDa didecamer predominates together with a small number of decamers, but tri- and longer multidecamers are detectable only in the HtH2. The stability of the two HtH isoforms under varying ionic conditions have been monitored, thereby enabling conditions for the production of stable decamers to be established. The ability of these decamers to reform multimers in the presence of 10 and 100mM concentrations of calcium and magnesium ions in Tris-HCl buffer (pH 7.4), and also of individual HtH1 and HtH2 subunits (produced by pH 9.6 dissociation in glycine-NaOH buffer), to reassociate in the presence of calcium and magnesium ions, has been assessed. For the HtH1 decamers, the predominant multimeric product is the didecamer at 10 and 100mM calcium and magnesium concentrations, whereas for the HtH2 decamers, large numbers of multidecamers are produced, with the reaction proceeding more completely at the higher calcium and magnesium concentration. With the HtH1 subunit, reassociation in the presence of 10 and 100mM calcium and magnesium ions yielded

  3. 1H and 2H NMR relaxation study on the phase transitions of (NH4)3H(SO4)2 and (ND4)3D(SO4)2 single crystals

    International Nuclear Information System (INIS)

    Lim, Ae Ran; Jeong, Se-Young

    2006-01-01

    T 1 , T 1ρ and T 2 for the 1 H and 2 H nuclei in (NH 4 ) 3 H(SO 4 ) 2 and (ND 4 ) 3 D(SO 4 ) 2 single crystals grown using the slow evaporation method were measured for phases I, II, III, IV and V. The 1 H T 1 , T 1ρ , and T 2 values were found to exhibit different trends in phases II and III: T 1 , T 1ρ and T 2 for 1 H do not change significantly near the phase transition at 265 K, whereas near 413 K they change discontinuously. We conclude that the NH 4 + and H(SO 4 ) 2 - ions do not play an important role in the III-II phase transition, but do play important roles in the II-I phase transition. The liquid-like nature of the 1 H T 1ρ and T 2 above 413 K is indicative of the destruction and reconstruction of hydrogen bonds. Moreover, the phase transitions of the (NH 4 ) 3 H(SO 4 ) 2 crystal are accompanied by changes in the molecular motion of the (NH 4 ) + ions. The variations with temperature of the 2 H T 1 and T 2 of (ND 4 ) 3 D(SO 4 ) 2 crystals are not similar to those observed for the 1 H T 1 and T 2 . Our comparison of the results for (NH 4 ) 3 H(SO 4 ) 2 and (ND 4 ) 3 D(SO 4 ) 2 crystals indicates the following: the 1 H T 1ρ and T 2 of the (NH 4 ) + and H(SO 4 ) 2 - ions above T C1 are characteristic of fast, liquid-like motion, which is not the case for (ND 4 ) 3 D(SO 4 ) 2 ; and the 2 H T 1 of D(SO 4 ) 2 - in (ND 4 ) 3 D(SO 4 ) 2 is longer than the 2 H T 1 of (ND 4 ) + in contrast to the results for (NH 4 ) 3 H(SO 4 ) 2 crystals

  4. Characterization of three types of silicon solar cells for SEPS deep space missions. Volume 1: Current-voltage characteristics of OCLI BSF/BSR 10 ohm-cm, and BSR 2 ohm-cm cells as a function of temperature and intensity

    Science.gov (United States)

    Whitaker, A. F.; Little, S. A.; Smith, C. F., Jr.; Wooden, V. A.

    1979-01-01

    Three types of high performance silicon solar cells, BSF/BSR 10 ohm-cm, BSR 10 ohm-cm, and BSR 2 ohm-cm, were evaluated for their low temperature and low intensity performance. Sixteen cells of each type were subjected to ten temperatures and nine intensities. The BSF/BSR 10 ohm-cm cells provided the best performance at 1 solar constant and +25 C with an efficiency of 14.1% while the BSR 2 ohm-cm cells had the highest low temperature and low intensity performance with an efficiency of 22.2% at 0.04 solar constant and -170 C and the most consistent cell-to-cell characteristics.

  5. Roles of NMDA and dopamine D1 and D2 receptors in the acquisition and expression of flavor preferences conditioned by oral glucose in rats.

    Science.gov (United States)

    Dela Cruz, J A D; Coke, T; Icaza-Cukali, D; Khalifa, N; Bodnar, R J

    2014-10-01

    Animals learn to prefer flavors associated with the intake of sugar (sucrose, fructose, glucose) and fat (corn oil: CO) solutions. Conditioned flavor preferences (CFP) have been elicited for sugars based on orosensory (flavor-flavor: e.g., fructose-CFP) and post-ingestive (flavor-nutrient: e.g., intragastric (IG) glucose-CFP) processes. Dopamine (DA) D1, DA D2 and NMDA receptor antagonism differentially eliminate the acquisition and expression of fructose-CFP and IG glucose-CFP. However, pharmacological analysis of fat (CO)-CFP, mediated by both flavor-flavor and flavor-nutrient processes, indicated that acquisition and expression of fat-CFP were minimally affected by systemic DA D1 and D2 antagonists, and were reduced by NMDA antagonism. Therefore, the present study examined whether systemic DA D1 (SCH23390), DA D2 (raclopride) or NMDA (MK-801) receptor antagonists altered acquisition and/or expression of CFP induced by oral glucose that should be mediated by both flavor-flavor and flavor-nutrient processes. Oral glucose-CFP was elicited following by training rats to drink one novel flavor (CS+, e.g., cherry) mixed in 8% glucose and another flavor (CS-, e.g., grape) mixed in 2% glucose. In expression studies, food-restricted rats drank these solutions in one-bottle sessions (2 h) over 10 days. Subsequent two-bottle tests with the CS+ and CS- flavors mixed in 2% glucose occurred 0.5 h after systemic administration of vehicle (VEH), SCH23390 (50-800 nmol/kg), raclopride (50-800 nmol/kg) or MK-801 (50-200 μg/kg). Rats displayed a robust CS+ preference following VEH treatment (94-95%) which was significantly though marginally attenuated by SCH23390 (67-70%), raclopride (77%) or MK-801 (70%) at doses that also markedly reduced overall CS intake. In separate acquisition studies, rats received VEH, SCH23390 (50-400 nmol/kg), raclopride (50-400 nmol/kg) or MK-801 (100 μg/kg) 0.5 h prior to ten 1-bottle training trials with CS+/8%G and CS-/2%G training solutions that was

  6. Characterization of RuO sub 2 electrodes for ferroelectric thin films prepared by metal-organic chemical-vapor deposition using Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3

    CERN Document Server

    Lee, J M; Shin, J C; Hwang, C S; Kim, H J; Suk, C G

    1999-01-01

    Pure and conducting RuO sub 2 thin films were deposited on Si substrates at 250 approx 450 .deg. C using Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3 as a precursor by low-pressure metal-organic chemical-vapor deposition (LP-MOCVD). At a lower deposition temperature,smoother and denser RuO sub 2 thin films were deposited. The RuO sub 2 thin films, which were crack free, adhered well onto the substrates and showed very low resistivities around 45 approx 60 mu OMEGA cm. RuO sub 2 thin films on (Ba, Sr)/TiO sub 3 /Pt/SiO sub 2 /Si showed good properties, indicating that MOCVD RuO sub 2 thin films from Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3 can be applied as electrodes of high-dielectric thin films for capacitors in ultra-large-scale DRAMs.

  7. Evaluation of twenty rapid antigen tests for the detection of human influenza A H5N1, H3N2, H1N1, and B viruses.

    Science.gov (United States)

    Taylor, Janette; McPhie, Kenneth; Druce, Julian; Birch, Chris; Dwyer, Dominic E

    2009-11-01

    Twenty rapid antigen assays were compared for their ability to detect influenza using dilutions of virus culture supernatants from human isolates of influenza A H5N1 (clade 1 and 2 strains), H3N2 and H1N1 viruses, and influenza B. There was variation amongst the rapid antigen assays in their ability to detect different influenza viruses. Six of the 12 assays labeled as distinguishing between influenza A and B had comparable analytical sensitivities for detecting both influenza A H5N1 strains, although their ability to detect influenza A H3N2 and H1N1 strains varied. The two assays claiming H5 specificity did not detect either influenza A H5N1 strains, and the two avian influenza-specific assays detected influenza A H5N1, but missed some influenza A H3N2 virus supernatants. Clinical trials of rapid antigen tests for influenza A H5N1 are limited. For use in a pandemic where novel influenza strains are circulating (such as the current novel influenza A H1N1 09 virus), rapid antigen tests should ideally have comparable sensitivity and specificity for the new strains as for co-circulating seasonal influenza strains.

  8. Accurate measurements of solar spectral irradiance between 4000-10000 cm-1

    Science.gov (United States)

    Elsey, J.; Coleman, M. D.; Gardiner, T.; Shine, K. P.

    2017-12-01

    The near-infrared solar spectral irradiance (SSI) is an important input into simulations of weather and climate; the distribution of energy throughout this region of the spectrum influences atmospheric heating rates and the global hydrological cycle through absorption and scattering by water vapour. Current measurements by a mixture of ground-based and space-based instruments show differences of around 10% in the 4000-7000 cm-1 region, with no resolution to this controversy in sight. This work presents observations of SSI taken using a ground-based Fourier Transform spectrometer between 4000-10000 cm-1 at a field site in Camborne, UK, with particular focus on a rigorously defined uncertainty budget. While there is good agreement between this work and the commonly-used ATLAS3 spectrum between 7000-10000 cm-1, the SSI is systematically lower by 10% than ATLAS3 between 4000-7000 cm-1, with no overlap within the k = 2 measurement uncertainties.

  9. Cascade alkylarylation of substituted N-allylbenzamides for the construction of dihydroisoquinolin-1(2H-ones and isoquinoline-1,3(2H,4H-diones

    Directory of Open Access Journals (Sweden)

    Ping Qian

    2016-02-01

    Full Text Available An oxidative reaction for the synthesis of 4-alkyl-substituted dihydroisoquinolin-1(2H-ones with N-allylbenzamide derivatives as starting materials has been developed. The radical alkylarylation reaction proceeds through a sequence of alkylation and intramolecular cyclization. The substituent on the C–C double bond was found to play a key role for the progress of the reaction to give the expected products with good chemical yields. Additionally, N-methacryloylbenzamides were also suitable substrates for the current reaction and provided the alkyl-substituted isoquinoline-1,3(2H,4H-diones in good yield.

  10. 2-(2,4-Dichlorophenyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylacetamide

    Directory of Open Access Journals (Sweden)

    B. Narayana

    2013-01-01

    Full Text Available In the crystal structure of the title compound, C19H17Cl2N3O2, the molecules form dimers of the R22(10 type through N—H...O hydrogen bonding. As a result of steric repulsion, the amide group is rotated with respect to both the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 80.70 (13 and 64.82 (12°, respectively. The dihedral angle between the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 48.45 (5° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 56.33 (6°.

  11. The proton-coupled amino acid transporter hPAT1 is the main transporter involved in vigabatrin uptake in intestinal Caco-2 cells

    DEFF Research Database (Denmark)

    Nøhr, Martha Kampp; Hansen, Steen Honore'; Brodin, Birger

    2012-01-01

    transporter hPAT1. The aim of the project was to identify if transporters are involved in cellular uptake of vigabatrin in Caco-2 cells. Methods: The uptake rate of vigabatrin was measured in Caco-2 cells at pH 6.0 or 7.4 for 15 min after application of 0.1 – 25.0 mM vigabatrin. The inhibitory effect...... of selected amino acids and -derivatives on the apical vigabatrin uptake in Caco-2 cells was investigated. Vigabatrin samples were analyzed using liquid chromatography (LC) coupled to a mass selective detector (MSD). Results: The uptake rate of vigabatrin in Caco-2 cells was pH-dependent. The uptake...... of vigabatrin was saturable at pH 6.0 with a Michaelis constant, Km of 12.7 ± 3.7 mM and a maximal flux, Jmax of 3.7 ± 0.5 nmol•min-1cm-2. The presences of hPAT1 ligands significantly inhibited the uptake of vigabatrin in Caco-2 cells at pH 6.0, whereas hPAT1 non-ligands did not. Discussion: The saturability...

  12. 2-cm versus 4-cm surgical excision margins for primary cutaneous melanoma thicker than 2 mm: a randomised, multicentre trial

    DEFF Research Database (Denmark)

    Gillgren, Peter; Drzewiecki, Krzysztof T; Niin, Marianne

    2011-01-01

    Optimum surgical resection margins for patients with clinical stage IIA-C cutaneous melanoma thicker than 2 mm are controversial. The aim of the study was to test whether survival was different for a wide local excision margin of 2 cm compared with a 4-cm excision margin....

  13. Infrared spectra and stability of CO and H2O sorption over Ag-exchanged ZSM-5 zeolite: DFT study

    International Nuclear Information System (INIS)

    Jiang Shujun; Huang Shiping; Tu Weixia; Zhu Jiqin

    2009-01-01

    The infrared spectra and stability of CO and H 2 O sorption over Ag-exchanged ZSM-5 zeolite were investigated by using density function theory (DFT). The changes of NBO charge show that the electron transfers from CO molecule to the Ag + cation to form an σ-bond, and it accompanies by the back donation of d-electrons from Ag + cation to the CO (π*) orbital as one and two CO molecules are adsorbed on Ag-ZSM-5. The free energy changes ΔG, -5.55 kcal/mol and 6.52 kcal/mol for one and two CO molecules, illustrate that the Ag + (CO) 2 complex is unstable at the room temperature. The vibration frequency of C-O stretching of one CO molecule bonded to Ag + ion at 2211 cm -1 is in good agreement with the experimental results. The calculated C-O symmetric and antisymmetric stretching frequencies in the Ag + (CO) 2 complex shift to 2231 cm -1 and 2205 cm -1 when the second CO molecule is adsorbed. The calculated C-O stretching frequency in CO-Ag-ZSM-5-H 2 O complex shifts to 2199 cm -1 , the symmetric and antisymmetric O-H stretching frequencies are 3390 cm -1 and 3869 cm -1 , respectively. The Gibbs free energy change (ΔG H 2 O ) is -6.58 kcal/mol as a H 2 O molecule is adsorbed on CO-Ag-ZSM-5 complex at 298 K. The results show that CO-Ag-ZSM-5-H 2 O complex is more stable at room temperature

  14. Individual Impact of Distinct Polysialic Acid Chain Lengths on the Cytotoxicity of Histone H1, H2A, H2B, H3 and H4

    Directory of Open Access Journals (Sweden)

    Kristina Zlatina

    2017-12-01

    Full Text Available Neutrophils are able to neutralize pathogens by phagocytosis, by the release of antimicrobial components, as well as by the formation of neutrophil extracellular traps (NETs. The latter possibility is a DNA-meshwork mainly consisting of highly concentrated extracellular histones, which are not only toxic for pathogens, but also for endogenous cells triggering several diseases. To reduce the negative outcomes initiated by extracellular histones, different approaches like antibodies against histones, proteases, and the polysaccharide polysialic acid (polySia were discussed. We examined whether each of the individual histones is a binding partner of polySia, and analyzed their respective cytotoxicity in the presence of this linear homopolymer. Interestingly, all of the histones (H1, H2A, H2B, H3, and H4 seem to interact with α2,8-linked sialic acids. However, we observed strong differences regarding the required chain length of polySia to bind histone H1, H2A, H2B, H3, and H4. Moreover, distinct degrees of polymerization were necessary to act as a cytoprotective agent in the presence of the individual histones. In sum, the outlined results described polySia-based strategies to bind and/or to reduce the cytotoxicity of individual histones using distinct polySia chain length settings.

  15. Precision spectroscopy of the X1Σg+, v=0→1(J=0-2) rovibrational splittings in H2, HD and D2

    Science.gov (United States)

    Niu, M. L.; Salumbides, E. J.; Dickenson, G. D.; Eikema, K. S. E.; Ubachs, W.

    2014-06-01

    Accurate experimental values for the vibrational ground tone or fundamental vibrational energy splitting of H2, HD, and D2 are presented. Absolute accuracies of 2×10-4 cm-1 are obtained from Doppler-free laser spectroscopy applied in a collisionless environment. The vibrational splitting frequencies are derived from the combination difference between separate electronic excitations from the X1Σg+, v=0, J and v=1, J vibrational states to a common EF1Σg+, v=0, J state. The present work on rotational quantum states J=1,2 extends the results reported by Dickenson et al. on J=0 [Phys. Rev. Lett. 110 (2013) 193601]. The experimental procedures leading to this high accuracy are discussed in detail. A comparison is made with full ab initio calculations encompassing Born-Oppenheimer energies, adiabatic and non-adiabatic corrections, as well as relativistic corrections and QED-contributions. The present agreement between the experimental results and the calculations provides a stringent test on the application of quantum electrodynamics in molecules. Furthermore, the combined experimental-theoretical uncertainty can be interpreted to provide bounds to new interactions beyond the Standard Model of Physics or fifth forces between hadrons.

  16. Monitoring reactive oxygen species formation and localisation in living cells by use of the fluorescent probe CM-H(2)DCFDA and confocal laser microscopy

    DEFF Research Database (Denmark)

    Kristiansen, Kim Anker; Jensen, Poul Erik; Møller, Ian Max

    2009-01-01

    Reactive oxygen species (ROS) develop as a consequence of wounding, light stress and chemical imbalances but act also as signals in living cells. The integrity of cells is seriously endangered, if ROS cannot be controlled by scavenging molecules and other repair mechanisms of the cell. For studying...... ROS development and signalling under stress, a reliable indicator is needed. We have tested the ROS sensitive dye 5-(and-6) chloromethyl-2',7' dichlorodihydrofluorescein diacetate acetyl ester (CM-H(2)DCFDA) using onion bulb scale and leaf epidermis as well as Arabidopsis leaves and protoplasts. ROS...

  17. Dibromidobis[1-(2-bromobenzyl-3-(pyrimidin-2-yl-1H-imidazol-2(3H-one]copper(II

    Directory of Open Access Journals (Sweden)

    Chun-Xin Lu

    2012-06-01

    Full Text Available In the title complex, [CuBr2(C14H11BrN4O2], the CuII ion is located on an inversion centre and is coordinated by two ketonic O atoms, two N atoms and two Br atoms, forming a distorted octahedral coordination environment. The two carbonyl groups are trans positioned with C=O bond lengths of 1.256 (5 Å, in agreement with a classical carbonyl bond. The Cu—O bond length is 2.011 (3 Å. The two bromobenzyl rings are approximately parallel to one another, forming a dihedral angle of 70.1 (4° with the coordination plane.

  18. FDG uptake in axillary lymph nodes after vaccination against pandemic (H1N1)

    International Nuclear Information System (INIS)

    Panagiotidis, Emmanouil; Exarhos, Demetrios; Housianakou, Irene; Bournazos, Apostolos; Datseris, Ioannis

    2010-01-01

    To alert the imaging community to potential false positive findings related to current immunization programmes against H1N1 influenza virus. We reviewed 10 patients referred for positron emission tomography/computed tomography (PET/CT) who had undergone recent vaccination. All studies showed 18 F-fluorodeoxyglucose (FDG) uptake in the draining axillary lymph nodes close to the vaccination site, while low-dose CT revealed lymph nodes ranged between 0.5 cm and 1.2 cm at the same site. This potential pitfall in PET/CT should be borne in mind during current vaccination programmes. (orig.)

  19. Nucleosome acidic patch promotes RNF168- and RING1B/BMI1-dependent H2AX and H2A ubiquitination and DNA damage signaling.

    Directory of Open Access Journals (Sweden)

    Justin W Leung

    2014-03-01

    Full Text Available Histone ubiquitinations are critical for the activation of the DNA damage response (DDR. In particular, RNF168 and RING1B/BMI1 function in the DDR by ubiquitinating H2A/H2AX on Lys-13/15 and Lys-118/119, respectively. However, it remains to be defined how the ubiquitin pathway engages chromatin to provide regulation of ubiquitin targeting of specific histone residues. Here we identify the nucleosome acid patch as a critical chromatin mediator of H2A/H2AX ubiquitination (ub. The acidic patch is required for RNF168- and RING1B/BMI1-dependent H2A/H2AXub in vivo. The acidic patch functions within the nucleosome as nucleosomes containing a mutated acidic patch exhibit defective H2A/H2AXub by RNF168 and RING1B/BMI1 in vitro. Furthermore, direct perturbation of the nucleosome acidic patch in vivo by the expression of an engineered acidic patch interacting viral peptide, LANA, results in defective H2AXub and RNF168-dependent DNA damage responses including 53BP1 and BRCA1 recruitment to DNA damage. The acidic patch therefore is a critical nucleosome feature that may serve as a scaffold to integrate multiple ubiquitin signals on chromatin to compose selective ubiquitinations on histones for DNA damage signaling.

  20. Syngas (CO-H2) production using high temperature micro-tubular solid oxide electrolysers

    International Nuclear Information System (INIS)

    Kleiminger, L.; Li, T.; Li, K.; Kelsall, G.H.

    2015-01-01

    Highlights: • CO 2 and/or H 2 O reduced to CO/H 2 in micro-tubular solid oxide electrolyser (MT-SOE). • MT-SOE: CO 2 , H 2 O | Ni-(ZrO 2 ) 0.92 (Y 2 O 3 ) 0.08 (YSZ) | YSZ | YSZ- La 0.8 Sr 0.2 MnO 3-δ |O 2. • −0.76 A cm2 achieved at 1.5V and ca. 820°C for H 2 O electrolysis. • Ni wire cathode current collector gave better performance than (Ag wire+Ag paste). • C 18 O 2 in co-electrolysis could not distinguish cathodic and chemical reduction. - Abstract: CO 2 and/or H 2 O were reduced to CO/H 2 in micro-tubular solid oxide electrolysers with yttria-stabilized zirconia (YSZ) electrolyte, Ni-YSZ cermet cathode and strontium(II)-doped lanthanum manganite (LSM) oxygen-evolving anode. At 822 °C, the kinetics of CO 2 reduction were slower (ca. −0.49 A cm2 at 1.8 V) than H 2 O reduction or co-reduction of CO 2 and H 2 O, which were comparable (ca. −0.83 to −0.77 A cm2 at 1.8 V). Performances were improved (−0.85 and −1.1 A cm2 for CO 2 and H 2 O electrolysis, respectively) by substituting the silver current collector with nickel and avoiding blockage of entrances to pores on the inner lumen of micro-tubes induced by silver paste applied previously to decrease contact losses. The change in current collector materials increased ohmic potential losses due to substituting the lower resistance Ag with Ni wire, but decreased electrode polarization losses by 80–93%. For co-electrolysis of CO 2 and H 2 O, isotopically-labelled C 18 O 2 was used to try to distinguish between direct cathodic reduction of CO 2 and its Ni-catalysed chemical reaction with hydrogen from reduction of steam. Unfortunately, oxygen was exchanged between C 18 O 2 and H 2 16 O, enriching oxygen-18 in the steam and substituting oxygen-16 in the carbon dioxide, so the anode off-gas isotopic fractions were meaningless. This occurred even in alumina and YSZ tubes without the micro-tubular reactor, i.e. in the absence of Ni catalyst, though not in quartz tubes

  1. Theoretical studies on molecular and explosive properties of 4,4',5,5'-Tetranitro-2,2'-bi-1H-imidazole (TNBI)

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Soo Gyeong; Goh, Eun Mee; Cho, Jin Rai; Kim, Jeong Kook [High Explosives Team, Agency for Defense Development, P. O. Box 35-5, Yuseong, Daejeon, 305-600 (Korea)

    2006-02-15

    We performed theoretical studies to predict the molecular structure, molecular properties, and explosive performance of 4,4',5,5'-tetranitro-2,2'-bi-1H-imidazole (TNBI). High levels of ab initio and density functional theories were employed to predict the molecular structure of TNBI. Predicted TNBI structure was in good agreement with that observed by X-ray crystallography. Heat of formation in the solid phase at 298 K was predicted to be 270.3 kJ/mol. Density of TNBI was predicted to be 1.919-1.956 g/cm{sup 3} depending upon the parameter sets of group additivity method. By using these values as input data, we estimated detonation velocity and C-J pressure to be 8.69-8.80 km/s and 34.5-36.1 GPa, respectively. Impact sensitivity of TNBI was predicted to be 33 cm. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  2. Density effects on high-n molecular Rydberg states: CH3I and C6H6 in H2 and Ar

    International Nuclear Information System (INIS)

    Asaf, U.; Felps, W.S.; Rupnik, K.; McGlynn, S.P.; Ascarelli, G.

    1989-01-01

    The absorption spectra of high-n Rydberg states of methyl iodide and benzene perturbed by varying number densities of hydrogen or argon, range 0.9x10 20 --10.5x10 20 cm -3 for H 2 and 0.6x10 20 --7.5x10 20 cm -3 for Ar, have been investigated. The high-n molecular states of both absorbers were found to shift linearly with the number density of atomic Ar and molecular H 2 scatterers. The Fermi formula modified by the Alekseev--Sobel'man polarization term provides an excellent fit of the shift data. The electron scattering lengths obtained are: 0.93 a 0 for H 2 and -1.63 a 0 for Ar using the CH 3 I absorber; and 0.99 a 0 for H 2 and -1.57 a 0 for Ar using the C 6 H 6 absorber. The electron scattering lengths for H 2 and Ar agree with the results of an empirical model that correlates scattering lengths and the polarizabilities α(spherical) for inert atoms and α 2 (nonspherical) for H 2 molecule

  3. Mannose-binding lectin contributes to deleterious inflammatory response in pandemic H1N1 and avian H9N2 infection.

    Science.gov (United States)

    Ling, Man To; Tu, Wenwei; Han, Yan; Mao, Huawei; Chong, Wai Po; Guan, Jing; Liu, Ming; Lam, Kwok Tai; Law, Helen K W; Peiris, J S Malik; Takahashi, K; Lau, Yu Lung

    2012-01-01

    Mannose-binding lectin (MBL) is a pattern-recognition molecule, which functions as a first line of host defense. Pandemic H1N1 (pdmH1N1) influenza A virus caused massive infection in 2009 and currently circulates worldwide. Avian influenza A H9N2 (H9N2/G1) virus has infected humans and has the potential to be the next pandemic virus. Antiviral function and immunomodulatory role of MBL in pdmH1N1 and H9N2/G1 virus infection have not been investigated. In this study, MBL wild-type (WT) and MBL knockout (KO) murine models were used to examine the role of MBL in pdmH1N1 and H9N2/G1 virus infection. Our study demonstrated that in vitro, MBL binds to pdmH1N1 and H9N2/G1 viruses, likely via the carbohydrate recognition domain of MBL. Wild-type mice developed more severe disease, as evidenced by a greater weight loss than MBL KO mice during influenza virus infection. Furthermore, MBL WT mice had enhanced production of proinflammatory cytokines and chemokines compared with MBL KO mice, suggesting that MBL could upregulate inflammatory responses that may potentially worsen pdmH1N1 and H9N2/G1 virus infections. Our study provided the first in vivo evidence that MBL may be a risk factor during pdmH1N1 and H9N2/G1 infection by upregulating proinflammatory response.

  4. Transfer of deuterium from [1R-2H]- and [1S-2H] ethanol to reduced metabolites formed in vivo

    International Nuclear Information System (INIS)

    Cronholm, T.; Fors, C.

    1977-01-01

    Since alcohol dehydrogenase is stereospecific and only removes the 1-pro-R hydrogen of ethanol, it is possible to label selectively NADH formed at the alcohol dehydrogenase by using [1R- 2 H]-ethanol. In contrast, [1S- 2 H]ethanol may be used to label NADH formed in the aldehyde dehydrogenase reaction. The present investigation is an attempt to study the relationship between the NADH pools at these two dehydrogenases, with special reference to subcellular localization, by using chiral monodeuteroethanols

  5. First charge collection and position-precision data on the medium-resistivity silicon strip detectors before and after neutron irradiation up to 2x10 sup 1 sup 4 n/cm sup 2

    CERN Document Server

    Li Zheng; Eremin, V; Li, C J; Verbitskaya, E

    1999-01-01

    Test strip detectors of 125 mu m, 500 mu m, and 1 mm pitches with about 1 cm sup 2 areas have been made on medium-resistivity silicon wafers (1.3 and 2.7 k OMEGA cm). Detectors of 500 mu m pitch have been tested for charge collection and position precision before and after neutron irradiation (up to 2x10 sup 1 sup 4 n/cm sup 2) using 820 and 1030 nm laser lights with different beam-spot sizes. It has been found that for a bias of 250 V a strip detector made of 1.3 k OMEGA cm (300 mu m thick) can be fully depleted before and after an irradiation of 2x10 sup 1 sup 4 n/cm sup 2. For a 500 mu m pitch strip detector made of 2.7 k OMEGA cm tested with an 1030 nm laser light with 200 mu m spot size, the position reconstruction error is about 14 mu m before irradiation, and 17 mu m after about 1.7x10 sup 1 sup 3 n/cm sup 2 irradiation. We demonstrated in this work that medium resistivity silicon strip detectors can work just as well as the traditional high-resistivity ones, but with higher radiation tolerance. We als...

  6. 2-(1H-Benzimidazol-2-ylphenol

    Directory of Open Access Journals (Sweden)

    S. M. Prakash

    2014-02-01

    Full Text Available The title molecule, C13H10N2O, is essentially planar, the maximum deviation from the plane of the non-H atoms being 0.016 (2 Å. The imidazole ring makes a dihedral angle of 0.37 (13° with the attached benzene ring. An intramolecular O—H...N hydrogen bond generates an S(6 ring motif. In the crystal, molecules are linked through N—H...O hydrogen bonds, forming chains propagating in [001]. The crystal packing also features four π–π stacking interactions involving the imidazole ring, fused benzene ring and attached benzene ring system [centroid–centroid distances = 3.6106 (17, 3.6108 (17, 3.6666 (17 and 3.6668 (17 Å].

  7. (2E-3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl-1-(2,5-dimethyl-3-thienylprop-2-en-1-one

    Directory of Open Access Journals (Sweden)

    Salman A. Khan

    2010-04-01

    Full Text Available The title compound, (2E-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl-1-(2,5-dimethyl-3-thienylprop-2-en-1-one (3 was synthesized in high yield by aldol condensation of 3-acetyl-2,5-dimethylthiophene and 3,5-dimethyl-1-phenylpyrazole-4-carboxaldehyde in ethanolic NaOH at room temperature. Its structure was fully characterized by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

  8. Comparative analyses of pandemic H1N1 and seasonal H1N1, H3N2, and influenza B infections depict distinct clinical pictures in ferrets.

    Directory of Open Access Journals (Sweden)

    Stephen S H Huang

    Full Text Available Influenza A and B infections are a worldwide health concern to both humans and animals. High genetic evolution rates of the influenza virus allow the constant emergence of new strains and cause illness variation. Since human influenza infections are often complicated by secondary factors such as age and underlying medical conditions, strain or subtype specific clinical features are difficult to assess. Here we infected ferrets with 13 currently circulating influenza strains (including strains of pandemic 2009 H1N1 [H1N1pdm] and seasonal A/H1N1, A/H3N2, and B viruses. The clinical parameters were measured daily for 14 days in stable environmental conditions to compare clinical characteristics. We found that H1N1pdm strains had a more severe physiological impact than all season strains where pandemic A/California/07/2009 was the most clinically pathogenic pandemic strain. The most serious illness among seasonal A/H1N1 and A/H3N2 groups was caused by A/Solomon Islands/03/2006 and A/Perth/16/2009, respectively. Among the 13 studied strains, B/Hubei-Wujiagang/158/2009 presented the mildest clinical symptoms. We have also discovered that disease severity (by clinical illness and histopathology correlated with influenza specific antibody response but not viral replication in the upper respiratory tract. H1N1pdm induced the highest and most rapid antibody response followed by seasonal A/H3N2, seasonal A/H1N1 and seasonal influenza B (with B/Hubei-Wujiagang/158/2009 inducing the weakest response. Our study is the first to compare the clinical features of multiple circulating influenza strains in ferrets. These findings will help to characterize the clinical pictures of specific influenza strains as well as give insights into the development and administration of appropriate influenza therapeutics.

  9. The molecular structure of the borate mineral inderite Mg(H4B3O7)(OH) · 5H2O--a vibrational spectroscopic study.

    Science.gov (United States)

    Frost, Ray L; López, Andrés; Xi, Yunfei; Lima, Rosa Malena Fernandes; Scholz, Ricardo; Granja, Amanda

    2013-12-01

    We have undertaken a study of the mineral inderite Mg(H4B3O7)(OH) · 5H2O a hydrated hydroxy borate mineral of magnesium using scanning electron microscopy, thermogravimetry and vibrational spectroscopic techniques. The structure consists of [Formula: see text] soroborate groups and Mg(OH)2(H2O)4 octahedra interconnected into discrete molecules by the sharing of two OH groups. Thermogravimetry shows a mass loss of 47.2% at 137.5 °C, proving the mineral is thermally unstable. Raman bands at 954, 1047 and 1116 cm(-1) are assigned to the trigonal symmetric stretching mode. The two bands at 880 and 916 cm(-1) are attributed to the symmetric stretching mode of the tetrahedral boron. Both the Raman and infrared spectra of inderite show complexity. Raman bands are observed at 3052, 3233, 3330, 3392 attributed to water stretching vibrations and 3459 cm(-1) with sharper bands at 3459, 3530 and 3562 cm(-1) assigned to OH stretching vibrations. Vibrational spectroscopy is used to assess the molecular structure of inderite. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. In vivo 1H MR spectroscopy of thyroid carcinoma

    International Nuclear Information System (INIS)

    King, Ann D.; Yeung, David K.W.; Ahuja, Anil T.; Tse, Gary M.K.; Chan, Amy B.W.; Lam, Sherlock S.L.; Hasselt, Andrew C. van

    2005-01-01

    To determine if proton magnetic resonance spectroscopy ( 1 H MRS) of thyroid carcinoma is feasible and to determine if 1 H MRS spectra of malignant tumors differ from that of normal thyroid tissue. We performed 1 H MRS at 1.5 T at echo-times (TE) 136 and 272 ms to examine eight patients with thyroid cancer (primary tumour or nodal metastasis) larger than 1 cm 3 in size and five volunteers with normal thyroids. Spectra acquired from six primary tumors (three anaplastic carcinomas, two papillary carcinomas and one follicular carcinoma) and two nodes (two papillary carcinoma metastases) were analyzed in the time-domain using a non-linear least squares fitting algorithm with incorporation of prior knowledge. Choline (3.2 ppm) was identified in all solid carcinomas with a mean choline/creatine of 4.3 at TE 136 ms and 5.4 at TE 272 ms. Ratios for malignant tumors at TE 136 ms ranged from 1.6 in well differentiated follicular carcinoma to 9.4 in anaplastic carcinoma. No choline was detected in normal thyroid tissues. Our results showed that 1 H MRS is a feasible technique for the evaluation of malignant thyroid tumors larger than 1 cm 3 and that proton spectra of malignant tumors differ from that of normal thyroid tissue

  11. Radiation dose-dependent change in brain 1H-MRS

    International Nuclear Information System (INIS)

    Matsushima, Shigeru; Muroka, Mamoru; Uchiyama, Yukio; Morita, Kozo; Nomoto, Yoshihito; Kinosada, Yasutomi.

    1994-01-01

    We have investigated the usefulness of 1 H-magnetic resonance spectroscopy ( 1 H-MRS) for the assessment of acute radiation damage of the human brain. Nineteen patients were treated with the whole brain irradiation. Biochemical changes in white matter were measured by in vivo 1 H-MRS. The measurement was performed 1 or 2 times in each case at radiation doses ranging from 0 to 44.4 Gy with conventional fractionation (2 Gy per fraction, once a day) or accelerated hyperfractionation (1.5 Gy per fraction, twice a day). For the measurement of 1 H-MRS, 1.5T whole body MR system was used and stimulated echo acquisition mode (STEAM) with chemical shift selective (CHESS) pulse was applied. Volume of the interest (VOI) was 2.5 x 2.5 x 2.5 cm 3 , and the repetition time and echo time were 2000 ms and 272 ms, respectively. The acute radiation damage of the brain was evaluated by the change of peak area ratio (PAR) of choline, creatine and N-acetylaspartate (NAA). 1 H-MR spectra obtained before irradiation were different from those observed during irradiation. There were statistically significant (p 1 H-MRS can be useful for assessment of acute radiation damage. (author)

  12. Different reaction of core histones H2A and H2B to the red laser radiation

    Directory of Open Access Journals (Sweden)

    Brill G.E.

    2017-09-01

    Full Text Available Aim: to investigate the influence of red laser irradiation on the processes of self-assembly of core histones H2A and H2B. Material and Methods. Solutions of human histone proteins were used in the work. Self-assembly was studied by the method of wedge dehydration. Image facies analysis consisted in their qualitative characterization and calculation of quantitative indicators with subsequent statistical processing. Results. It was established that linearly polarized laser light of the red region of the spectrum (A=660 nm, 1 J/cm2 significantly modifies the process of self-assembly of core histone H2B, while the structure of the facies of H2A histone changing to a lesser extent. Conclusion. Red laser radiation influences on the on the processes of self-assembly of core histones H2A and H2B. There is a differential sensitivity of different classes of histones to laser action. Histone proteins used in the experiments are present in the form of aqueous salt solutions. Red light realizes the effect seems to be due to the formation of singlet oxygen by direct laser excitation of molecular oxygen.

  13. Natural co-infection of influenza A/H3N2 and A/H1N1pdm09 viruses resulting in a reassortant A/H3N2 virus.

    Science.gov (United States)

    Rith, Sareth; Chin, Savuth; Sar, Borann; Y, Phalla; Horm, Srey Viseth; Ly, Sovann; Buchy, Philippe; Dussart, Philippe; Horwood, Paul F

    2015-12-01

    Despite annual co-circulation of different subtypes of seasonal influenza, co-infections between different viruses are rarely detected. These co-infections can result in the emergence of reassortant progeny. We document the detection of an influenza co-infection, between influenza A/H3N2 with A/H1N1pdm09 viruses, which occurred in a 3 year old male in Cambodia during April 2014. Both viruses were detected in the patient at relatively high viral loads (as determined by real-time RT-PCR CT values), which is unusual for influenza co-infections. As reassortment can occur between co-infected influenza A strains we isolated plaque purified clonal viral populations from the clinical material of the patient infected with A/H3N2 and A/H1N1pdm09. Complete genome sequences were completed for 7 clonal viruses to determine if any reassorted viruses were generated during the influenza virus co-infection. Although most of the viral sequences were consistent with wild-type A/H3N2 or A/H1N1pdm09, one reassortant A/H3N2 virus was isolated which contained an A/H1N1pdm09 NS1 gene fragment. The reassortant virus was viable and able to infect cells, as judged by successful passage in MDCK cells, achieving a TCID50 of 10(4)/ml at passage number two. There is no evidence that the reassortant virus was transmitted further. The co-infection occurred during a period when co-circulation of A/H3N2 and A/H1N1pdm09 was detected in Cambodia. It is unclear how often influenza co-infections occur, but laboratories should consider influenza co-infections during routine surveillance activities. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

  14. Photochemical degradation of diethyl phthalate with UV/H2O2

    International Nuclear Information System (INIS)

    Xu Bin; Gao Naiyun; Sun Xiaofeng; Xia Shengji; Rui Min; Simonnot, Marie-Odile; Causserand, Christel; Zhao Jianfu

    2007-01-01

    The decomposition of diethyl phthalate (DEP) in water using UV-H 2 O 2 process was investigated in this paper. DEP cannot be effectively removed by UV radiation and H 2 O 2 oxidation alone, while UV-H 2 O 2 combination process proved to be effective and could degrade this compound completely. With initial concentration about 1.0 mg/L, more than 98.6% of DEP can be removed at time of 60 min under intensity of UV radiation of 133.9 μW/cm 2 and H 2 O 2 dosage of 20 mg/L. The effects of applied H 2 O 2 dose, UV radiation intensity, water temperature and initial concentration of DEP on the degradation of DEP have been examined in this study. Degradation mechanisms of DEP with hydroxyl radicals oxidation also have been discussed. Removal rate of DEP was sensitive to the operational parameters. A simple kinetic model is proposed which confirms to pseudo-first order reaction. There is a linear relationship between rate constant k and UV intensity and H 2 O 2 concentration

  15. STAR FORMATION ACTIVITY IN THE GALACTIC H II REGION Sh2-297

    International Nuclear Information System (INIS)

    Mallick, K. K.; Ojha, D. K.; Dewangan, L. K.; Samal, M. R.; Pandey, A. K.; Bhatt, B. C.; Ghosh, S. K.; Tamura, M.

    2012-01-01

    We present a multiwavelength study of the Galactic H II region Sh2-297, located in the Canis Major OB1 complex. Optical spectroscopic observations are used to constrain the spectral type of ionizing star HD 53623 as B0V. The classical nature of this H II region is affirmed by the low values of electron density and emission measure, which are calculated to be 756 cm –3 and 9.15 × 10 5 cm –6 pc using the radio continuum observations at 610 and 1280 MHz, and Very Large Array archival data at 1420 MHz. To understand local star formation, we identified the young stellar object (YSO) candidates in a region of area ∼7.'5 × 7.'5 centered on Sh2-297 using grism slitless spectroscopy (to identify the Hα emission line stars), and near infrared (NIR) observations. NIR YSO candidates are further classified into various evolutionary stages using color-color and color-magnitude (CM) diagrams, giving 50 red sources (H – K > 0.6) and 26 Class II-like sources. The mass and age range of the YSOs are estimated to be ∼0.1-2 M ☉ and 0.5-2 Myr using optical (V/V–I) and NIR (J/J–H) CM diagrams. The mean age of the YSOs is found to be ∼1 Myr, which is of the order of dynamical age of 1.07 Myr of the H II region. Using the estimated range of visual extinction (1.1-25 mag) from literature and NIR data for the region, spectral energy distribution models have been implemented for selected YSOs which show masses and ages to be consistent with estimated values. The spatial distribution of YSOs shows an evolutionary sequence, suggesting triggered star formation in the region. The star formation seems to have propagated from the ionizing star toward the cold dark cloud LDN1657A located west of Sh2-297.

  16. Star Formation Activity in the Galactic H II Region Sh2-297

    Science.gov (United States)

    Mallick, K. K.; Ojha, D. K.; Samal, M. R.; Pandey, A. K.; Bhatt, B. C.; Ghosh, S. K.; Dewangan, L. K.; Tamura, M.

    2012-11-01

    We present a multiwavelength study of the Galactic H II region Sh2-297, located in the Canis Major OB1 complex. Optical spectroscopic observations are used to constrain the spectral type of ionizing star HD 53623 as B0V. The classical nature of this H II region is affirmed by the low values of electron density and emission measure, which are calculated to be 756 cm-3 and 9.15 × 105 cm-6 pc using the radio continuum observations at 610 and 1280 MHz, and Very Large Array archival data at 1420 MHz. To understand local star formation, we identified the young stellar object (YSO) candidates in a region of area ~7farcm5 × 7farcm5 centered on Sh2-297 using grism slitless spectroscopy (to identify the Hα emission line stars), and near infrared (NIR) observations. NIR YSO candidates are further classified into various evolutionary stages using color-color and color-magnitude (CM) diagrams, giving 50 red sources (H - K > 0.6) and 26 Class II-like sources. The mass and age range of the YSOs are estimated to be ~0.1-2 M ⊙ and 0.5-2 Myr using optical (V/V-I) and NIR (J/J-H) CM diagrams. The mean age of the YSOs is found to be ~1 Myr, which is of the order of dynamical age of 1.07 Myr of the H II region. Using the estimated range of visual extinction (1.1-25 mag) from literature and NIR data for the region, spectral energy distribution models have been implemented for selected YSOs which show masses and ages to be consistent with estimated values. The spatial distribution of YSOs shows an evolutionary sequence, suggesting triggered star formation in the region. The star formation seems to have propagated from the ionizing star toward the cold dark cloud LDN1657A located west of Sh2-297.

  17. 5-[(E-(2-Hydroxybenzylideneamino]-1H-1,3-benzimidazole-2(3H-thione

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-01-01

    Full Text Available There are two molecules in the asymmetric unit of the title compound, C14H11N3OS. In each, the benzimidazole ring system is essentially planar, with maximum deviations of 0.010 (2 and 0.006 (2 Å, and makes dihedral angles of 8.70 (9 and 13.75 (8°, respectively, with the hydroxy-substituted benzene rings. Each molecule adopts an E configuration about the central C=N double bond. In the crystal, the two independent molecules are connected via intermolecular N—H...S hydrogen bonds, forming dimers. Furthermore, the dimers are connected by N—H...O hydrogen bonds into molecular ribbons along the c axis. There is an intramolecular O—H...N hydrogen bond in each molecule, which generates an S(6 ring motif.

  18. Acidic pH facilitates peripheral αβmeATP-mediated nociception in rats: differential roles of P2X, P2Y, ASIC and TRPV1 receptors in ATP-induced mechanical allodynia and thermal hyperalgesia.

    Science.gov (United States)

    Seo, Hyoung-Sig; Roh, Dae-Hyun; Kwon, Soon-Gu; Yoon, Seo-Yeon; Kang, Suk-Yun; Moon, Ji-Young; Choi, Sheu-Ran; Beitz, Alvin J; Lee, Jang-Hern

    2011-03-01

    Peripheral ischemia is commonly associated with an increase in tissue ATP concentration and a decrease in tissue pH. Although in vitro data suggest that low tissue pH can affect ATP-binding affinities to P2 receptors, the mechanistic relationship between ATP and low pH on peripheral nociception has not been fully examined. This study was designed to investigate the potential role of an acidified environment on intraplantar αβmeATP-induced peripheral pain responses in rats. The mechanical allodynia (MA) produced by injection of αβmeATP was significantly increased in animals that received the drug diluted in pH 4.0 saline compared to those that received the drug diluted in pH 7.0 saline. Moreover, animals injected with αβmeATP (100 nmol) in pH 4.0 saline developed thermal hyperalgesia (TH), which did not occur in animals treated with αβmeATP diluted in pH 7.0 saline. To elucidate which receptors were involved in this pH-related facilitation of αβmeATP-induced MA and TH, rats were pretreated with PPADS (P2 antagonist), TNP-ATP (P2X antagonist), MRS2179 (P2Y1 antagonist), AMG9810 (TRPV1 antagonist) or amiloride (ASIC blocker). Both PPADS and TNP-ATP dose-dependently blocked pH-facilitated MA, while TH was significantly reduced by pre-treatment with MRS2179 or AMG9810. Moreover, amiloride injection significantly reduced low pH-induced facilitation of αβmeATP-mediated MA, but not TH. These results demonstrate that low tissue pH facilitates ATP-mediated MA via the activation of P2X receptors and ASICs, whereas TH induced by ATP under low pH conditions is mediated by the P2Y1 receptor and TRPV1, but not ASIC. Thus distinct mechanisms are responsible for the development of MA and TH under conditions of tissue acidosis and increased ATP. Copyright © 2010 Elsevier Ltd. All rights reserved.

  19. Alkaline-Acid Zn-H2 O Fuel Cell for the Simultaneous Generation of Hydrogen and Electricity.

    Science.gov (United States)

    Cai, Pingwei; Li, Yan; Wang, Genxiang; Wen, Zhenhai

    2018-04-03

    An alkaline-acid Zn-H 2 O fuel cell is proposed for the simultaneous generation of electricity with an open circuit voltage of about 1.25 V and production of H 2 with almost 100 % Faradic efficiency. We demonstrate that, as a result of harvesting energy from both electrochemical neutralization and electrochemical Zn oxidation, the as-developed hybrid cell can deliver a power density of up to 80 mW cm -2 and an energy density of 934 Wh kg -1 and maintain long-term stability for H 2 production with an output voltage of 1.16 V at a current density of 10 mA cm -2 . © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. High-rate synthesis of microcrystalline silicon films using high-density SiH4/H2 microwave plasma

    International Nuclear Information System (INIS)

    Jia, Haijun; Saha, Jhantu K.; Ohse, Naoyuki; Shirai, Hajime

    2007-01-01

    A high electron density (> 10 11 cm -3 ) and low electron temperature (1-2 eV) plasma is produced by using a microwave plasma source utilizing a spoke antenna, and is applied for the high-rate synthesis of high quality microcrystalline silicon (μc-Si) films. A very fast deposition rate of ∼ 65 A/s is achieved at a substrate temperature of 150 deg. C with a high Raman crystallinity and a low defect density of (1-2) x 10 16 cm -3 . Optical emission spectroscopy measurements reveal that emission intensity of SiH and intensity ratio of H α /SiH are good monitors for film deposition rate and film crystallinity, respectively. A high flux of film deposition precursor and atomic hydrogen under a moderate substrate temperature condition is effective for the fast deposition of highly crystallized μc-Si films without creating additional defects as well as for the improvement of film homogeneity

  1. Estimation of human percutaneous bioavailability for two novel brominated flame retardants, 2-ethylhexyl 2,3,4,5-tetrabromobenzoate (EH-TBB) and bis(2-ethylhexyl) tetrabromophthalate (BEH-TEBP)

    International Nuclear Information System (INIS)

    Knudsen, Gabriel A.; Hughes, Michael F.; Sanders, J. Michael; Hall, Samantha M.; Birnbaum, Linda S.

    2016-01-01

    2-Ethylhexyl-2,3,4,5-tetrabromobenzoate (EH-TBB) and bis(2-ethylhexyl)tetrabromophthalate (BEH-TEBP) are novel brominated flame retardants used in consumer products. A parallelogram approach was used to predict human dermal absorption and flux for EH-TBB and BEH-TEBP. [ 14 C]-EH-TBB or [ 14 C]-BEH-TEBP was applied to human or rat skin at 100 nmol/cm 2 using a flow-through system. Intact rats received analogous dermal doses. Treated skin was washed and tape-stripped to remove “unabsorbed” [ 14 C]-radioactivity after continuous exposure (24 h). “Absorbed” was quantified using dermally retained [ 14 C]-radioactivity; “penetrated” was calculated based on [ 14 C]-radioactivity in media (in vitro) or excreta + tissues (in vivo). Human skin absorbed EH-TBB (24 ± 1%) while 0.2 ± 0.1% penetrated skin. Rat skin absorbed more (51 ± 10%) and was more permeable (2 ± 0.5%) to EH-TBB in vitro; maximal EH-TBB flux was 11 ± 7 and 102 ± 24 pmol-eq/cm 2 /h for human and rat skin, respectively. In vivo, 27 ± 5% was absorbed and 13% reached systemic circulation after 24 h (maximum flux was 464 ± 65 pmol-eq/cm 2 /h). BEH-TEBP in vitro penetrance was minimal (< 0.01%) for rat or human skin. BEH-TEBP absorption was 12 ± 11% for human skin and 41 ± 3% for rat skin. In vivo, total absorption was 27 ± 9%; 1.2% reached systemic circulation. In vitro maximal BEH-TEBP flux was 0.3 ± 0.2 and 1 ± 0.3 pmol-eq/cm 2 /h for human and rat skin; in vivo maximum flux for rat skin was 16 ± 7 pmol-eq/cm 2 /h. EH-TBB was metabolized in rat and human skin to tetrabromobenzoic acid. BEH-TEBP-derived [ 14 C]-radioactivity in the perfusion media could not be characterized. < 1% of the dose of EH-TBB and BEH-TEHP is estimated to reach the systemic circulation following human dermal exposure under the conditions tested. Chemical compounds studied in this article: 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate (PubChem CID: 71316600; CAS No. 183658-27-7 FW: 549.92 g/mol logP est : 7.73–8

  2. The solubility of gold in H 2 O-H 2 S vapour at elevated temperature and pressure

    Science.gov (United States)

    Zezin, Denis Yu.; Migdisov, Artashes A.; Williams-Jones, Anthony E.

    2011-09-01

    This experimental study sheds light on the complexation of gold in reduced sulphur-bearing vapour, specifically, in H 2O-H 2S gas mixtures. The solubility of gold was determined in experiments at temperatures of 300, 350 and 365 °C and reached 2.2, 6.6 and 6.3 μg/kg, respectively. The density of the vapour varied from 0.02 to 0.22 g/cm 3, the mole fraction of H 2S varied from 0.03 to 0.96, and the pressure in the cell reached 263 bar. Statistically significant correlations of the amount of gold dissolved in the fluid with the fugacity of H 2O and H 2S permit the experimental data to be fitted to a solvation/hydration model. According to this model, the solubility of gold in H 2O-H 2S gas mixtures is controlled by the formation of sulphide or bisulphide species solvated by H 2S or H 2O molecules. Formation of gold sulphide species is favoured statistically over gold bisulphide species and thus the gold is interpreted to dissolve according to reactions of the form: Au(s)+(n+1)HS(g)=AuS·(HS)n(g)+H(g) Au(s)+HS(g)+mHO(g)=AuS·(HO)m(g)+H(g) Equilibrium constants for Reaction (A1) and the corresponding solvation numbers ( K A1 and n) were evaluated from the study of Zezin et al. (2007). The equilibrium constants as well as the hydration numbers for Reaction (A2) ( K A2 and m) were adjusted simultaneously by a custom-designed optimization algorithm and were tested statistically. The resulting values of log K A2 and m are -15.3 and 2.3 at 300 and 350 °C and -15.1 and 2.2 at 365 °C, respectively. Using the calculated stoichiometry and stability of Reactions (A1) and (A2), it is now possible to quantitatively evaluate the contribution of reduced sulphur species to the transport of gold in aqueous vapour at temperatures up to 365 °C. This information will find application in modelling gold ore-forming processes in vapour-bearing magmatic hydrothermal systems, notably those of epithermal environments.

  3. Structure of Chloro bis(1,10-phenanthroline)Cobalt(II) Complex, [Co(phen)2(Cl)(H2O)]Cl · 2H2O

    International Nuclear Information System (INIS)

    Zhao, Pu Su; Lu, Lu De; Jian, Fang Fang

    2003-01-01

    The crystal structure of [Co(phen) 2 (Cl)(H 2 O)] Cl · 2H 2 O(phen=1,10-phenanthroline) has been determined by X-ray crystallography. It crystallizes in the triclinic system, space group P 1 , with lattice parameters a=9.662(2), b=11.445(1), c=13.037(2)A, α=64.02(1), β=86.364(9), γ=78.58(2) .deg., and Z=2. The coordinated cations contain a six-coordinated cobalt atom chelated by two phen ligands and one chloride anion and one water ligand in cis arrangement. In addition to the chloride coordinated to the cobalt, there are one chloride ion and four water molecules which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds, within which exists the strongest hydrogen bond (O(3)-O(4)=2.33A). The intermolecular hydrogen bonds connect the [Co(phen) 2 (Cl)(H 2 O)] 1+ , H 2 O moieties and chloride ion

  4. Bis[tris(1H-pyrazol-1-yl-κN2methane]nickel(II bis{[tris(1H-pyrazol-1-yl-κN2methane]tris(thiocyanato-κNnickelate(II} methanol disolvate

    Directory of Open Access Journals (Sweden)

    Ganna Lyubartseva

    2011-12-01

    Full Text Available Attempts to prepare the mononuclear [(tpmNiIIL3]−1 [tpm = tris(1H-pyrazol-1-ylmethane and L = thiocyanate] anion yielded the methanol-solvated salt, [(tpm2NiII][(tpmNiII(NCS3]2·2CH3OH or [Ni(C10H10N62][Ni(NCS3(C10H10N6]2·2CH3OH. The asymmetric unit consists of half a centrosymmetric bis[tris(1H-pyrazol-1-ylmethane]nickel(II cation and an octahedral nickelate(II anion bound to one tpm and three L ligands, and a methanol solvent molecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650 (3 and 0.350 (3. There are O—H...S interactions between the methanol and the disordered thiocyanate anion, and a weak C—H...O hydrogen bond between the cation and the methanol O atom.

  5. A first principle Comparative study of electronic and optical properties of 1H –MoS2 and 2H –MoS2

    International Nuclear Information System (INIS)

    Kumar, Ashok; Ahluwalia, P.K.

    2012-01-01

    First principle calculations of electronic and optical properties of monolayer MoS 2 , so called 1H –MoS 2 , is performed which has emerged as a new direct band gap semiconductor. Before calculations of the properties of 1H –MoS 2 , we have calculated structural parameters, electronic properties (electronic band structure and electronic density of states) and frequency dependent optical response (real and imaginary part of dielectric function, energy loss function, absorption and reflectance spectra) of 2H –MoS 2 and compared with existing experimental results and found that our calculated results are in very good agreements with experimental results. To compare the dielectric functions of bulk (2H –MoS 2 ) and monolayer (1H –MoS 2 ) phases we have further extended these calculations to the single layer MoS 2 (1H –MoS 2 ) which is analogous to graphene. Structural parameters of 1H –MoS 2 are found very close to its bulk 2H –MoS 2 . We find direct electronic band gap at ‘K’ high symmetry point as compared to indirect band gap in its bulk 2H – MoS2. Our calculated dielectric function for 1H – MoS2 shows structure at nearly same energy positions as compared to 2H – MoS2 with additional structure at 3.8 eV. Also additional well defined energy loss peaks revealing the plasmonic resonances at 15.7 eV and 16.0 eV for E vector perpendicular and parallel to c axis respectively for 1H – MoS2 have been found, which are the signatures of surface plasmons at these energies. -- Highlights: ► Structural parameters of 2H-MoS2 and 1H-MoS2 are nearly identical. ► States around the Fermi energy are mainly due to the metal d states. ► Strong hybridization between Mo-d and S-p states below the Fermi energy has been found. ► Optical spectra of 2H-MoS2 finds very good agreements with experimental optical spectra. ► The band gap is found to be direct for 1H-MoS2 as compared to indirect for 2H-MoS2.

  6. A new ab initio potential energy surface for the collisional excitation of HCN by para- and ortho-H{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Denis-Alpizar, Otoniel, E-mail: otonieldenisalpizar@gmail.com [Université de Bordeaux, ISM, CNRS UMR 5255, 33405 Talence Cedex (France); Departamento de Física, Universidad de Matanzas, Matanzas 40100 (Cuba); Kalugina, Yulia [LOMC - UMR 6294, CNRS-Université du Havre, 25 rue Philippe Lebon, BP 540, 76058, Le Havre (France); Department of Optics and Spectroscopy, Tomsk State University, 36 Lenin av., Tomsk 634050 (Russian Federation); Stoecklin, Thierry [Université de Bordeaux, ISM, CNRS UMR 5255, 33405 Talence Cedex (France); Vera, Mario Hernández [LOMC - UMR 6294, CNRS-Université du Havre, 25 rue Philippe Lebon, BP 540, 76058, Le Havre (France); Instituto Superior de Tecnologías y Ciencias Aplicadas, Quinta de Los Molinos, Plaza, La Habana 10600 (Cuba); Lique, François, E-mail: francois.lique@univ-lehavre.fr [Departamento de Física, Universidad de Matanzas, Matanzas 40100 (Cuba)

    2013-12-14

    We present a new four-dimensional potential energy surface for the collisional excitation of HCN by H{sub 2}. Ab initio calculations of the HCN–H{sub 2} van der Waals complex, considering both molecules as rigid rotors, were carried out at the explicitly correlated coupled cluster with single, double, and perturbative triple excitations [CCSD(T)-F12a] level of theory using an augmented correlation-consistent triple zeta (aVTZ) basis set. The equilibrium structure is linear HCN–H{sub 2} with the nitrogen pointing towards H{sub 2} at an intermolecular separation of 7.20 a{sub 0}. The corresponding well depth is −195.20 cm{sup −1}. A secondary minimum of −183.59 cm{sup −1} was found for a T-shape configuration with the H of HCN pointing to the center of mass of H{sub 2}. We also determine the rovibrational energy levels of the HCN–para-H{sub 2} and HCN–ortho-H{sub 2} complexes. The calculated dissociation energies for the para and ortho complexes are 37.79 cm{sup −1} and 60.26 cm{sup −1}, respectively. The calculated ro-vibrational transitions in the HCN–H{sub 2} complex are found to agree by more than 0.5% with the available experimental data, confirming the accuracy of the potential energy surface.

  7. Intermolecular potential and rovibrational states of the H2O–D2 complex

    International Nuclear Information System (INIS)

    Avoird, Ad van der; Scribano, Yohann; Faure, Alexandre; Weida, Miles J.; Fair, Joanna R.; Nesbitt, David J.

    2012-01-01

    Graphical abstract: H 2 O–D 2 potential surface and pH 2 O–oD 2 ground state wave function, for planar geometries. Highlights: ► The interaction between H 2 O and H 2 is of great astrophysical interest. ► The rovibrational states of H 2 O–D 2 were computed on an ab initio potential surface. ► Results are compared with the rovibrational states of H 2 O–H 2 computed recently. ► We measured the high-resolution infrared spectrum of H 2 O–D 2 in the H 2 O bend region. ► Comparison with the calculations provides information on H 2 O–H 2 potential surface. - Abstract: A five-dimensional intermolecular potential for H 2 O–D 2 was obtained from the full nine-dimensional ab initio potential surface of Valiron et al. [P. Valiron, M. Wernli, A. Faure, L. Wiesenfeld, C. Rist, S. Kedžuch, J. Noga, J. Chem. Phys. 129 (2008) 134306] by averaging over the ground state vibrational wave functions of H 2 O and D 2 . On this five-dimensional potential with a well depth D e of 232.12 cm1 we calculated the bound rovibrational levels of H 2 O–D 2 for total angular momentum J = 0–3. The method used to compute the rovibrational levels is similar to a scattering approach—it involves a basis of coupled free rotor wave functions for the hindered internal rotations and the overall rotation of the dimer—while it uses a discrete variable representation of the intermolecular distance coordinate R. The basis was adapted to the permutation symmetry associated with the para/ortho (p/o) nature of both H 2 O and D 2 , as well as to inversion symmetry. As expected, the H 2 O–D 2 dimer is more strongly bound than its H 2 O–H 2 isotopologue [cf. A. van der Avoird, D.J. Nesbitt, J. Chem. Phys. 134 (2011) 044314], with dissociation energies D 0 of 46.10, 50.59, 67.43, and 73.53 cm1 for pH 2 O–oD 2 , oH 2 O–oD 2 , pH 2 O–pD 2 , and oH 2 O–pD 2 . A rotationally resolved infrared spectrum of H 2 O–D 2 was measured in the frequency region of the H 2 O bend

  8. Insights from LGI1 and CASPR2 potassium channel complex autoantibody subtyping.

    Science.gov (United States)

    Klein, Christopher J; Lennon, Vanda A; Aston, Paula A; McKeon, Andrew; O'Toole, Orna; Quek, Amy; Pittock, Sean J

    2013-02-01

    To determine, in patients identified as seropositive for neuronal voltage-gated potassium channel (VGKC) complex autoantibodies, the spectrum of clinical presentations and frequency of leucine-rich glioma-inactivated protein 1 (LGI1) and contactin-associated protein-like 2 (CASPR2) as defined antigenic neuronal targets in the VGKC macromolecular complex. Retrospective cohort study. Clinical practice, Mayo Clinic Neuroimmunology Laboratory and Department of Neurology. A total of 54 853 patients were evaluated, of whom 1992 were found to be VGKC complex IgG positive. From June 1, 2008, to June 30, 2010, comprehensive service serologic evaluation performed on 54853 patients with unexplained neurologic symptoms identified 1992 patients (4%) who were positive for VGKC complex IgG (values ≥ 0.03 nmol/L). Among 316 seropositive patients evaluated clinically at our institution, 82 (26%) were seropositive for LGI1 IgG and/or CASPR2 IgG. Of these 82 patients, 27% had low (0.03-0.09 nmol/L), 51% had medium (0.10-0.99 nmol/L), and 22% had high (≥ 1.00 nmol/L) VGKC complex IgG values. Leucine-rich glioma-inactivated protein 1 IgG positivity was associated with higher VGKC complex IgG values (PVGKC complex IgG values and varying LGI1 IgG and CASPR2 IgG specificities. The frequent occurrence of LGI1 IgG and CASPR2 IgG in serum samples with low and medium VGKC complex IgG values supports the clinical significance of low values in clinical evaluation. Additional antigenic components of VGKC macromolecular complexes remain to be defined.

  9. 3-Methyl-1-(prop-2-en-1-ylquinoxalin-2(1H-one

    Directory of Open Access Journals (Sweden)

    Youssef Ramli

    2010-07-01

    Full Text Available In the molecule of the title compound, C12H12N2O, the quinoxaline ring is planar with an r.m.s. deviation of 0.007 (15 Å. The dihedral angle between the quinoxaline and propenyl planes is 82.1 (2°. The crystal packing is stabilized by offset π–π stacking between the quinoxaline rings [centroid–centroid distance = 3.8832 (9 Å].

  10. Crystal structures and luminescence properties of two Cd(II) complexes based on 2-(1H-imidazol-1methyl)-6-methyl-1H-benzimidazole

    International Nuclear Information System (INIS)

    Zhang, Yuhong; Meng, Xiangru; Wen, Yu; Li, Peng; Ma, Lin; Zhang, Qiuju

    2015-01-01

    Two new complexes, {[Cd(immb)I 2 ].DMF} n (1) and {[Cd 3 (immb)(btc) 2 ]. H 2 O} n (2) (immb = 2-(1H-imidazol- 1-methyl)-6-methyl-1H-benzimidazole, btc = 1,2,3-benzenetricarboxylate, DMF = dimethyl formamide), have been synthesized and characterized. Single crystal X-ray diffraction shows that 1 exhibits a chain structure constructed by immb ligands bridging Cd(II) ions. In 2, Cd(II) ions are linked by immb ligands with bridging mode and btc3- anions with the μ 221 bonding pattern leading to a 2D structure. Luminescent properties have been investigated in the solid state at room temperature.

  11. The rate constant of the reaction NCN + H2 and its role in NCN and NO modeling in low pressure CH4/O2/N2-flames.

    Science.gov (United States)

    Faßheber, Nancy; Lamoureux, Nathalie; Friedrichs, Gernot

    2015-06-28

    Bimolecular reactions of the NCN radical play a key role in modeling prompt-NO formation in hydrocarbon flames. The rate constant of the so-far neglected reaction NCN + H2 has been experimentally determined behind shock waves under pseudo-first order conditions with H2 as the excess component. NCN3 thermal decomposition has been used as a quantitative high temperature source of NCN radicals, which have been sensitively detected by difference UV laser absorption spectroscopy at [small nu, Greek, tilde] = 30383.11 cm(-1). The experiments were performed at two different total densities of ρ≈ 4.1 × 10(-6) mol cm(-3) and ρ≈ 7.4 × 10(-6) mol cm(-3) (corresponding to pressures between p = 324 mbar and p = 1665 mbar) and revealed a pressure independent reaction. In the temperature range 1057 K rate constant can be represented by the Arrhenius expression k/(cm(3) mol(-1) s(-1)) = 4.1 × 10(13) exp(-101 kJ mol(-1)/RT) (Δlog k = ±0.11). The pressure independent reaction as well as the measured activation energy is consistent with a dominating H abstracting reaction channel yielding the products HNCN + H. The reaction NCN + H2 has been implemented together with a set of reactions for subsequent HNCN and HNC chemistry into the detailed GDFkin3.0_NCN mechanism for NOx flame modeling. Two fuel-rich low-pressure CH4/O2/N2-flames served as examples to quantify the impact of the additional chemical pathways. Although the overall NCN consumption by H2 remains small, significant differences have been observed for NO yields with the updated mechanism. A detailed flux analysis revealed that HNC, mainly arising from HCN/HNC isomerization, plays a decisive role and enhances NO formation through a new HNC → HNCO → NH2→ NH → NO pathway.

  12. A historical perspective of influenza A(H1N2) virus.

    Science.gov (United States)

    Komadina, Naomi; McVernon, Jodie; Hall, Robert; Leder, Karin

    2014-01-01

    The emergence and transition to pandemic status of the influenza A(H1N1)A(H1N1)pdm09) virus in 2009 illustrated the potential for previously circulating human viruses to re-emerge in humans and cause a pandemic after decades of circulating among animals. Within a short time of the initial emergence of A(H1N1)pdm09 virus, novel reassortants were isolated from swine. In late 2011, a variant (v) H3N2 subtype was isolated from humans, and by 2012, the number of persons infected began to increase with limited person-to-person transmission. During 2012 in the United States, an A(H1N2)v virus was transmitted to humans from swine. During the same year, Australia recorded its first H1N2 subtype infection among swine. The A(H3N2)v and A(H1N2)v viruses contained the matrix protein from the A(H1N1)pdm09 virus, raising the possibility of increased transmissibility among humans and underscoring the potential for influenza pandemics of novel swine-origin viruses. We report on the differing histories of A(H1N2) viruses among humans and animals.

  13. Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.

    Science.gov (United States)

    Dobler, Daniel; Reiser, Oliver

    2016-11-04

    An atom-economic reaction sequence to 6-substituted 2-pyrones was developed starting from furfuryl alcohol, a renewable resource made from bran or bagasse, and aldehydes, utilizing a thermal rearrangement of cyclopentadienone epoxides as key step. Derivatives bearing a hydroxyalkyl side chain could be enzymatically resolved, providing access to enantiomerically pure 2-pyrones, or converted to alkenyl-substituted 2-pyrones such as naturally occurring sibirinone, (E)-6-(pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(hept-1-en-1-yl)-2H-pyran-2-one.

  14. Magnetocaloric effect in gadolinium-oxalate framework Gd2(C2O4)3(H2O)6⋅(0⋅6H2O)

    International Nuclear Information System (INIS)

    Sibille, Romain; Didelot, Emilie; Mazet, Thomas; Malaman, Bernard; François, Michel

    2014-01-01

    Magnetic refrigerants incorporating Gd 3+ ions and light organic ligands offer a good balance between isolation of the magnetic centers and their density. We synthesized the framework material Gd 2 (C 2 O 4 ) 3 (H 2 O) 6 ⋅0.6H 2 O by a hydrothermal route and characterized its structure. The honeycomb lattice of Gd 3+ ions interlinked by oxalate ligands in the (a,c) plane ensures their decoupling in terms of magnetic exchange interactions. This is corroborated by magnetic measurements indicating negligible interactions between the Gd 3+ ions in this material. The magnetocaloric effect was evaluated from isothermal magnetization measurements. The maximum entropy change −ΔS M max reaches 75.9 mJ cm −3 K −1 (around 2 K) for a moderate field change (2 T)

  15. Optimization of pH and nitrogen for enhanced hydrogen production by Synechocystis sp. PCC 6803 via statistical and machine learning methods.

    Science.gov (United States)

    Burrows, Elizabeth H; Wong, Weng-Keen; Fern, Xiaoli; Chaplen, Frank W R; Ely, Roger L

    2009-01-01

    The nitrogen (N) concentration and pH of culture media were optimized for increased fermentative hydrogen (H(2)) production from the cyanobacterium, Synechocystis sp. PCC 6803. The optimization was conducted using two procedures, response surface methodology (RSM), which is commonly used, and a memory-based machine learning algorithm, Q2, which has not been used previously in biotechnology applications. Both RSM and Q2 were successful in predicting optimum conditions that yielded higher H(2) than the media reported by Burrows et al., Int J Hydrogen Energy. 2008;33:6092-6099 optimized for N, S, and C (called EHB-1 media hereafter), which itself yielded almost 150 times more H(2) than Synechocystis sp. PCC 6803 grown on sulfur-free BG-11 media. RSM predicted an optimum N concentration of 0.63 mM and pH of 7.77, which yielded 1.70 times more H(2) than EHB-1 media when normalized to chlorophyll concentration (0.68 +/- 0.43 micromol H(2) mg Chl(-1) h(-1)) and 1.35 times more when normalized to optical density (1.62 +/- 0.09 nmol H(2) OD(730) (-1) h(-1)). Q2 predicted an optimum of 0.36 mM N and pH of 7.88, which yielded 1.94 and 1.27 times more H(2) than EHB-1 media when normalized to chlorophyll concentration (0.77 +/- 0.44 micromol H(2) mg Chl(-1) h(-1)) and optical density (1.53 +/- 0.07 nmol H(2) OD(730) (-1) h(-1)), respectively. Both optimization methods have unique benefits and drawbacks that are identified and discussed in this study. (c) 2009 American Institute of Chemical Engineers Biotechnol. Prog., 2009.

  16. Intracellular pH homeostasis and serotonin-induced pH changes in Calliphora salivary glands: the contribution of V-ATPase and carbonic anhydrase.

    Science.gov (United States)

    Schewe, Bettina; Schmälzlin, Elmar; Walz, Bernd

    2008-03-01

    Blowfly salivary gland cells have a vacuolar-type H(+)-ATPase (V-ATPase) in their apical membrane that energizes secretion of a KCl-rich saliva upon stimulation with serotonin (5-hydroxytryptamine, 5-HT). We have used BCECF to study microfluometrically whether V-ATPase and carbonic anhydrase (CA) are involved in intracellular pH (pH(i)) regulation, and we have localized CA activity by histochemistry. We show: (1) mean pH(i) in salivary gland cells is 7.5+/-0.3 pH units (N=96), higher than that expected from passive H(+) distribution; (2) low 5-HT concentrations (0.3-3 nmol l(-1)) induce a dose-dependent acidification of up to 0.2 pH units, with 5-HT concentrations >10 nmol l(-1), causing monophasic or multiphasic pH changes; (3) the acidifying effect of 5-HT is mimicked by bath application of cAMP, forskolin or IBMX; (4) salivary gland cells exhibit CA activity; (5) CA inhibition with acetazolamide and V-ATPase inhibition with concanamycin A lead to a slow acidification of steady-state pH(i); (6) 5-HT stimuli in the presence of acetazolamide induce an alkalinization that can be decreased by simultaneous application of the V-ATPase inhibitor concanamycin A; (7) concanamycin A removes alkali-going components from multiphasic 5-HT-induced pH changes; (8) NHE activity and a Cl(-)-dependent process are involved in generating 5-HT-induced pH changes; (9) the salivary glands probably contain a Na(+)-driven amino acid transporter. We conclude that V-ATPase and CA contribute to steady-state pH(i) regulation and 5-HT-induced outward H(+) pumping does not cause an alkalinization of pH(i) because of cytosolic H(+) accumulation attributable to stimulated cellular respiration and AE activity, masking the alkalizing effect of V-ATPase-mediated acid extrusion.

  17. Nano-mole scale sequential signal assignment by 1 H-detected protein solid-state NMR

    KAUST Repository

    Wang, Songlin; Parthasarathy, Sudhakar; Xiao, Yiling; Nishiyama, Yusuke; Long, Fei; Matsuda, Isamu; Endo, Yuki; Nemoto, Takahiro; Yamauchi, Kazuo; Asakura, Tetsuo; Takeda, Mitsuhiro; Terauchi, Tsutomu; Kainosho, Masatsune; Ishii, Yoshitaka

    2015-01-01

    We present a 3D 1H-detected solid-state NMR (SSNMR) approach for main-chain signal assignments of 10-100 nmol of fully protonated proteins using ultra-fast magic-angle spinning (MAS) at ∼80 kHz by a novel spectral-editing method, which permits drastic spectral simplification. The approach offers ∼110 fold time saving over a traditional 3D 13C-detected SSNMR approach. This journal is © The Royal Society of Chemistry 2015.

  18. Prostaglandin H synthase-mediated bioactivation of the amino acid pyrolysate product Trp P-2

    Energy Technology Data Exchange (ETDEWEB)

    Petry, T.W.; Krauss, R.S.; Eling, T.E.

    1986-08-01

    We report evidence that the mutagen and carcinogen 3-amino-1-methyl-5H pyrido(4,3b)indole (Trp P-2) is a substrate for co-oxidation by prostaglandin H synthase (PHS) in ram seminal vesicle (RSV) microsomes. Trp P-2 serves as a reducing cofactor for the hydroperoxidase activity of PHS as shown by the concentration-dependent inhibition of the hydroperoxidase catalyzed incorporation of molecular oxygen into phenylbutazone. Spectral data suggest that this metabolism results in disruption of the double bond conjugation within the nucleus of the molecule. A single metabolite peak which was dependent upon arachidonic acid and substrate concentration was separated from the parent compound by h.p.l.c. following incubation with RSV microsomes. Co-oxidation of Trp P-2 produced reactive intermediates which bound covalently to microsomal protein (9 nmol/mg) and to calf thymus DNA (475 pmol/mg). Binding was inhibited by indomethacin, and supported by substitution of hydrogen peroxide for arachidonic acid. These data suggest a possible role for PHS in the in situ activation of Trp P-2 to its ultimate carcinogenic form in tissues which contain PHS.

  19. EXPRESIÓN DE IDURONATO 2-SULFATO SULFATASA HUMANA RECOMBINANTE (IDShr EN Pichia pastoris

    Directory of Open Access Journals (Sweden)

    Raúl Alberto Poutou

    2005-06-01

    Full Text Available El objetivo de este trabajo fue expresar la enzima humana iduronato 2-sulfato sulfatasa en la levadura metilotrófica Pichia pastoris. La deficiencia de esta enzima causa una enfermedad denominada Síndrome de Hunter. Siete clones fueron seleccionados por PCR (10, 28, 92, 94, 144, 149 y 153 al amplificar una banda de 826pb, indicativo de la presencia de la IDSh y de la orientación del fragmento. Diferentes medios de cultivo se emplearon en la fase de crecimiento (YPG, YPGli y BMGliY, la fase de inducción fue llevada a cabo cambiando el medio de crecimiento por BMMY. Una vez crecido en YPGli, los clones 10, 28, 144, 149 y 153 mostraron actividad IDS de 1.53, 2.95, 4.35, 4,07 y 4.15 nmol/h mg a las 24, 48, 72 y 120h de inducción respectivamente. El clon 28 produjo 4.21nmol/h mg al crecer en YPG; sólo los clones 92 y 94 produjeron mejores actividades cuando se crecieron en BMGliY; reportando 1.62 y 1.20nmol/mg h respectivamente. La producción de la IDShr se logró en fermentador de 1l, con medio salino (MBS-sF con el clon IDS28. El crecimiento se realizó en cultivo discontinuo utilizando glicerol (fuente de carbono y energía hasta obtener 12.08g/l de biomasa seca. Para el paso de inducción se utilizó un cultivo alimentado con metanol (<1% (v/v; este último sirvió como fuente de carbono y energía e indujo la expresión de IDShr actuando sobre el promotor nativo AOX1 presente en el constructo pPIC9- IDSh. La actividad específica osciló entre 25.4 y 29.36 nmol/mg h. Se destaca que el valor de referencia de nuestro laboratorio para la IDSh en plasma humano es 12.58 nmol/mg h.

  20. Lower and upper chromatic numbers for BSTSs(2h - 1

    Directory of Open Access Journals (Sweden)

    Marco Buratti

    2001-08-01

    Full Text Available In [Discrete Math. 174, (1997 247-259] an infinite class of STSs(2h - 1 was found with the upper chromatic number not(χ=h. We prove that in this class, for all STSs(2h - 1 with h<10, the lower chromatic number coincides with the upper chromatic number, i.e. χ=not(χ=h and moreover, there exists a infinite sub-class of STSs with χ=not(χ=h for any value of h.

  1. Effects of CO, O2, NO, H2O, and irradiation temperature on the radiation-induced oxidation of SO2

    International Nuclear Information System (INIS)

    Tokunaga, Okihiro; Nishimura, Koichi; Suzuki, Nobutake; Washino, Masamitsu

    1977-01-01

    When a SO 2 -H 2 O-O 2 -N 2 gaseous mixture was irradiated by electron beams of 1.5 MeV, SO 2 was easily oxidized to H 2 SO 4 . Effects of CO, O 2 , NO, H 2 O, and irradiation temperature on the radiation-induced oxidation of SO 2 were studied by measuring the SO 2 concentration gas chromatographically. The G(-SO 2 ) increased greatly at the addition of a small amount of O 2 , and then decreased gradually with an increase in the O 2 concentration, i.e., the G(-SO 2 ) values were 0.9, 8.0, and 5.3 for the 0, 0.1, and 20% O 2 concentrations at 100 0 C, respectively (Fig.4). The G(-SO 2 ) was independent of the H 2 O concentration in the range of 0.84 to 8.4% (Fig.5). The G(-SO 2 ) decreased with a rise in the irradiation temperature (Fig.6) and an apparent activation energy of the oxidation reaction of SO 2 obtained was -4.2 kcal.mol -1 . The effects of CO, NO, and O 2 on the G(-SO 2 ) showed that SO 2 was mainly oxidized by OH and O and that the contribution of OH to the oxidation of SO 2 increased with an increase in the O 2 concentration (Table 1). The rate constants for the reactions of SO 2 with OH and O, obtained from competitive reactions of SO 2 with CO and O 2 , were 5.4 x 10 11 cm 3 .mol -1 .sec -1 and 5.0 x 10 11 cm 3 .mol -1 .sec -1 , respectively. (auth.)

  2. Isolation and genetic characterization of avian-like H1N1 and novel ressortant H1N2 influenza viruses from pigs in China.

    Science.gov (United States)

    Yu, Hai; Zhang, Peng-Chao; Zhou, Yan-Jun; Li, Guo-Xin; Pan, Jie; Yan, Li-Ping; Shi, Xiao-Xiao; Liu, Hui-Li; Tong, Guang-Zhi

    2009-08-21

    As pigs are susceptible to both human and avian influenza viruses, they have been proposed to be intermediate hosts or mixing vessels for the generation of pandemic influenza viruses through reassortment or adaptation to the mammalian host. In this study, we reported avian-like H1N1 and novel ressortant H1N2 influenza viruses from pigs in China. Homology and phylogenetic analyses showed that the H1N1 virus (A/swine/Zhejiang/1/07) was closely to avian-like H1N1 viruses and seemed to be derived from the European swine H1N1 viruses, which was for the first time reported in China; and the two H1N2 viruses (A/swine/Shanghai/1/07 and A/swine/Guangxi/13/06) were novel ressortant H1N2 influenza viruses containing genes from the classical swine (HA, NP, M and NS), human (NA and PB1) and avian (PB2 and PA) lineages, which indicted that the reassortment among human, avian, and swine influenza viruses had taken place in pigs in China and resulted in the generation of new viruses. The isolation of avian-like H1N1 influenza virus originated from the European swine H1N1 viruses, especially the emergence of two novel ressortant H1N2 influenza viruses provides further evidence that pigs serve as intermediate hosts or "mixing vessels", and swine influenza virus surveillance in China should be given a high priority.

  3. (S-2-(4-Chlorobenzoyl-1,2,3,4-tetrahydrobenzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH-dione—Synthesis and Crystallographic Studies

    Directory of Open Access Journals (Sweden)

    Adam Mieczkowski

    2017-10-01

    Full Text Available (S-2-(4-Chlorobenzoyl-1,2,3,4-tetrahydrobenzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH-dione was obtained in a three-step, one-pot synthesis, starting from optically pure (S-2-piperazine carboxylic acid dihydrochloride. Selective acylation of the β-nitrogen atom followed by condensation with isatoic anhydride and cyclization with HATU/DIPEA to a seven-member benzodiazepine ring, led to the tricyclic benzodiazepine derivative. Crystallographic studies and initial biological screening were performed for the title compound.

  4. A new ab initio potential energy surface for the collisional excitation of N2H+ by H2

    International Nuclear Information System (INIS)

    Spielfiedel, Annie; Balança, Christian; Feautrier, Nicole; Senent, Maria Luisa; Kalugina, Yulia; Scribano, Yohann; Lique, François

    2015-01-01

    We compute a new potential energy surface (PES) for the study of the inelastic collisions between N 2 H + and H 2 molecules. A preliminary study of the reactivity of N 2 H + with H 2 shows that neglecting reactive channels in collisional excitation studies is certainly valid at low temperatures. The four dimensional (4D) N 2 H + –H 2 PES is obtained from electronic structure calculations using the coupled cluster with single, double, and perturbative triple excitation level of theory. The atoms are described by the augmented correlation consistent triple zeta basis set. Both molecules were treated as rigid rotors. The potential energy surface exhibits a well depth of ≃2530 cm1 . Considering this very deep well, it appears that converged scattering calculations that take into account the rotational structure of both N 2 H + and H 2 should be very difficult to carry out. To overcome this difficulty, the “adiabatic-hindered-rotor” treatment, which allows para-H 2 (j = 0) to be treated as if it were spherical, was used in order to reduce the scattering calculations to a 2D problem. The validity of this approach is checked and we find that cross sections and rate coefficients computed from the adiabatic reduced surface are in very good agreement with the full 4D calculations

  5. A new ab initio potential energy surface for the collisional excitation of N2H(+) by H2.

    Science.gov (United States)

    Spielfiedel, Annie; Senent, Maria Luisa; Kalugina, Yulia; Scribano, Yohann; Balança, Christian; Lique, François; Feautrier, Nicole

    2015-07-14

    We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2H(+) and H2 molecules. A preliminary study of the reactivity of N2H(+) with H2 shows that neglecting reactive channels in collisional excitation studies is certainly valid at low temperatures. The four dimensional (4D) N2H(+)-H2 PES is obtained from electronic structure calculations using the coupled cluster with single, double, and perturbative triple excitation level of theory. The atoms are described by the augmented correlation consistent triple zeta basis set. Both molecules were treated as rigid rotors. The potential energy surface exhibits a well depth of ≃2530 cm(-1). Considering this very deep well, it appears that converged scattering calculations that take into account the rotational structure of both N2H(+) and H2 should be very difficult to carry out. To overcome this difficulty, the "adiabatic-hindered-rotor" treatment, which allows para-H2(j = 0) to be treated as if it were spherical, was used in order to reduce the scattering calculations to a 2D problem. The validity of this approach is checked and we find that cross sections and rate coefficients computed from the adiabatic reduced surface are in very good agreement with the full 4D calculations.

  6. The mid-IR Absorption Cross Sections of α- and β-NAT (HNO3 · 3H2O) in the range 170 to 185 K and of metastable NAD (HNO3 · 2H2O) in the range 172 to 182 K

    Science.gov (United States)

    Iannarelli, R.; Rossi, M. J.

    2015-11-01

    Growth and Fourier transform infrared (FTIR) absorption in transmission of the title nitric acid hydrates have been performed in a stirred flow reactor (SFR) under tight control of the H2O and HNO3 deposition conditions affording a closed mass balance of the binary mixture. The gas and condensed phases have been simultaneously monitored using residual gas mass spectrometry and FTIR absorption spectroscopy, respectively. Barrierless nucleation of the metastable phases of both α-NAT (nitric acid trihydrate) and NAD (nitric acid dihydrate) has been observed when HNO3 was admitted to the SFR in the presence of a macroscopic thin film of pure H2O ice of typically 1 µm thickness. The stable β-NAT phase was spontaneously formed from the precursor α-NAT phase through irreversible thermal rearrangement beginning at 185 K. This facile growth scheme of nitric acid hydrates requires the presence of H2O ice at thicknesses in excess of approximately hundred nanometers. Absolute absorption cross sections in the mid-IR spectral range (700-4000 cm-1) of all three title compounds have been obtained after spectral subtraction of excess pure ice at temperatures characteristic of the upper troposphere/lower stratosphere. Prominent IR absorption frequencies correspond to the antisymmetric nitrate stretch vibration (ν3(NO3-)) in the range 1300 to 1420 cm-1 and the bands of hydrated protons in the range 1670 to 1850 cm-1 in addition to the antisymmetric O-H stretch vibration of bound H2O in the range 3380 to 3430 cm-1 for NAT.

  7. Ethanol oxidation reactions catalyzed by water molecules: CH3CH2OH+n H2O→ CH3CHO+ H2+n H2O (n=0,1,2)

    Science.gov (United States)

    Takahashi, H.; Hisaoka, S.; Nitta, T.

    2002-09-01

    Ab initio density functional theory calculations have been performed to investigate the catalytic role of water molecules in the oxidation reaction of ethanol: CH3CH2OH+n H2O→ CH3CHO+ H2+n H2O (n=0,1,2) . The results show that the potential energy barrier for the reaction is 88.0 kcal/mol in case of n=0, while it is reduced by ˜34 kcal/mol when two water molecules are involved ( n=2) in the reaction. As a result, the rate constant increases to 3.31×10 -4 s-1, which shows a significant catalytic role of water molecules in the ethanol oxidation reactions.

  8. Development of superhigh-strength mortars with compressive strength of 3000kgf/cm sup 2 or higher. 3000kgf/cm sup 2 ijo no asshuku kyodo wo motsu mortar no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    Ohama, Y; Izumura, K [Nihon University, Tokyo (Japan). Collete of Engineering; Hayashi, S [Onoda Cement Co. Ltd., Yamaguchi (Japan)

    1991-08-01

    This paper discusses the preparation factors and curing conditions of superhigh-strength mortar, and explains a method of manufacturing superhigh-strength mortar having still higher strength and its superhigh strength generating mechanism. A recommended cement material for the superhigh-strength mortar is a Portland cement mixed with a high-purity silica at 20% and silica fume at 20%. This was made to a water-cement material ratio of 15% and fine aggregate cement material ratio of 1.06, cured in an autoclave, and further heat-cured at 200{degree}C for one day to obtain a superhigh-strength mortar. The compression and bending strengths reach 2,200 kgf/cm{sup 2} and 180 kgf/cm{sup 2} respectively when used with silica sand, and 3000 kgf/cm{sup 2} and 220 kgf/cm{sup 2} or more when used with stainless steel grits. The heat curing at 200{degree}C for a day increases remarkably the compression strength of the superhigh-strength mortar regardless of the curing conditions before the heat curing. 7 refs., 11 figs., 1 tab.

  9. Syntheses of [5-2H]-uracil, [5-2H]-cytosine, [6-2H]-uracil and [6-2H]-cytosine

    International Nuclear Information System (INIS)

    Kiritani, Reiko; Asano, Takeyoshi; Fujita, Shin-ichi; Dohmaru, Takaaki; Kawanishi, Tetsuro

    1986-01-01

    Syntheses of [5- 2 H]-, [6- 2 H]-uracil and [5- 2 H]-, [6- 2 H]-cytosine were investigated. The catalytic reaction of uracil or cytosine with 2 H 2 gas in alkaline media gave rise to [6- 2 H]-compounds almost exclusively. On the other hand, the reaction of 5-bromouracil or 5-bromocytosine with 2 H 2 gas gave rise to a mixture of [5- 2 H]-, [6- 2 H]- and [5- 2 H, 6- 2 H]-compounds depending on the experimental conditions. By controlling the temperature, the pressure of 2 H 2 gas and the amount of catalyst, [5- 2 H]-uracil and [5- 2 H]-cytosine were obtained. The isotopic distribution in each product was measured by 1 H NMR spectroscopy combined with an HPLC method. (author)

  10. 3-Benzyl-4-ethyl-1H-1,2,4-triazole-5(4H-thione

    Directory of Open Access Journals (Sweden)

    Zbigniew Karczmarzyk

    2013-02-01

    Full Text Available The title compound, C11H13N3S, exists in the 5-thioxo tautomeric form. The benzene ring exhibits disorder with a refined ratio of 0.77 (2:0.23 (2 for components A and B with a common bridgehead C atom. The 1,2,4-triazole ring is essentially planar, with a maximum deviation of 0.002 (3 Å for the benzyl-substituted C atom, and forms dihedral angles of 88.94 (18 and 86.56 (49° with the benzene rings of components A and B, respectively. The angle between the plane of the ethyl chain and the mean plane of 1,2,4-triazole ring is 88.55 (15° and this conformation is stabilized by an intramolecular C—H...S contact. In the crystal, pairs of N—H...S hydrogen bonds link molecules into inversion dimers. π–π interactions are observed between the triazole and benzene rings, with centroid–centroid separations of 3.547 (4 and 3.544 (12 Å for components A and B, and slippages of 0.49 (6 and 0.58 (15 Å, respectively.

  11. 2-Methyl-1H-benzimidazol-3-ium hydrogen phthalate

    Directory of Open Access Journals (Sweden)

    YuanQi Yu

    2011-10-01

    Full Text Available The asymmetric unit of the title compound, C8H9N2+·C8H5O4−, contains two independent ion pairs. In each 2-methyl-1H-benzimidazolium ion, an intramolecular O—H...O bond forms an S(7 graph-set motif. In the crystal, the components are linked by N—H...O hydrogen bonds, forming chains along [210]. Further stabilization is provided by weak C—H...O hydrogen bonds.

  12. Investigation of 1-cm dose equivalent for photons behind shielding materials

    International Nuclear Information System (INIS)

    Hirayama, Hideo; Tanaka, Shun-ichi

    1991-03-01

    The ambient dose equivalent at 1-cm depth, assumed equivalent to the 1-cm dose equivalent in practical dose estimations behind shielding slabs of water, concrete, iron or lead for normally incident photons having various energies was calculated by using conversion factors for a slab phantom. It was compared with the 1-cm depth dose calculated with the Monte Carlo code EGS4. It was concluded from this comparison that the ambient dose equivalent calculated by using the conversion factors for the ICRU sphere could be used for the evaluation of the 1-cm dose equivalent for the sphere phantom within 20% errors. Average and practical conversion factors are defined as the conversion factors from exposure to ambient dose equivalent in a finite slab or an infinite one, respectively. They were calculated with EGS4 and the discrete ordinates code PALLAS. The exposure calculated with simple estimation procedures such as point kernel methods can be easily converted to ambient dose equivalent by using these conversion factors. The maximum value between 1 and 30 mfp can be adopted as the conversion factor which depends only on material and incident photon energy. This gives the ambient dose equivalent on the safe side. 13 refs., 7 figs., 2 tabs

  13. Novel reassortant of swine influenza H1N2 virus in Germany.

    Science.gov (United States)

    Zell, Roland; Motzke, Susann; Krumbholz, Andi; Wutzler, Peter; Herwig, Volker; Dürrwald, Ralf

    2008-01-01

    European porcine H1N2 influenza viruses arose after multiple reassortment steps involving a porcine influenza virus with avian-influenza-like internal segments and human H1N1 and H3N2 viruses in 1994. In Germany, H1N2 swine influenza viruses first appeared in 2000. Two German H1N2 swine influenza virus strains isolated from pigs with clinical symptoms of influenza are described. They were characterized by the neutralization test, haemagglutination inhibition (HI) test and complete sequencing of the viral genomes. The data demonstrate that these viruses represent a novel H1N2 reassortant. The viruses showed limited neutralization by sera raised against heterologous A/sw/Bakum/1,832/00-like H1N2 viruses. Sera pools from recovered pigs showed a considerably lower HI reaction, indicative of diagnostic difficulties in using the HI test to detect these viruses with A/sw/Bakum/1,832/00-like H1N2 antigens. Genome sequencing revealed the novel combination of the human-like HAH1 gene of European porcine H1N2 influenza viruses and the NAN2 gene of European porcine H3N2 viruses.

  14. Endogenous and exogenous porphyrins as photosensitizers in the Hep-2 human carcinoma cell line.

    Science.gov (United States)

    Alvarez, M G; Milanesio, M; Rivarola, V; Durantini, E; Batlle, A; Fukuda, H

    2009-07-01

    The photodynamic activity of three photosensitizers (PS): AL-induced PPIX, the porphyrin derivative 5-(4-trimethylammoniumphenyl)-10, 5, 20-tris (2,4,6- trimethoxyphenyl) porphyrin (CP) and the molecular dyad porphyrin-C(60) (P-C(60)), the last two incorporated into liposomal vesicles, was evaluated on Hep-2 human larynx carcinoma cell line. ALA-induced accumulation of the endogenous PS PPIX, reached saturation values between 5 and 24 h incubation time; the maximal PPIX content was 5.7 nmol/106 cells. The same intracellular level was accumulated when the cationic porphyrin CP was used, while the amount of P-C(60) attained was 1.5 nmol/106 cells. Under violet-blue exciting light, the fluorescence of PPIX and P-C(60) was found in the cytoplasm showing a granular appearance indicating lysosomal localization. CP was mainly detected as a filamentous pattern characteristic of mitochondrial localization. No dark cytotoxicity was observed using 1mM ALA, 5 microM CP and 1 microM P-C(60) after 24 h incubation. Cell morphology was analyzed using Hoechst-33258, toluidine blue staining, TUNEL assay and DNA fragmentation, 24 h after irradiation with 54 J/cm2. When photosensitized with ALA and P-C(60), chromatine condensation characteristic of apoptotic cell death was found; instead, 58 % of necrotic cells were observed with CP. The results show that in the Hep-2 cells, of the three PS analyzed, the molecular dyad P-C(60) was more efficient than CP and PPIX, and confirm that PDT can induce different mechanisms of cell death depending on the PS and the irradiation dose.

  15. CHEMICAL COMPLEXITY IN THE HELIX NEBULA: MULTI-LINE OBSERVATIONS OF H{sub 2}CO, HCO{sup +}, AND CO

    Energy Technology Data Exchange (ETDEWEB)

    Zack, L. N.; Ziurys, L. M., E-mail: lziurys@email.arizona.edu [Department of Chemistry, University of Arizona, P.O. Box 210041, Tucson, AZ 85721 (United States)

    2013-03-10

    Observations of CO, HCO{sup +}, and H{sub 2}CO have been carried out at nine positions across the Helix Nebula (NGC 7293) using the Submillimeter Telescope and the 12 m antenna of the Arizona Radio Observatory. Measurements of the J = 1 {yields} 0, 2 {yields} 1, and 3 {yields}2 transitions of CO, two transitions of HCO{sup +} (J = 1 {yields} 0 and 3 {yields}2), and five lines of H{sub 2}CO (J{sub Ka,Kc} = 1{sub 0,1} {yields} 0{sub 0,0}, 2{sub 1,2} {yields} 1{sub 1,1}, 2{sub 0,2} {yields} 1{sub 0,1}, 2{sub 1,1} {yields} 1{sub 1,0}, and 3{sub 0,3} {yields}2{sub 0,2}) were conducted in the 0.8, 1, 2, and 3 mm bands toward this highly evolved planetary nebula. HCO{sup +} and H{sub 2}CO were detected at all positions, along with three transitions of CO. From a radiative transfer analysis, the kinetic temperature was found to be T{sub K} {approx} 15-40 K across the Helix with a gas density of n(H{sub 2}) {approx} 0.1-5 Multiplication-Sign 10{sup 5} cm{sup -3}. The warmer gas appears to be closer to the central star, but high density material is distributed throughout the nebula. For CO, the column density was found to be N{sub tot} {approx} 0.25-4.5 Multiplication-Sign 10{sup 15} cm{sup -2}, with a fractional abundance of f (CO/H{sub 2}) {approx} 0.3-6 Multiplication-Sign 10{sup -4}. Column densities for HCO{sup +} and H{sub 2}CO were determined to be N{sub tot} {approx} 0.2-5.5 Multiplication-Sign 10{sup 11} cm{sup -2} and 0.2-1.6 Multiplication-Sign 10{sup 12} cm{sup -2}, respectively, with fractional abundances of f (HCO{sup +}/H{sub 2}) {approx} 0.3-7.3 Multiplication-Sign 10{sup -8} and f (H{sub 2}CO/H{sub 2}) {approx} 0.3-2.1 Multiplication-Sign 10{sup -7}-several orders of magnitude higher than predicted by chemical models. Polyatomic molecules in the Helix appear to be well-protected from photodissociation and may actually seed the diffuse interstellar medium.

  16. Genetic divergence of influenza A NS1 gene in pandemic 2009 H1N1 isolates with respect to H1N1 and H3N2 isolates from previous seasonal epidemics

    Directory of Open Access Journals (Sweden)

    Campanini Giulia

    2010-09-01

    Full Text Available Abstract Background The Influenza A pandemic sustained by a new H1N1 variant (H1N1v started in Mexico and the USA at the end of April 2009 spreading worldwide in a few weeks. In this study we investigate the variability of the NS1 gene of the pandemic H1N1v strain with respect to previous seasonal strains circulating in humans and the potential selection of virus variants through isolation in cell culture. Methods During the period April 27th 2009-Jan 15th 2010, 1633 potential 2009 H1N1v cases have been screened at our center using the CDC detection and typing realtime RT-PCR assays. Virus isolation on MDCK cells was systematically performed in 1/10 positive cases. A subset of 51 H1N1v strains isolated in the period May-September 2009 was selected for NS1 gene sequencing. In addition, 15 H1N1 and 47 H3N2 virus isolates from three previous seasonal epidemics (2006-2009 were analyzed in parallel. Results A low variability in the NS1 amino acid (aa sequence among H1N1v isolates was shown (aa identity 99.5%. A slightly higher NS1 variability was observed among H1N1 and H3N2 strains from previous epidemics (aa identity 98.6% and 98.9%, respectively. The H1N1v strains were closely related (aa identity 92.1% to swine reference strain (A/swine/Oklahoma/042169/2008. In contrast, substantial divergence (aa identity 83.4% with respect to human reference strain A/Brevig Mission/1/1918 and previous epidemic strains H1N1 and H3N2 (aa identity 78.9% and 77.6%, respectively was shown. Specific sequence signatures of uncertain significance in the new virus variant were a C-terminus deletion and a T215P substitution. Conclusions The H1N1v NS1 gene was more conserved than that of previous epidemic strains. In addition, a closer genetic identity of H1N1v with the swine than the human reference strains was shown. Hot-spots were shown in the H1N1v NS1 aa sequence whose biologic relevance remains to be investigated.

  17. Differential interaction of hGDH1 and hGDH2 with manganese: Implications for metabolism and toxicity.

    Science.gov (United States)

    Dimovasili, Christina; Aschner, Michael; Plaitakis, Andreas; Zaganas, Ioannis

    2015-09-01

    Manganese (Mn) is an essential trace element that serves as co-factor for many important mammalian enzymes. In humans, the importance of this cation is highlighted by the fact that low levels of Mn cause developmental and metabolic abnormalities and, on the other hand, chronic exposure to excessive amounts of Mn is characterized by neurotoxicity, possibly mediated by perturbation of astrocytic mitochondrial energy metabolism. Here we sought to study the effect of Mn on the two human glutamate dehydrogenases (hGDH1 and hGDH2, respectively), key mitochondrial enzymes involved in numerous cellular processes, including mitochondrial metabolism, glutamate homeostasis and neurotransmission, and cell signaling. Our studies showed that, compared to magnesium (Mg) and calcium (Ca), Mn exerted a significant inhibitory effect on both human isoenzymes with hGDH2 being more sensitive than hGDH1, especially under conditions of low ADP levels. Specifically, in the presence of 0.25 mM ADP, the Mn IC50 was 1.14 ± 0.02 mM and 1.54 ± 0.08 mM for hGDH2 and for hGDH1, respectively (p = 0.0001). Increasing Mn levels potentiated this differential effect, with 3 mM Mn inhibiting hGDH2 by 96.5% and hGDH1 by 70.2%. At 1 mM ADP, the Mn IC50 was 1.84 ± 0.02 mM and 2.04 ± 0.07 mM (p = 0.01) for hGDH2 and hGDH1, respectively, with 3 mM Mn inhibiting hGDH2 by 93.6% and hGDH1 by 70.9%. These results were due to the sigmoidal inhibitory curve of Mn that was more pronounced for hGDH2 than for hGDH1. Indeed, at 0.25 mM, the Hill coefficient value was higher for hGDH2 (3.42 ± 0.20) than for hGDH1 (1.94 ± 0.25; p = 0.0002) indicating that interaction of Mn with hGDH2 was substantially more co-operative than for hGDH1. These findings, showing an enhanced sensitivity of the hGDH2 isoenzyme to Mn, especially at low ADP levels, might be of pathophysiological relevance under conditions of Mn neurotoxicity. Copyright © 2015 Elsevier Ltd. All

  18. Differential regulation of TRPV1 channels by H2O2: implications for diabetic microvascular dysfunction

    Science.gov (United States)

    DelloStritto, Daniel J.; Connell, Patrick J.; Dick, Gregory M.; Fancher, Ibra S.; Klarich, Brittany; Fahmy, Joseph N.; Kang, Patrick T.; Chen, Yeong-Renn; Damron, Derek S.; Thodeti, Charles K.

    2016-01-01

    We demonstrated previously that TRPV1-dependent coupling of coronary blood flow (CBF) to metabolism is disrupted in diabetes. A critical amount of H2O2 contributes to CBF regulation; however, excessive H2O2 impairs responses. We sought to determine the extent to which differential regulation of TRPV1 by H2O2 modulates CBF and vascular reactivity in diabetes. We used contrast echocardiography to study TRPV1 knockout (V1KO), db/db diabetic, and wild type C57BKS/J (WT) mice. H2O2 dose-dependently increased CBF in WT mice, a response blocked by the TRPV1 antagonist SB366791. H2O2-induced vasodilation was significantly inhibited in db/db and V1KO mice. H2O2 caused robust SB366791-sensitive dilation in WT coronary microvessels; however, this response was attenuated in vessels from db/db and V1KO mice, suggesting H2O2-induced vasodilation occurs, in part, via TRPV1. Acute H2O2 exposure potentiated capsaicin-induced CBF responses and capsaicin-mediated vasodilation in WT mice, whereas prolonged luminal H2O2 exposure blunted capsaicin-induced vasodilation. Electrophysiology studies re-confirms acute H2O2 exposure activated TRPV1 in HEK293A and bovine aortic endothelial cells while establishing that H2O2 potentiate capsaicin-activated TRPV1 currents, whereas prolonged H2O2 exposure attenuated TRPV1 currents. Verification of H2O2-mediated activation of intrinsic TRPV1 specific currents were found in isolated mouse coronary endothelial cells from WT mice and decreased in endothelial cells from V1KO mice. These data suggest prolonged H2O2 exposure impairs TRPV1-dependent coronary vascular signaling. This may contribute to microvascular dysfunction and tissue perfusion deficits characteristic of diabetes. PMID:26907473

  19. Absolute measurements of fluxes from Cassiopeia A, Cygnus A, Taurus A, Virgo A at seven wavelengths in the 1.8-4.2 cm band

    International Nuclear Information System (INIS)

    Dmitrenko, L.V.; Snegireva, V.V.; Turchin, V.I.; Tsejtlin, N.M.; Voronkov, L.A.; Dmitrenko, D.A.; Kuznetsova, N.A.; Kholodilov, N.N.

    1981-01-01

    Results of absolute measurements of fluxes from Cassiopeia A, Cygnus A, Taurus A, Virgo A at 1.8-4.17 cm wavelengths are presented. Spectra are built in the wave range of 1.8-100 cm with the use of results obtained earlier. Variability has been detected in radiation of Taurus A as well as ''steps'' in the spectrum of Taurus A with the spectral index α=0 in the region of 2 cm and 3-4 cm [ru

  20. Synthesis and the crystal and molecular structures of 4-(piperidyl-1)-2-phenylpyrido[2,3-a]anthraquinone-7,12 Mono- and dibromohydrates (HL)Br . 3H2O and (H2L)Br2 . 3H2O

    International Nuclear Information System (INIS)

    Kovalchukova, O. V.; Stash, A. I.; Belsky, V. K.; Strashnova, S. B.; Zaitsev, B. E.; Ryabov, M. A.

    2009-01-01

    4-(Piperidyl-1)-2-phenylpyrido[2,3-a]anthraquinone-7,12 monobromohydrate (HL)Br . 3H 2 O (I) and 4-(piperidyl-1)-2-phenylpyrido[2,3-a]anthraquinone-7,12 dibromohydrate (H 2 L)Br 2 . 3H 2 O (II) are isolated in the crystalline state. The crystal structures of compounds I and II are determined using X-ray diffraction. It is established that the protonation of 4-(piperidyl-1)-2-phenylpyrido[2,3-a]anthraquinone-7,12 proceeds primarily through the pyridine atom at pH 2-3. The attachment of the second proton occurs through the piperidine nitrogen atom at pH1.

  1. CM-2 Environmental/Modal Testing of SPACEHAB Racks

    Science.gov (United States)

    McNelis, Mark E.; Goodnight, Thomas W.

    2001-01-01

    Combined environmental/modal vibration testing has been implemented at the NASA Glenn Research Center's Structural Dynamics Laboratory. The benefits of combined vibration testing are that it facilitates test article modal characterization and vibration qualification testing. The Combustion Module-2 (CM-2) is a space experiment that will launch on shuttle mission STS-107 in the SPACEHAB Research Double Module. The CM-2 flight hardware is integrated into a SPACEHAB single and double rack. CM-2 rack-level combined vibration testing was recently completed on a shaker table to characterize the structure's modal response and verify the random vibration response. Control accelerometers and limit force gauges, located between the fixture and rack interface, were used to verify the input excitation. Results of the testing were used to verify the loads and environments for flight on the shuttles.

  2. Sustaining 1,2-Dichloroethane Degradation in Nanoscale Zero-Valent Iron induced Fenton system by using Sequential H2O2 Addition at Natural pH

    Science.gov (United States)

    Phenrat, T.; Le, T. S. T.

    2017-12-01

    1,2-Dichloroethane (1,2-DCA) is a prevalent subsurface contaminant found in groundwater and soil around the world. Nanoscale zero-valent iron (NZVI) is a promising in situ remediation agent for chlorinated organics. Nevertheless, 1,2-DCA is recalcitrant to reductive dechlorination using NZVI. Chemical oxidation using Fenton's reaction with conventional Fe2+ is a valid option for 1,2-DCA remediation with a major technical challenge, i.e. aquifer acidification is needed to maintain Fe2+ for catalytic reaction. In this work, NZVI Fenton's process at neutral pH was applied to degrade 1,2-DCA at high concentration (2,000 mg/L) representing dissolved 1,2-DCA concentration close to non-aqueous phase liquid source zone. Instead of using acidification to maintain dissolved Fe2+ concentration, NZVI Fenton's process is self-catalytic based on oxidative dissolution of NZVI in the present of H2O2. Interfacial H+ is produced at NZVI surface to provide appropriate local pH which continuously releases Fe2+ for Fenton's reaction. Approximately, 87% of 1,2-DCA was degraded at neutral pH with the pseudo first-order rate constant of 0.98 hour-1 using 10 g/L of NZVI and 200 mM of H2O2. However, the reaction was prohibited quickly within 3 hours presumably due to the rapid depletion of H2O2. The application of sequential H2O2 addition provided a better approach to prevent rapid inhibition via controlling the H2O2 concentration in the system to be sufficient but not excess, thus resulting in the higher degradation efficiency (the pseudo first-order rate constant of 0.49 hour-1 and 99 % degradation in 8 hours). Using NZVI with sequential H2O2 addition was also successful in degrading 1,2-DCA sorbed on to soil, yielding 99% removal of 1,2-DCA within 16 hours at the rate constant of 0.23 hour-1, around two times slower than in the system without soil presumably due to rate-limited 1,2-DCA desorption from soil. Mechanistic understanding of how sequential addition of H2O2, in comparison to

  3. ATM and SIRT6/SNF2H Mediate Transient H2AX Stabilization When DSBs Form by Blocking HUWE1 to Allow Efficient γH2AX Foci Formation

    Directory of Open Access Journals (Sweden)

    Yuko Atsumi

    2015-12-01

    Full Text Available In response to DNA double-strand breaks (DSBs, H2AX is rapidly phosphorylated at Ser139 to promote DSB repair. Here we show that H2AX is rapidly stabilized in response to DSBs to efficiently generate γH2AX foci. This mechanism operated even in quiescent cells that barely expressed H2AX. H2AX stabilization resulted from the inhibition of proteasome-mediated degradation. Synthesized H2AX ordinarily underwent degradation through poly-ubiquitination mediated by the E3 ligase HUWE1; however, H2AX ubiquitination was transiently halted upon DSB formation. Such rapid H2AX stabilization by DSBs was associated with chromatin incorporation of H2AX and halting of its poly-ubiquitination mediated by the ATM kinase, the sirtuin protein SIRT6, and the chromatin remodeler SNF2H. H2AX Ser139, the ATM phosphorylation site, was essential for H2AX stabilization upon DSB formation. Our results reveal a pathway controlled by ATM, SIRT6, and SNF2H to block HUWE1, which stabilizes H2AX and induces its incorporation into chromatin only when cells are damaged.

  4. Synthesis, crystal structure and magnetic properties of [Cu(mal(abpt(H2O].3/2H2O and [Cu2(sq(abpt 2].2H2O (mal = malonate, sq = squarate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole

    Directory of Open Access Journals (Sweden)

    Eno A. Ededet

    2011-04-01

    Full Text Available Two new mixed-ligand complexes of formula [Cu(mal(abpt(H2O].3/2H2O (1 and [Cu2(sq(abpt2].2H2O (2 [mal = malonate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole and sq = squarate], have been prepared and characterized by X-ray crystal structure determination and magnetic studies. Complex 1 crystallizes in the monoclinic system, space group C2/c, with a = 14.0086(2 Å, b = 10.0980(2 Å, c = 25.630(4 Å; β = 97.5900(10 o, and Z = 8. Complex 2 crystallizes in the triclinic system, space group P-1 with a = 7.5696(15 Å, b = 8.4697(17 Å, c = 11.049(2 Å; β = 93.00(3o, α = 96.98(3, γ = 90.111(3 and Z = 1. Complex 1 consist of a neutral mononuclear [Cu(mal(abpt(H2O] unit and water molecule of crystallization in a distorted square pyramidal coordination sphere, while complex 2 is viewed as being made up of [Cu(sq(abpt2] units with the squarato ligand bridging the two copper(II cations. Variable temperature magnetic behaviour of the complexes reveals the existence of weak antiferromagnetic interaction for complex 1 and weak ferromagnetic intrachain interaction for complex 2.

  5. A Cadmium Anionic 1-D Coordination Polymer {[Cd(H2O6][Cd2(atr22-btc2(H2O4] 2H2O}n within a 3-D Supramolecular Charge-Assisted Hydrogen-Bonded and π-Stacking Network

    Directory of Open Access Journals (Sweden)

    Anas Tahli

    2016-03-01

    Full Text Available The hydrothermal reaction of 4,4′-bis(1,2,4-triazol-4-yl (btr and benzene-1,3,5-tricarboxylic acid (H3btc with Cd(OAc2·2H2O at 125 °C in situ forms 4-amino-1,2,4-triazole (atr from btr, which crystallizes to a mixed-ligand, poly-anionic chain of [Cd2(atr22-btc2(H2O4]2–. Together with a hexaaquacadmium(II cation and water molecules the anionic coordination-polymeric forms a 3-D supramolecular network of hexaaquacadmium(II-catena-[bis(4-amino-1,2,4-triazoletetraaquabis(benzene-1,3,5-tricarboxylatodicadmate(II] dihydrate, 1-D-{[Cd(H2O6][Cd2(atr22-btc2(H2O4] 2H2O}n which is based on hydrogen bonds (in part charge-assisted and π–π interactions.

  6. Molecular Structure, Spectroscopic and DFT Computational Studies of Arylidene-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H-trione

    Directory of Open Access Journals (Sweden)

    Assem Barakat

    2016-09-01

    Full Text Available Reaction of barbituric acid derivatives and di-substituted benzaldehyde in water afforded arylidene-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H-trione derivatives (1 and 2. The one step reaction proceeded efficiently, smoothly, and in excellent yield. The arylidene compounds were characterized by spectrophotometric tools plus X-ray single crystal diffraction technique. Quantum chemical calculations were performed using the DFT/B3LYP method to optimize the structure of the two isomers (1 and 2 in the gas phase. The optimized structures were found to agree well with the experimental X-ray structure data. The highest occupied (HOMO and lowest unoccupied (LUMO frontier molecular orbitals analyses were performed and the atomic charges were calculated using natural populationanalysis.

  7. 2-[3-(4-Methoxyphenyl-1-phenyl-1H-pyrazol-5-yl]phenol

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available The title compound, C22H18N2O2, was derived from 1-(2-hydroxyphenyl-3-(4-methoxyphenylpropane-1,3-dione. The central pyrazole ring forms dihedral angles of 16.83 (5, 48.97 (4 and 51.68 (4°, respectively, with the methoxyphenyl, phenyl and hydroxyphenyl rings. The crystal packing is stabilized by O—H...N hydrogen bonding.

  8. Effect of the tunnelling oxide growth by H{sub 2}O{sub 2} oxidation on the performance of a-Si:H MIS photodiodes

    Energy Technology Data Exchange (ETDEWEB)

    Aguas, H.; Perreira, L.; Silva, R.J.C.; Fortunato, E.; Martins, R

    2004-06-15

    In this work metal-insulator-semiconductor (MIS) photodiodes with a structure: Cr/a-Si:H(n{sup +})/a-Si:H(i)/oxide/Au were studied, where the main objective was to determine the influence of the oxide layer on the performance of the devices. The results achieved show that their performance is a function of both oxide thickness and oxide density. The a-Si:H oxidation method used was the immersion in H{sub 2}O{sub 2} solution. By knowledge of the oxide growth process it was possible to fabricate photodiodes exhibiting an open circuit voltage of 0.65 V and short circuit current density under AM1.5 illumination of 11 mA/cm{sup 2}, with a response times less than 1 {mu}s for load resistance <400 {omega}, and a signal to noise ratio of 1x10{sup 7}.

  9. S-Alkylated/aralkylated 2-(1H-indol-3-yl-methyl)-1,3,4- oxadiazole-5 ...

    African Journals Online (AJOL)

    ylmethyl)-1,3,4- oxadiazole-5-thiol derivatives. Methods: 2-(1H-indol-3-yl)acetic acid (1) was reacted with absolute ethanol and catalytic amount of sulfuric acid to form ethyl 2-(1H-indol-3-yl)acetate (2) which was transformed to 2-(1H-indol-3- ...

  10. Azirinium ylides from α-diazoketones and 2H-azirines on the route to 2H-1,4-oxazines: three-membered ring opening vs 1,5-cyclization

    Directory of Open Access Journals (Sweden)

    Nikolai V. Rostovskii

    2015-03-01

    Full Text Available Strained azirinium ylides derived from 2H-azirines and α-diazoketones under Rh(II-catalysis can undergo either irreversible ring opening across the N–C2 bond to 2-azabuta-1,3-dienes that further cyclize to 2H-1,4-oxazines or reversibly undergo a 1,5-cyclization to dihydroazireno[2,1-b]oxazoles. Dihydroazireno[2,1-b]oxazoles derived from 3-aryl-2H-azirines and 3-diazoacetylacetone or ethyl diazoacetoacetate are able to cycloadd to acetyl(methylketene generated from 3-diazoacetylacetone under Rh(II catalysis to give 4,6-dioxa-1-azabicyclo[3.2.1]oct-2-ene and/or 5,7-dioxa-1-azabicyclo[4.3.1]deca-3,8-diene-2-one derivatives. According to DFT calculations (B3LYP/6-31+G(d,p, the cycloaddition can involve two modes of nucleophilic attack of the dihydroazireno[2,1-b]oxazole intermediate on acetyl(methylketene followed by aziridine ring opening into atropoisomeric oxazolium betaines and cyclization. Azirinium ylides generated from 2,3-di- and 2,2,3-triaryl-substituted azirines give rise to only 2-azabuta-1,3-dienes and/or 2H-1,4-oxazines.

  11. MacroH2A1.1 regulates mitochondrial respiration by limiting nuclear NAD+ consumption.

    Science.gov (United States)

    Posavec Marjanović, Melanija; Hurtado-Bagès, Sarah; Lassi, Maximilian; Valero, Vanesa; Malinverni, Roberto; Delage, Hélène; Navarro, Miriam; Corujo, David; Guberovic, Iva; Douet, Julien; Gama-Perez, Pau; Garcia-Roves, Pablo M; Ahel, Ivan; Ladurner, Andreas G; Yanes, Oscar; Bouvet, Philippe; Suelves, Mònica; Teperino, Raffaele; Pospisilik, J Andrew; Buschbeck, Marcus

    2017-11-01

    Histone variants are structural components of eukaryotic chromatin that can replace replication-coupled histones in the nucleosome. The histone variant macroH2A1.1 contains a macrodomain capable of binding NAD + -derived metabolites. Here we report that macroH2A1.1 is rapidly induced during myogenic differentiation through a switch in alternative splicing, and that myotubes that lack macroH2A1.1 have a defect in mitochondrial respiratory capacity. We found that the metabolite-binding macrodomain was essential for sustained optimal mitochondrial function but dispensable for gene regulation. Through direct binding, macroH2A1.1 inhibits basal poly-ADP ribose polymerase 1 (PARP-1) activity and thus reduces nuclear NAD + consumption. The resultant accumulation of the NAD + precursor NMN allows for maintenance of mitochondrial NAD + pools that are critical for respiration. Our data indicate that macroH2A1.1-containing chromatin regulates mitochondrial respiration by limiting nuclear NAD + consumption and establishing a buffer of NAD + precursors in differentiated cells.

  12. TeV γ-ray observations of the young synchrotron-dominated SNRs G1.9+0.3 and G330.2+1.0 with H.E.S.S.

    Science.gov (United States)

    H.E.S.S. Collaboration; Abramowski, A.; Aharonian, F.; Benkhali, F. Ait; Akhperjanian, A. G.; Angüner, E.; Anton, G.; Balenderan, S.; Balzer, A.; Barnacka, A.; Becherini, Y.; Becker Tjus, J.; Bernlöhr, K.; Birsin, E.; Bissaldi, E.; Biteau, J.; Böttcher, M.; Boisson, C.; Bolmont, J.; Bordas, P.; Brucker, J.; Brun, F.; Brun, P.; Bulik, T.; Carrigan, S.; Casanova, S.; Cerruti, M.; Chadwick, P. M.; Chalme-Calvet, R.; Chaves, R. C. G.; Cheesebrough, A.; Chrétien, M.; Colafrancesco, S.; Cologna, G.; Conrad, J.; Couturier, C.; Cui, Y.; Dalton, M.; Daniel, M. K.; Davids, I. D.; Degrange, B.; Deil, C.; deWilt, P.; Dickinson, H. J.; Djannati-Ataï, A.; Domainko, W.; O'C. Drury, L.; Dubus, G.; Dutson, K.; Dyks, J.; Dyrda, M.; Edwards, T.; Egberts, K.; Eger, P.; Espigat, P.; Farnier, C.; Fegan, S.; Feinstein, F.; Fernandes, M. V.; Fernandez, D.; Fiasson, A.; Fontaine, G.; Förster, A.; Füßling, M.; Gajdus, M.; Gallant, Y. A.; Garrigoux, T.; Giavitto, G.; Giebels, B.; Glicenstein, J. F.; Grondin, M.-H.; Grudzińska, M.; Häffner, S.; Hahn, J.; Harris, J.; Heinzelmann, G.; Henri, G.; Hermann, G.; Hervet, O.; Hillert, A.; Hinton, J. A.; Hofmann, W.; Hofverberg, P.; Holler, M.; Horns, D.; Jacholkowska, A.; Jahn, C.; Jamrozy, M.; Janiak, M.; Jankowsky, F.; Jung, I.; Kastendieck, M. A.; Katarzyński, K.; Katz, U.; Kaufmann, S.; Khélifi, B.; Kieffer, M.; Klepser, S.; Klochkov, D.; Kluźniak, W.; Kneiske, T.; Kolitzus, D.; Komin, Nu.; Kosack, K.; Krakau, S.; Krayzel, F.; Krüger, P. P.; Laffon, H.; Lamanna, G.; Lefaucheur, J.; Lemière, A.; Lemoine-Goumard, M.; Lenain, J.-P.; Lennarz, D.; Lohse, T.; Lopatin, A.; Lu, C.-C.; Marandon, V.; Marcowith, A.; Marx, R.; Maurin, G.; Maxted, N.; Mayer, M.; McComb, T. J. L.; Méhault, J.; Meintjes, P. J.; Menzler, U.; Meyer, M.; Moderski, R.; Mohamed, M.; Moulin, E.; Murach, T.; Naumann, C. L.; de Naurois, M.; Niemiec, J.; Nolan, S. J.; Oakes, L.; Ohm, S.; Wilhelmi, E. de Oña; Opitz, B.; Ostrowski, M.; Oya, I.; Panter, M.; Parsons, R. D.; Arribas, M. Paz; Pekeur, N. W.; Pelletier, G.; Perez, J.; Petrucci, P.-O.; Peyaud, B.; Pita, S.; Poon, H.; Pühlhofer, G.; Punch, M.; Quirrenbach, A.; Raab, S.; Raue, M.; Reimer, A.; Reimer, O.; Renaud, M.; Reyes, R. de los; Rieger, F.; Rob, L.; Romoli, C.; Rosier-Lees, S.; Rowell, G.; Rudak, B.; Rulten, C. B.; Sahakian, V.; Sanchez, D. A.; Santangelo, A.; Schlickeiser, R.; Schüssler, F.; Schulz, A.; Schwanke, U.; Schwarzburg, S.; Schwemmer, S.; Sol, H.; Spengler, G.; Spies, F.; Stawarz, Ł.; Steenkamp, R.; Stegmann, C.; Stinzing, F.; Stycz, K.; Sushch, I.; Szostek, A.; Tavernet, J.-P.; Tavernier, T.; Taylor, A. M.; Terrier, R.; Tluczykont, M.; Trichard, C.; Valerius, K.; van Eldik, C.; van Soelen, B.; Vasileiadis, G.; Venter, C.; Viana, A.; Vincent, P.; Völk, H. J.; Volpe, F.; Vorster, M.; Vuillaume, T.; Wagner, S. J.; Wagner, P.; Ward, M.; Weidinger, M.; Weitzel, Q.; White, R.; Wierzcholska, A.; Willmann, P.; Wörnlein, A.; Wouters, D.; Zabalza, V.; Zacharias, M.; Zajczyk, A.; Zdziarski, A. A.; Zech, A.; Zechlin, H.-S.

    2014-06-01

    The non-thermal nature of the X-ray emission from the shell-type supernova remnants (SNRs) G1.9+0.3 and G330.2+1.0 is an indication of intense particle acceleration in the shock fronts of both objects. This suggests that the SNRs are prime candidates for very-high-energy (VHE; E > 0.1 TeV) γ-ray observations. G1.9+0.3, recently established as the youngest known SNR in the Galaxy, also offers a unique opportunity to study the earliest stages of SNR evolution in the VHE domain. The purpose of this work is to probe the level of VHE γ-ray emission from both SNRs and use this to constrain their physical properties. Observations were conducted with the H.E.S.S. (High Energy Stereoscopic System) Cherenkov Telescope Array over a more than six-year period spanning 2004-2010. The obtained data have effective livetimes of 67 h for G1.9+0.3 and 16 h for G330.2+1.0. The data are analysed in the context of the multiwavelength observations currently available and in the framework of both leptonic and hadronic particle acceleration scenarios. No significant γ-ray signal from G1.9+0.3 or G330.2+1.0 was detected. Upper limits (99 per cent confidence level) to the TeV flux from G1.9+0.3 and G330.2+1.0 for the assumed spectral index Γ = 2.5 were set at 5.6 × 10-13 cm-2 s-1 above 0.26 TeV and 3.2 × 10-12 cm-2 s-1 above 0.38 TeV, respectively. In a one-zone leptonic scenario, these upper limits imply lower limits on the interior magnetic field to BG1.9 ≳ 12 μG for G1.9+0.3 and to BG330 ≳ 8 μG for G330.2+1.0. In a hadronic scenario, the low ambient densities and the large distances to the SNRs result in very low predicted fluxes, for which the H.E.S.S. upper limits are not constraining.

  13. First measurement of H I 21 cm emission from a GRB host galaxy indicates a post-merger system

    Science.gov (United States)

    Arabsalmani, Maryam; Roychowdhury, Sambit; Zwaan, Martin A.; Kanekar, Nissim; Michałowski, Michał J.

    2015-11-01

    We report the detection and mapping of atomic hydrogen in H I 21 cm emission from ESO 184-G82, the host galaxy of the gamma-ray burst 980425. This is the first instance where H I in emission has been detected from a galaxy hosting a gamma-ray burst (GRB). ESO 184-G82 is an isolated galaxy and contains a Wolf-Rayet region close to the location of the GRB and the associated supernova, SN 1998bw. This is one of the most luminous H II regions identified in the local Universe, with a very high inferred density of star formation. The H I 21 cm observations reveal a high H I mass for the galaxy, twice as large as the stellar mass. The spatial and velocity distribution of the H I 21 cm emission reveals a disturbed rotating gas disc, which suggests that the galaxy has undergone a recent minor merger that disrupted its rotation. We find that the Wolf-Rayet region and the GRB are both located in the highest H I column density region of the galaxy. We speculate that the merger event has resulted in shock compression of the gas, triggering extreme star formation activity, and resulting in the formation of both the Wolf-Rayet region and the GRB. The high H I column density environment of the GRB is consistent with the high H I column densities seen in absorption in the host galaxies of high-redshift GRBs.

  14. Larvicidal and Biting Deterrent Activity of Essential Oils of Curcuma longa, Ar-turmerone, and Curcuminoids Against Aedes aegypti and Anopheles quadrimaculatus (Culicidae: Diptera).

    Science.gov (United States)

    Ali, Abbas; Wang, Yan-Hong; Khan, Ikhlas A

    2015-09-01

    Essential oils and extract of Curcuma longa, ar-turmerone, and curcuminoids were evaluated for their larvicidal and deterrent activity against mosquitoes. Ar-turmerone and curcuminoids constituted 36.9, 24.9 and 50.6% of rhizome oil, leaf oil, and rhizome extract, respectively. Ar-turmerone was the major compound of the rhizome oil (36.9%) and leaf oil (24.9%). The ethanolic extract had 15.4% ar-turmerone with 6.6% bisdesmethoxycurcumin, 6.1% desmethoxycurcumin, and 22.6% curcumin. In in vitro studies, essential oils of the leaf (biting deterrence index [BDI] = 0.98), rhizome (BDI = 0.98), and rhizome ethanolic extract (BDI = 0.96) at 10 µg/cm(2) showed biting deterrent activity similar to DEET at 25 nmol/cm(2) against Aedes aegypti L. Among the pure compounds, ar-turmerone (BDI = 1.15) showed the biting deterrent activity higher than DEET at 25 nmol/cm(2) whereas the activity of other compounds was lower than DEET. In Anopheles quadrimaculatus Say, only ar-turmerone showed deterrent activity similar to DEET. In dose-response bioassay, ar-turmerone showed significantly higher biting deterrence than DEET at all the dosages. Ar-turmerone, at 15 nmol/cm(2), showed activity similar to DEET at 25 nmol/cm(2) and activity at 5 nmol/cm(2) was similar to DEET at 20 and 15 nmol/cm(2). Leaf essential oil with LC(50) values of 1.8 and 8.9 ppm against larvae of An. quadrimaculatus and Ae. aegypti, respectively, showed highest toxicity followed by rhizome oil and ethanolic extract. Among the pure compounds, ar-turmerone with LC(50) values of 2.8 and 2.5 ppm against larvae of An. quadrimaculatus and Ae. aegypti, respectively, was most toxic followed by bisdesmethoxycurcumin, curcumin, and desmethoxycurcumin. © The Authors 2015. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  15. CmWRKY1 Enhances the Dehydration Tolerance of Chrysanthemum through the Regulation of ABA-Associated Genes.

    Directory of Open Access Journals (Sweden)

    Qingqing Fan

    Full Text Available WRKY transcription factors serve as antagonistic or synergistic regulators in a variety of abiotic stress responses in plants. Here, we show that CmWRKY1, a member of the group IIb WRKY family isolated from Chrysanthemum morifolium, exhibits no transcriptional activation in yeast cells. The subcellular localization examination showed that CmWRKY1 localizes to the nucleus in vivo. Furthermore, CmWRKY1-overexpressing transgenic lines exhibit enhanced dehydration tolerance in response to polyethylene glycol (PEG treatment compared with wild-type plants. We further confirmed that the transgenic plants exhibit suppressed expression levels of genes negatively regulated by ABA, such as PP2C, ABI1 and ABI2, and activated expression levels of genes positively regulated by ABA, such as PYL2, SnRK2.2, ABF4, MYB2, RAB18, and DREB1A. Taken together, our results indicate that CmWRKY1 plays an important role in the response to drought in chrysanthemum through an ABA-mediated pathway.

  16. Effects of the glucagon-like polypeptide-1 analogue (Val8)GLP-1 on learning, progenitor cell proliferation and neurogenesis in the C57B/16 mouse brain.

    Science.gov (United States)

    McGovern, Stephen F J; Hunter, Kerry; Hölscher, Christian

    2012-09-14

    Type 2 diabetes (T2DM) has been identified as a risk factor for Alzheimer's disease. Here, we tested the properties of the glucagon-like polypetide-1 (GLP-1) analogue (Val8)GLP-1, a drug originally developed as a treatment for T2DM at a range of doses (2.5 nmol; 25 nmol; 100 nmol; or 250 nmol/kg bw ip.) in an acute memory study in wild type C57B/l6 mice. We also tested (Val8)GLP-1 and the GLP-1 receptor antagonist exendin (9-39) in a chronic study (3 weeks at 25 nmol/kg bw ip. once-daily). We found that (Val8)GLP-1 crossed the blood brain barrier readily and that peripheral injection increased levels in the brain 30 min post-injection ip. but not 2h post-injection in rats. In the acute study, the low dose of 2.5 nmol/kg ip. enhanced motor activity in the open field task, while total distance travelled, exploratory behaviour and anxiety was not affected at any dose. Learning an object recognition task was not affected either. In the chronic study, no effect was observed in the open field assessment. The antagonist exendin (9-39) impaired object recognition learning and spatial learning in a water maze task, demonstrating the importance of GLP-1 signalling in memory formation. Locomotor activity was also affected in some cases. Blood sugar levels and insulin sensitivity was not affected in chronically treated mice. Neuronal stem cells and neurogenesis was enhanced by (Val8)GLP-1 in the dentate gyrus of wild type mice. The results demonstrate that (Val8)GLP-1 is safe in a range of doses, crosses the BBB and has potentially beneficial effects in the CNS by enhancing neurogenesis. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Comparison of experimental and theoretical integral cross sections for D+H2(v=1, j=1)→HD(v'=1, j')+H

    International Nuclear Information System (INIS)

    Kliner, D.A.V.; Adelman, D.E.; Zare, R.N.

    1991-01-01

    We have measured the nascent HD(v'=1, j') product rotational distribution from the reaction D+H 2 (v, j) in which the H 2 reagent was either thermal (v=0, j) or prepared in the level (v=1, j=1) by stimulated Raman pumping. Translationally hot D atoms were obtained by uv laser photolysis of DBr or DI. Photolysis of DBr generated D atoms with center-of-mass collision energies (E rel ) of 1.04 and 0.82 eV, which corresponded to the production of ground state Br and spin--orbit-excited Br*, respectively. The E rel values for DI photolysis were 1.38 and 0.92 eV. Quantum-state-specific detection of HD was accomplished via (2+1) resonance-enhanced multiphoton ionization and time-of-flight mass spectrometry. Vibrational excitation of the H 2 reagent results in substantial rotational excitation of the HD(v'=1) product and increases the reaction rate into v'=1 by about a factor of 4. Although the quantum-mechanical calculation of Blais et al. [Chem. Phys. Lett. 166, 11 (1990)] for the D+H 2 (v=1, j=1)→HD(v'=1, j')+H product rotational distribution at E rel =1.02 eV is in qualitative agreement with experiment, it does not quantitatively agree with the measured distribution. Specifically, the calculated distribution is too hot by 2--3 rotational quanta, and the predicted enhancement in the v'=1 rate with reagent vibrational excitation is too large by 67%±9

  18. Synthesis and evaluation of alpha-[[(2-haloethyl)amino]methyl]-2- nitro-1H-imidazole-1-ethanols as prodrugs of alpha-[(1-aziridinyl)methyl]-2- nitro-1H-imidazole-1-ethanol (RSU-1069) and its analogues which are radiosensitizers and bioreductively activated cytotoxins

    International Nuclear Information System (INIS)

    Jenkins, T.C.; Naylor, M.A.; O'Neill, P.; Threadgill, M.D.; Cole, S.; Stratford, I.J.; Adams, G.E.; Fielden, E.M.; Suto, M.J.; Stier, M.A.

    1990-01-01

    alpha-[(1-Aziridinyl)methyl]-2-nitro-1H-imidazole-1-ethanols, of general formula ImCH2CH(OH)CH2NCR1R2CR3R4, where Im = 2-nitroimidazole and R1, R2, R3, R4 = H, Me, are radiosensitizers and selective bioreductively activated cytotoxins toward hypoxic tumor cells in vitro and in vivo. Treatment of the aziridines with hydrogen halide in acetone or aqueous acetone gave the corresponding 2-haloethylamines of general formula ImCH2CH(OH)CH2(+)-NH2CR1R2CR3R4X X-, where R1, R2, R3, R4 = H, Me, and X = F, Cl, Br, I. These 2-haloethylamines were evaluated as prodrugs of the parent aziridines. The rates of ring closure in aqueous solution at pH approximately 6 were found to increase with increasing methyl substitution and to depend on the nature of the leaving group (I approximately Br greater than Cl much greater than F). A competing reaction of ImCH2CH(OH)CH2+NH2CH2CH2X X- (X = Cl, Br) with aqueous HCO3- ions gives 3-[2-hyroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]-2-oxazolidinone. The activities of these prodrugs as radiosensitizers or as bioreductively activated cytotoxins were consistent with the proportion converted to the parent aziridine during the course of the experiment. alpha-[[(2-Bromoethyl)amino]methyl]-2-nitro-1H-imidazole-1- ethanol (RB 6145, 10), the prodrug of alpha-[(1-aziridinyl)methyl]-2-nitro-1H-imidazole-1-ethanol (RSU-1069, 3), is identified as the most useful compound in terms of biological activity and rate of ring closure under physiological conditions

  19. Rational choice of a minimally invasive method of treatment in uncomplicated nephrolithiasis with kidney calculi from 1.0 to 2.5 cm

    Directory of Open Access Journals (Sweden)

    А. І. Sagalevich

    2018-02-01

    Full Text Available Study purpose – to improve the solitary nephrolithiasis treatment effectiveness by determining the optimal conditions for ESWL or mini PNL application in the treatment of kidney calculi 1.0 to2.5 cm in size. Patients and methods. A comparative analysis of the results of minimally invasive methods application for nephrolithiasis treatment was performed in 210 patients treated with mini PNL (the group I and 190 patients treated with ESWL (the group II. Patients with calculi more than 1.5 cm predominated in the group of mini PNL and with calculi less than 1.5 cm – in the ESWL group. The number of patients with calculi 1.5–2.0 cm in both groups was the same: 24.3 % and 24.2 % (P > 0.05. Results. It was noted that the calculi destruction effectiveness after 1–4 or more sessions of ESWL took place in 182 patients (95.8 %. At the same time, an increase in the mean density of calculi above 600 HU caused reduction (P < 0.001 of the primary ESWL session efficiency almost twofold. When performing the 221 mPNL, 97.1 % of the patients required one surgical treatment. The number of complications (bleeding, attack of pyelonephritis in the group II was insignificantly higher in contrast to the group I – 26 (12.3 % and 45 (14.1 %, respectively (P < 0.05. The stone-free status (up to one month was noted in 62.6 % of patients after the completion of ESWL sessions that increases the risk of nephrolithiasis recurrence from 37.4 %. In treatment with mPNL, the stone-free status reached 97.1 % (P < 0.001, and in repeated mPNL applying in 2.8 % of cases – 100 %. The mean clinic postoperative treatment periods in the group I were lower in contrast to patients of the group II – 3.0 ± 1.5 and 12.5 ± 3.6, respectively (P < 0.001. Conclusions. This comparative analysis of features and results of uncomplicated nephrolithiasis with mPNL and ESWL treatment indicates that mPNL is the most preferred method for kidney calculi 1.0 to2.5 cm and more in size treatment.

  20. An amperometric H2O2 biosensor based on hemoglobin nanoparticles immobilized on to a gold electrode.

    Science.gov (United States)

    Narwal, Vinay; Yadav, Neelam; Thakur, Manisha; Pundir, Chandra S

    2017-08-31

    The nanoparticles (NPs) of hemoglobin (Hb) were prepared by desolvation method and characterized by transmission electron microscopy (TEM), UV spectroscopy and Fourier-transform IR (FTIR) spectroscopy. An amperometric H 2 O 2 biosensor was constructed by immobilizing HbNPs covalently on to a polycrystalline Au electrode (AuE). HbNPs/AuE were characterized by scanning electron microscopy (SEM), cyclic voltammetry (CV) and electrochemical impedance spectra (EIS) before and after immobilization of HbNPs. The HbNPs/AuE showed optimum response within 2.5 s at pH 6.5 in 0.1 M sodium phosphate buffer (PB) containing 100 μM H 2 O 2 at 30°C, when operated at -0.2 V against Ag/AgCl. The HbNPs/AuE exhibited V max of 5.161 ± 0.1 μA cm -2 with apparent Michaelis-Menten constant ( K m ) of 0.1 ± 0.01 mM. The biosensor showed lower detection limit (1.0 μM), high sensitivity (129 ± 0.25 μA cm -2 mM -1 ) and wider linear range (1.0-1200 μM) for H 2 O 2 as compared with earlier biosensors. The analytical recoveries of added H 2 O 2 in serum (0.5 and 1.0 μM) were 97.77 and 98.01% respectively, within and between batch coefficients of variation (CV) were 3.16 and 3.36% respectively. There was a good correlation between sera H 2 O 2 values obtained by standard enzymic colorimetric method and the present biosensor (correlation coefficient, R 2 =0.99). The biosensor measured H 2 O 2 level in sera of apparently healthy subjects and persons suffering from diabetes type II. The HbNPs/AuE lost 10% of its initial activity after 90 days of regular use, when stored dry at 4°C. © 2017 The Author(s).

  1. Final Hazard Categorization for the Remediation of the 118-D-1, 118-D-2, 118-D-3, 118-H-1, 118-H-2 and 118-H-3 Solid Waste Burial Grounds

    Energy Technology Data Exchange (ETDEWEB)

    K. L. Vialetti

    2008-05-20

    This report presents the final hazard categorization for the remediation of the 118-D-1, 118-D-2, and 118-D-3 Burial Grounds located within the 100-D/DR Area of the Hanford Site and the 118-H-1, 118-H-2, and 118-H-3 Burial Grounds located within the 100-H Area of the Hanford Site.

  2. Estimation of human percutaneous bioavailability for two novel brominated flame retardants, 2-ethylhexyl 2,3,4,5-tetrabromobenzoate (EH-TBB) and bis(2-ethylhexyl) tetrabromophthalate (BEH-TEBP)

    Energy Technology Data Exchange (ETDEWEB)

    Knudsen, Gabriel A., E-mail: gabriel.knudsen@nih.gov [NCI Laboratory of Toxicology and Toxicokinetics, 111 T W Alexander Dr., Research Triangle Park, NC (United States); Hughes, Michael F. [Integrated Systems Toxicology Division, National Health and Environmental Effects Research Laboratory, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711 (United States); Sanders, J. Michael; Hall, Samantha M.; Birnbaum, Linda S. [NCI Laboratory of Toxicology and Toxicokinetics, 111 T W Alexander Dr., Research Triangle Park, NC (United States)

    2016-11-15

    2-Ethylhexyl-2,3,4,5-tetrabromobenzoate (EH-TBB) and bis(2-ethylhexyl)tetrabromophthalate (BEH-TEBP) are novel brominated flame retardants used in consumer products. A parallelogram approach was used to predict human dermal absorption and flux for EH-TBB and BEH-TEBP. [{sup 14}C]-EH-TBB or [{sup 14}C]-BEH-TEBP was applied to human or rat skin at 100 nmol/cm{sup 2} using a flow-through system. Intact rats received analogous dermal doses. Treated skin was washed and tape-stripped to remove “unabsorbed” [{sup 14}C]-radioactivity after continuous exposure (24 h). “Absorbed” was quantified using dermally retained [{sup 14}C]-radioactivity; “penetrated” was calculated based on [{sup 14}C]-radioactivity in media (in vitro) or excreta + tissues (in vivo). Human skin absorbed EH-TBB (24 ± 1%) while 0.2 ± 0.1% penetrated skin. Rat skin absorbed more (51 ± 10%) and was more permeable (2 ± 0.5%) to EH-TBB in vitro; maximal EH-TBB flux was 11 ± 7 and 102 ± 24 pmol-eq/cm{sup 2}/h for human and rat skin, respectively. In vivo, 27 ± 5% was absorbed and 13% reached systemic circulation after 24 h (maximum flux was 464 ± 65 pmol-eq/cm{sup 2}/h). BEH-TEBP in vitro penetrance was minimal (< 0.01%) for rat or human skin. BEH-TEBP absorption was 12 ± 11% for human skin and 41 ± 3% for rat skin. In vivo, total absorption was 27 ± 9%; 1.2% reached systemic circulation. In vitro maximal BEH-TEBP flux was 0.3 ± 0.2 and 1 ± 0.3 pmol-eq/cm{sup 2}/h for human and rat skin; in vivo maximum flux for rat skin was 16 ± 7 pmol-eq/cm{sup 2}/h. EH-TBB was metabolized in rat and human skin to tetrabromobenzoic acid. BEH-TEBP-derived [{sup 14}C]-radioactivity in the perfusion media could not be characterized. < 1% of the dose of EH-TBB and BEH-TEHP is estimated to reach the systemic circulation following human dermal exposure under the conditions tested. Chemical compounds studied in this article: 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate (PubChem CID: 71316600; CAS No. 183658

  3. The investigation of adsorption and dissociation of H2O on Li2O (111) by ab initio theory

    Science.gov (United States)

    Kong, Xianggang; Yu, You; Ma, Shenggui; Gao, Tao; Lu, Tiecheng; Xiao, Chengjian; Chen, Xiaojun; Zhang, Chuanyu

    2017-06-01

    The adsorption and dissociation mechanism of H2O molecule on the Li2O (111) surface have been systematically studied by using the density functional theory calculations. The parallel and vertical configurations of H2O at six different symmetry adsorption sites on the Li2O (111) surface are considered. In our calculations, it is suggested that H2O can dissociate on the perfect Li2O surface, of which the corresponding adsorption energy is 1.118 eV. And the adsorption energy decrease to be 0.241 eV when oxygen atom of H2O bonds to lithium atom of the slab. The final configurations are sensitive to the initial molecular orientation. By Bader charge analysis, the charge transfer from slab to adsorbed H2O/OH can be found due to the downward shift of lowest-unoccupied molecular orbital. We also analyze the vibrational frequencies at the Brillouin Zone centre for H2O molecule adsorbed on the stoichiometric surface. Due to the slightly different structure parameters, the calculated values of the vibrational frequencies of hydroxyl group range from 3824 to 3767 cm-1. Our results agree well with experimental results performed in FT-IR spectrum, which showed that an absorption peak of OH group appeared at 3677 cm-1 at room temperature.

  4. Effects of variation in background mixing ratios of N2, O2, and Ar on the measurement of δ18O-H2O and δ2H-H2O values by cavity ring-down spectroscopy

    Science.gov (United States)

    Johnson, Jennifer E.; Rella, Chris W.

    2017-08-01

    Cavity ring-down spectrometers have generally been designed to operate under conditions in which the background gas has a constant composition. However, there are a number of observational and experimental situations of interest in which the background gas has a variable composition. In this study, we examine the effect of background gas composition on a cavity ring-down spectrometer that measures δ18O-H2O and δ2H-H2O values based on the amplitude of water isotopologue absorption features around 7184 cm-1 (L2120-i, Picarro, Inc.). For background mixtures balanced with N2, the apparent δ18O values deviate from true values by -0.50 ± 0.001 ‰ O2 %-1 and -0.57 ± 0.001 ‰ Ar %-1, and apparent δ2H values deviate from true values by 0.26 ± 0.004 ‰ O2 %-1 and 0.42 ± 0.004 ‰ Ar %-1. The artifacts are the result of broadening, narrowing, and shifting of both the target absorption lines and strong neighboring lines. While the background-induced isotopic artifacts can largely be corrected with simple empirical or semi-mechanistic models, neither type of model is capable of completely correcting the isotopic artifacts to within the inherent instrument precision. The development of strategies for dynamically detecting and accommodating background variation in N2, O2, and/or Ar would facilitate the application of cavity ring-down spectrometers to a new class of observations and experiments.

  5. 6-Bromo-1,3-di-2-propynyl-1H-imidazo[4,5-b]pyridin-2(3H-one

    Directory of Open Access Journals (Sweden)

    S. Dahmani

    2010-04-01

    Full Text Available The room-temperature reaction of propargyl bromide and 6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one in dimethylformamide yields the title compound, C12H8BrN3O, which features nitrogen-bound propynyl substituents. The imidazopyridine fused ring is almost planar (r.m.s. deviation = 0.011 Å; the propynyl chains point in opposite directions relative to the fused ring. One acetylenic H atom is hydrogen bonded to the carbonyl O atom of an inversion-related molecule, forming a dimer; adjacent dimers are linked by a second acetylene–pyridine C—H...N interaction, forming a layer motif.

  6. Bis(2-methyl-1H-imidazol-3-ium naphthalene-1,5-disulfonate dihydrate

    Directory of Open Access Journals (Sweden)

    Yu-feng Wang

    2012-06-01

    Full Text Available The asymmetric unit of the title organic salt, 2C4H7N2+·C10H6O6S22−·2H2O, consists of a 2-methylimidazolium cation, a half of a naphthalene-1,5-disulfonate anion, which lies about a center of symmetry, and a water molecule. In the crystal, N—H...O and O—H...O hydrogen bonds link the cations, anions and water molecules into the layers parallel to (111.

  7. H1 in RSA galaxies

    Science.gov (United States)

    Richter, OTTO-G.

    1993-01-01

    The original Revised Shapley-Ames (RSA) galaxy sample of almost 1300 galaxies has been augmented with further bright galaxies from the RSA appendix as well as newer galaxy catalogs. A complete and homogeneous, strictly magnitude-limited all-sky sample of 2345 galaxies brighter than 13.4 in apparent blue magnitude was formed. New 21 cm H1 line observations for more than 600 RSA galaxies have been combined with all previously available H1 data from the literature. This new extentise data act allows detailed tests of widely accepted 'standard' reduction and analysis techniques.

  8. The synthesis of 7-chloro-5-pentadeuteriophenyl-1-methyl-1H-1, 5-benzodiazepine-2,4(3H, 5H)dione ([2H5]clobazam)

    International Nuclear Information System (INIS)

    Borel, A.G.; Abbott, F.S.

    1990-01-01

    Pentadeuteriophenyl clobazam was synthesized in essentially quantitative isotopic purity, and characterized by 1 H-NMR and mass spectroscopy. The title compound was found to be >98% pure by HPLC, and its retention time (t R 6.17 min) was less than that of an authentic clobazam standard (t R 6.32 min). Of the five steps in the synthesis of clobazam, the most susceptible to deuterium exchange was the nucleophilic substitution of 2,4-dichloronitrobenzene by aniline-d 7 to form N-(5-chloro-2-nitrophenyl)penta-deuteriophenylamine. In this step, the isotopic impurity aniline-2,3,4,5-d 5 introduced protons from nitrogen into the ortho and para positions of the deuteriophenyl ring of N-(5-chloro-2-nitrophenyl)pentadeuteriophenylamine. (author)

  9. Core Histones H2B and H4 Are Mobilized during Infection with Herpes Simplex Virus 1

    Science.gov (United States)

    Conn, Kristen L.; Hendzel, Michael J.; Schang, Luis M.

    2011-01-01

    The infecting genomes of herpes simplex virus 1 (HSV-1) are assembled into unstable nucleosomes soon after nuclear entry. The source of the histones that bind to these genomes has yet to be addressed. However, infection inhibits histone synthesis. The histones that bind to HSV-1 genomes are therefore most likely those previously bound in cellular chromatin. In order for preexisting cellular histones to associate with HSV-1 genomes, however, they must first disassociate from cellular chromatin. Consistently, we have shown that linker histones are mobilized during HSV-1 infection. Chromatinization of HSV-1 genomes would also require the association of core histones. We therefore evaluated the mobility of the core histones H2B and H4 as measures of the mobilization of H2A-H2B dimers and the more stable H3-H4 core tetramer. H2B and H4 were mobilized during infection. Their mobilization increased the levels of H2B and H4 in the free pools and decreased the rate of H2B fast chromatin exchange. The histones in the free pools would then be available to bind to HSV-1 genomes. The mobilization of H2B occurred independently from HSV-1 protein expression or DNA replication although expression of HSV-1 immediate-early (IE) or early (E) proteins enhanced it. The mobilization of core histones H2B and H4 supports a model in which the histones that associate with HSV-1 genomes are those that were previously bound in cellular chromatin. Moreover, this mobilization is consistent with the assembly of H2A-H2B and H3-H4 dimers into unstable nucleosomes with HSV-1 genomes. PMID:21994445

  10. Atmospheric chemistry of CF3O radicals: Reaction with H2O

    DEFF Research Database (Denmark)

    Wallington, T.J.; Hurley, M.D.; Schneider, W.F.

    1993-01-01

    Evidence is presented that CF3O radicals react with H2O in the gas phase at 296 K to give CF3OH and OH radicals. This reaction is calculated to be exothermic by 1.7 kcal mol-I implying a surprisingly strong CF3O-H bond energy of 120 +/- 3 kcal mol-1. Results from a relative rate experimental study...... suggest that the rate constant for the reaction of CF3O radicals with H2O lies in the range (0.2-4.0) X 10(-17) cm3 molecule-1 s-1. Implications for the atmospheric chemistry of CF3O radicals are discussed....

  11. Reassortant H1N1 influenza virus vaccines protect pigs against pandemic H1N1 influenza virus and H1N2 swine influenza virus challenge.

    Science.gov (United States)

    Yang, Huanliang; Chen, Yan; Shi, Jianzhong; Guo, Jing; Xin, Xiaoguang; Zhang, Jian; Wang, Dayan; Shu, Yuelong; Qiao, Chuanling; Chen, Hualan

    2011-09-28

    Influenza A (H1N1) virus has caused human influenza outbreaks in a worldwide pandemic since April 2009. Pigs have been found to be susceptible to this influenza virus under experimental and natural conditions, raising concern about their potential role in the pandemic spread of the virus. In this study, we generated a high-growth reassortant virus (SC/PR8) that contains the hemagglutinin (HA) and neuraminidase (NA) genes from a novel H1N1 isolate, A/Sichuan/1/2009 (SC/09), and six internal genes from A/Puerto Rico/8/34 (PR8) virus, by genetic reassortment. The immunogenicity and protective efficacy of this reassortant virus were evaluated at different doses in a challenge model using a homologous SC/09 or heterologous A/Swine/Guangdong/1/06(H1N2) virus (GD/06). Two doses of SC/PR8 virus vaccine elicited high-titer serum hemagglutination inhibiting (HI) antibodies specific for the 2009 H1N1 virus and conferred complete protection against challenge with either SC/09 or GD/06 virus, with reduced lung lesions and viral shedding in vaccine-inoculated animals compared with non-vaccinated control animals. These results indicated for the first time that a high-growth SC/PR8 reassortant H1N1 virus exhibits properties that are desirable to be a promising vaccine candidate for use in swine in the event of a pandemic H1N1 influenza. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. 3-Ethyl-4-[(E-(4-fluorobenzylideneamino]-1H-1,2,4-triazole-5(4H-thione

    Directory of Open Access Journals (Sweden)

    Alphonsus D'souza

    2012-05-01

    Full Text Available In the title compound, C11H11FN4S, the dihedral angle between the 1,2,4-triazole ring and the benzene ring is 25.04 (12° and an intramoleuclar C—H...S interaction leads to an S(6 ring. In the crystal, inversion dimers linked by pairs of N—H...S hydrogen bonds generate R22(8 loops.

  13. Challenge of N95 and P100 Filtering Facepiece Respirators with Particles Containing Viable H1N1

    Science.gov (United States)

    2009-12-02

    test protocols have been previously described (2). Briefly, the LSAT is composed of 10-cm diameter stainless steel sanitary fittings and a 15-cm...coughing in Human Subjects. Journal of Aerosol Medicine 20:484-494. 15. WK19997: Standard test method for effectiveness of decontamination of air...facepiece respirator g gram(s) H1N1 a strain of influenza A identified by its hemagglutinin and neuraminindase Kr-85 a radioactive isotope of krypton

  14. Electrical properties of the regrown implantation-induced amorphous layer on (1 1-bar 0 0)- and (1 1 2-bar 0)-oriented 6H-SiC

    International Nuclear Information System (INIS)

    Nakamura, Tomonori; Tanabe, Hitoshi; Hitomi, Takeshi; Satoh, Masataka

    2003-01-01

    In the (1 1-bar 0 0) and (1 1 2-bar 0)-oriented 6H-SiC, the electrical properties and activation process of the implanted phosphorus in the layer regrown from the implantation-induced amorphous layer are investigated by means of Hall effect measurement and Rutherford backscattering spectrometry. The samples are implanted by 60 keV phosphorus ions at room temperature with doses of 3 x 10 15 and 1 x 10 15 cm -2 to form implantation-induced amorphous layer and the partially disordered implant-layer, respectively. The implanted phosphorus in the implantation-induced amorphous layer can be electrically activated by annealing at 1000 deg. C. The electrical activity for the case of the implantation-induced amorphous layer (ratio of sheet carrier concentration to ion dose) is 2-3 times larger than that for the case of the partially disordered implant-layer for the annealing temperature of 1500 deg. C

  15. Hybridized 1T/2H MoS2 Having Controlled 1T Concentrations and its use in Supercapacitors.

    Science.gov (United States)

    Thi Xuyen, Nguyen; Ting, Jyh-Ming

    2017-12-06

    Molybdenum disulfide (MoS 2 ) nanoflowers consisting of hybridized 1T/2H phases have been synthesized by using a microwave-assisted hydrothermal (MTH) method. The concentration of the 1T phase, ranging from 40 % to 73 %, is controlled by simply adjusting the ratio of the Mo and S precursors. By using the hybridized 1T/2H MoS 2 as an electrode material, it was demonstrated that the resulting supercapacitor performance is dominated by the 1T phase concentration. It was found that a supercapacitor with 73 % 1T phase exhibits excellent capacitance of 259 F g -1 and great cyclic stability after 1000 cycles. The formation mechanism of the MHT-synthesized hybridized 1T/2H MoS 2 is also reported. More importantly, the mechanism also explains the observed relationship between the 1T phase concentration and the ratio of the Mo and S precursors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Final Hazard Categorization for the Remediation of the 118-D-1, 118-D-2, 118-D-3, 118-H-1, 118-H-2, and 118-H-3 Solid Waste Burial Grounds

    International Nuclear Information System (INIS)

    Rodovsky, T.J.

    2006-01-01

    This report presents the final hazard categorization (FHC) for the remediation of the 118-D-1, 118-D-2, and 118-D-3 Burial Grounds located within the 100-D/DR Area of the Hanford Site and the 118-H-1, 118-H-2, and 118-H-3 Burial Grounds located within the 100-H Area of the Hanford Site

  17. Final Hazard Categorization for the Remediation of the 118-D-1, 118-D-2, 118-D-3, 118-H-1, 118-H-2, and 118-H-3 Solid Waste Burial Grounds

    Energy Technology Data Exchange (ETDEWEB)

    T. J. Rodovsky

    2006-12-06

    This report presents the final hazard categorization (FHC) for the remediation of the 118-D-1, 118-D-2, and 118-D-3 Burial Grounds located within the 100-D/DR Area of the Hanford Site and the 118-H-1, 118-H-2, and 118-H-3 Burial Grounds located within the 100-H Area of the Hanford Site.

  18. Final Hazard Categorization for the Remediation of the 118-D-1, 118-D-2, 118-D-3, 118-H-1, 118-H-2, and 118-H-3 Solid Waste Burial Grounds

    Energy Technology Data Exchange (ETDEWEB)

    T. J. Rodovsky

    2007-04-12

    This report presents the final hazard categorization (FHC) for the remediation of the 118-D-1, 118-D-2, and 118-D-3 Burial Grounds located within the 100-D/DR Area of the Hanford Site and the 118-H-1, 118-H-2, and 118-H-3 Burial Grounds located within the 100-H Area of the Hanford Site.

  19. Final Hazard Categorization for the Remediation of the 118-D-1, 118-D-2, 118-D-3, 118-H-1, 118-H-2, and 118-H-3 Solid Waste Burial Grounds

    International Nuclear Information System (INIS)

    TRodovsky, T.J.

    2007-01-01

    This report presents the final hazard categorization (FHC) for the remediation of the 118-D-1, 118-D-2, and 118-D-3 Burial Grounds located within the 100-D/DR Area of the Hanford Site and the 118-H-1, 118-H-2, and 118-H-3 Burial Grounds located within the 100-H Area of the Hanford Site

  20. Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N2H5[Ln2(C2O4)4(N2H5)]·4H2O, Ln = Ce, Nd.

    Science.gov (United States)

    De Almeida, Lucie; Grandjean, Stéphane; Rivenet, Murielle; Patisson, Fabrice; Abraham, Francis

    2014-03-28

    New hydrazinium lanthanide oxalates N2H5[Ln2(C2O4)4(N2H5)]·4H2O, Ln = Ce (Ce-HyOx) and Nd (Nd-HyOx), were synthesized by hydrothermal reaction at 150 °C between lanthanide nitrate, oxalic acid and hydrazine solutions. The structure of the Nd compound was determined from single-crystal X-ray diffraction data, space group P2₁/c with a = 16.315(4), b = 12.127(3), c = 11.430(2) Å, β = 116.638(4)°, V = 2021.4(7) Å(3), Z = 4, and R1 = 0.0313 for 4231 independent reflections. Two distinct neodymium polyhedra are formed, NdO9 and NdO8N, an oxygen of one monodentate oxalate in the former being replaced by a nitrogen atom of a coordinated hydrazinium ion in the latter. The infrared absorption band at 1005 cm(-1) confirms the coordination of N2H5(+) to the metal. These polyhedra are connected through μ2 and μ3 oxalate ions to form an anionic three-dimensional neodymium-oxalate arrangement. A non-coordinated charge-compensating hydrazinium ion occupies, with water molecules, the resulting tunnels. The N-N stretching frequencies of the infrared spectra demonstrate the existence of the two types of hydrazine ions. Thermal reactivity of these hydrazinium oxalates and of the mixed isotypic Ce/Nd (CeNd-HyOx) oxalate were studied by using thermogravimetric and differential thermal analyses coupled with gas analyzers, and high temperature X-ray diffraction. Under air, fine particles of CeO2 and Ce(0.5)Nd(0.5)O(1.75) are formed at low temperature from Ce-HyOx and CeNd-HyOx, respectively, thanks to a decomposition/oxidation process. Under argon flow, dioxymonocyanamides Ln2O2CN2 are formed.

  1. Drosophila TRPA1 isoforms detect UV light via photochemical production of H2O2

    Science.gov (United States)

    Guntur, Ananya R.; Gu, Pengyu; Takle, Kendra; Chen, Jingyi; Xiang, Yang; Yang, Chung-Hui

    2015-01-01

    The transient receptor potential A1 (TRPA1) channel is an evolutionarily conserved detector of temperature and irritant chemicals. Here, we show that two specific isoforms of TRPA1 in Drosophila are H2O2 sensitive and that they can detect strong UV light via sensing light-induced production of H2O2. We found that ectopic expression of these H2O2-sensitive Drosophila TRPA1 (dTRPA1) isoforms conferred UV sensitivity to light-insensitive HEK293 cells and Drosophila neurons, whereas expressing the H2O2-insensitive isoform did not. Curiously, when expressed in one specific group of motor neurons in adult flies, the H2O2-sensitive dTRPA1 isoforms were as competent as the blue light-gated channelrhodopsin-2 in triggering motor output in response to light. We found that the corpus cardiacum (CC) cells, a group of neuroendocrine cells that produce the adipokinetic hormone (AKH) in the larval ring gland endogenously express these H2O2-sensitive dTRPA1 isoforms and that they are UV sensitive. Sensitivity of CC cells required dTRPA1 and H2O2 production but not conventional phototransduction molecules. Our results suggest that specific isoforms of dTRPA1 can sense UV light via photochemical production of H2O2. We speculate that UV sensitivity conferred by these isoforms in CC cells may allow young larvae to activate stress response—a function of CC cells—when they encounter strong UV, an aversive stimulus for young larvae. PMID:26443856

  2. Adsorption and dissociation of H2O on Al(1 1 1) surface by density functional theory calculation

    International Nuclear Information System (INIS)

    Guo, F.Y.; Long, C.G.; Zhang, J.; Zhang, Z.; Liu, C.H.; Yu, K.

    2015-01-01

    Highlights: • O 2 on Al(1 1 1) surface can spontaneously dissociate, but H 2 O can not. • H 2 O, OH and H on top sites are favorable on Al(1 1 1) surface. • O on the hollow (fcc) site is preferred. • O which plays a key role in the dissociate reaction of H 2 O. - Abstract: Using the first-principles calculations method based on the density functional theory, we systematically study the adsorption behavior of a single molecular H 2 O on a clean and a pre-adsorbed O atom Al(1 1 1) surface, and also its corresponding dissociation reactions. The equilibrium configuration on top, bridge, and hollow (fcc and hcp) site were determined by relaxation of the system relaxation. The adsorptions of H 2 O, OH and H on top sites are favorable on the Al(1 1 1) surface, while that of O on the hollow (fcc) site is preferred. The results show that the hydrogen atom dissociating from H 2 O needs a 248.32 kJ/mol of energy on clean Al(1 1 1) surface, while the dissociating energy decreases to 128.53 kJ/mol with the aid of the O absorption. On the other hand, these phenomena indicate that the dehydrogenated reaction energy barrier of the pre-adsorbed O on metal surface is lower than that of on a clean one, because O can promote the dehydrogenation of H 2 O

  3. Ab initio anharmonic vibrational frequency predictions for linear proton-bound complexes OC-H(+)-CO and N(2)-H(+)-N(2).

    Science.gov (United States)

    Terrill, Kasia; Nesbitt, David J

    2010-08-01

    Ab initio anharmonic transition frequencies are calculated for strongly coupled (i) asymmetric and (ii) symmetric proton stretching modes in the X-H(+)-X linear ionic hydrogen bonded complexes for OCHCO(+) and N(2)HN(2)(+). The optimized potential surface is calculated in these two coordinates for each molecular ion at CCSD(T)/aug-cc-pVnZ (n = 2-4) levels and extrapolated to the complete-basis-set limit (CBS). Slices through both 2D surfaces reveal a relatively soft potential in the asymmetric proton stretching coordinate at near equilibrium geometries, which rapidly becomes a double minimum potential with increasing symmetric proton acceptor center of mass separation. Eigenvalues are obtained by solution of the 2D Schrödinger equation with potential/kinetic energy coupling explicity taken into account, converged in a distributed Gaussian basis set as a function of grid density. The asymmetric proton stretch fundamental frequency for N(2)HN(2)(+) is predicted at 848 cm(-1), with strong negative anharmonicity in the progression characteristic of a shallow "particle in a box" potential. The corresponding proton stretch fundamental for OCHCO(+) is anomalously low at 386 cm(-1), but with a strong alternation in the vibrational spacing due to the presence of a shallow D(infinityh) transition state barrier (Delta = 398 cm(-1)) between the two equivalent minimum geometries. Calculation of a 2D dipole moment surface and transition matrix elements reveals surprisingly strong combination and difference bands with appreciable intensity throughout the 300-1500 cm(-1) region. Corrected for zero point (DeltaZPE) and thermal vibrational excitation (DeltaE(vib)) at 300 K, the single and double dissociation energies in these complexes are in excellent agreement with thermochemical gas phase ion data.

  4. Fluorescence tuning of 2-(1H-Benzimidazol-2-yl)phenol-ESIPT process

    International Nuclear Information System (INIS)

    Prakash, S.M.; Jayamoorthy, K.; Srinivasan, N.; Dhanalekshmi, K.I.

    2016-01-01

    Catalytic synthesis of potential chemosensor 2-(1H-Benzimidazol-2-yl)phenol (HBYP) has been prepared by three components cyclization reaction. It can behaves as a selective fluorescent sensor for the detection of Fe 3+ metal ion. HBYP has been characterized by 1 H NMR, 13 C NMR, mass spectral studies and elemental analysis. Single crystal XRD analysis has been carried out to confirm the structure of HBYP and it shows the imidazole ring is essentially planar and monoclinic crystal. Addition and increasing concentration of Fe 3+ ions into HBYP results dramatic fluorescence quenching. Other cations, including Ca 2+ , Co 2+ , Ni 2+ , Cd 2+ , Pb 2+ , Zn 2+ and Mg 2+ had little influence in the fluorescence intensity. Surprisingly reversible fluorescence enhancement has been observed with the addition of H 3 PO 4 due to the deactivation of iron complex.

  5. Synthesis and biological evaluation of certain 2-H-Pyran-2-Ones and some derived 1-H-Pyridin-2-One analogs as antimicrobial agents

    International Nuclear Information System (INIS)

    Faidallah, Hassan M.; Al-Saadi, Mohammad S.; Rostom, Sherif A. F.

    2008-01-01

    Pyran-2-one and pyridine-2-one analogs are known to be biological versatile compounds possessing variety of pharmacological activities. Some 4-(4-nitrophenyl)-5, 6-diphenyl-pyran-2-ones and their 1H-pyridin-2-oneanalogs were synthesized and evaluated for their in vitro intermediates and target compounds were discussed. The results evaluated that some compounds exhibited promising antibacterial and antifungal activities. Compound 8; 1-hydroxy-4-(4-nitrophenyl)-5, 6-diphenyl-1H-pyridin-2-one; showed the most potent broad spectrum antimicrobial activity. 1-Methyl-4-(4-nitrophenyl)-5, 6-diphenyl-1H-pyridin-2-thione 12; was able to exert weak growth inhibitory effect against the Mycobacterium tuberculosis. (author)

  6. New Line Lists for planetological applications: HC3N and C4H2

    Science.gov (United States)

    Jolly, A.; Benilan, Y.; Fayt, A.

    2009-04-01

    The Composite Infrared Spectrometer (CIRS) on-board Cassini, after four years of operation in Saturnian orbit with over thirty close fly-bys of Titan, has obtained spectra in the far and mid-infrared with a spectral resolution of 0.5 cm-1. Mismatch between observed spectra and model spectra obtained from the available line lists has led us to study the bending bands of HC3N and C4H2, the longest carbon chains observed on Titan. Our experimental study for HC3N (Jolly et al. 2007, J.Mol.Spec) has shown that band intensities had to be revised and that including hot bands with lower level as high as 1300 cm-1 was necessary to model our experimental spectra at 0.5 cm-1 resolution. A new extended line list could be obtained by fitting high resolution data with the help of a global analysis. This line list was made available to the astronomers of the CIRS team and will be included in the next version of the GEISA data base. Thanks to the precision of the new spectroscopic data, 13C isotopologues of HC3N have been detected and quantified for the first time in the atmosphere of Titan (Jennings et al. 2008, ApJL). Search for the 15N isotopologues of HC3N will also be presented. The proportion of hot bands is even more important for C4H2 than for HC3N and a new extended line list was absolutely necessary to improve the CIRS spectral analysis. We will present a new line list and show comparison between synthetic spectra and experimental spectra of C4H2 obtained between 193 and 296 K at 0.1 and 0.5 cm-1 resolution. Comparison of model spectra to CIRS observations of C4H2 at 220 and 630 cm-1 will also be presented. Detections of hot bands and isotopes in cold environments such as Titan will be emphasized.

  7. Antibacterial properties of 3 H-spiro[1-benzofuran-2,1'-cyclohexane] derivatives from Heliotropium filifolium.

    Science.gov (United States)

    Urzúa, Alejandro; Echeverría, Javier; Rezende, Marcos C; Wilkens, Marcela

    2008-10-01

    A re-examination of cuticular components of Heliotropium filifolium allowed the isolation of four new compounds: 3'-hydroxy-2',2',6'-trimethyl-3H-spiro[1-benzo-furan-2,1'-cyclohexane]-5-carboxylic acid(2), methyl 3'-acetyloxy-2',2',6'-trimethyl-3H-spiro[1-benzofuran-2,1'-cyclohexane]-5-carboxylate (3), methyl 3'-isopentanoyloxy-2',2',6'-trimethyl-3H-spiro[1-benzofuran-2,1'-cyclohexane]-5-carboxylate (4) and methyl 3'-benzoyloxy-2',2',6'-trimethyl-3H-spiro[1-benzofuran-2,1'-cyclohexane]-5-carboxylate (5).Compounds 2-5 were identified by their spectroscopic analogies with filifolinol (1), and their structures confirmed by chemical correlation with 1. The antimicrobial properties of the compounds were tested against Gram positive and Gram negative bacteria. Some of them proved to be active against Gram positive, but inactive against Gram negative bacteria. In searching for structure-activity relationships from the obtained MIC values, lipophilicity was shown to be an important variable.

  8. Spectral Ly{alpha}, Ly{beta}, and H{alpha} line shapes for the H atom in the presence of a magnetic field in a plasma; Profils des raies spectrales Ly{alpha}, Ly{beta}, et H{alpha} de l'atome H en presence d'un champ magnetique dans un plasma

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, H; Herman, L [Laboratoire de Recherches Physiques, Faculte des sciences, 9 Quai Saint Bernard, 75 - Paris (France); Drawin, H W [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1967-02-15

    This report contains numerical data of the line shapes of Ly{alpha}, Ly{beta}, and H{alpha} for the following parameters: 1. 10{sup 2} {<=} H [gauss] {<=} 1.2. 10{sup 5} 1. 10{sup 15}{<=} N [cm{sup -3}] {<=} 1. 10{sup 18} cm{sup -3} 1. 10{sup 4} {<=} T [deg. K] {<=} 4. 10{sup 4} where H = magnetic field strength, K = density of plasma ions, T = electron temperature. (authors) [French] Dans ce rapport, on donne les valeurs numeriques des contours des raies spectrales Ly{alpha}, Ly{beta}, et H{alpha} pour les valeurs suivantes des parametres H, N et T 1. 10{sup 2} {<=} H [gauss] {<=} 1.2. 10{sup 5} 1. 10{sup 15}{<=} N [cm{sup -3}] {<=} 1. 10{sup 18} cm{sup -3} 1. 10{sup 4} {<=} T [deg. K] {<=} 4. 10{sup 4} ou H intensite du champ magnetique, N = densite des ions, T = temperature electronique. (auteurs)

  9. Spectroscopic investigations of hard x-ray emission from 120 ps laser-produced plasmas at intensities near 1017 W cm-2

    International Nuclear Information System (INIS)

    Dunn, J.; Young, B.K.F.; Osterheld, A.L.; Foord, M.E.; Walling, R.S.; Stewart, R.E.; Faenov, A.Y.

    1995-11-01

    Spectroscopic investigations of the x-ray emission of plasmas heated by 120 ps, frequency doubled pulses from the JANUS Nd: glass laser are presented. High Z K-shell spectra emitted from slab targets heated to near 10 17 W cm -2 intensity are investigated. High resolution (γ/Δγ>5000) x-ray spectra of multicharged ions of H-like Ti, Co, Ni, Cu, and also H-like Sc in the spectral range 1.5--3.0 angstrom are obtained in single laser shots using a spherically bent Mica crystal spectrograph with a 186 mm radius of curvature. The spectra- have one dimensional spatial resolution of about 25μm and indicate that the size of the emission zone of the resonance, transitions is 2 keV and density∼10 22 cm -3 . These experiments demonstrate that with modest laser energy, plasmas heated by high-intensity 120 ps lasers provide a very bright source of hard ∼8 keV x-ray emission

  10. Establishment of dosimetric references for high energy X-ray beams of very small field sizes (≤ 1 cm2) used in radiotherapy

    International Nuclear Information System (INIS)

    Dufreneix, Stephane

    2014-01-01

    The French primary standard dosimetry laboratory 'Laboratoire National Henri Becquerel' is in charge of the establishment of dosimetric standards for ionizing radiation beams. Absolute dose measurements are thus available for X-Ray beams used in radiotherapy for field sizes between 10 and 2 cm. Since the miniaturization of absolute dosimeters is not possible for smaller field sizes, a dose area product (DAP) has been suggested as a substitute to the absorbed dose at a point.In order to measure a DAP with dosimeters which sensitive surface is larger than the beam, a graphite calorimeter with a sensitive surface of 3 cm diameter was designed, built and tested. An ionization chamber with the same diameter was realized and tested to transfer the dosimetric references to the end users. Its calibration factor in terms of DAP was determined in circular beams of 2, 1 and 0.75 cm diameter with an uncertainty smaller than 0.7 %. The two-Dimension relative dose distribution was measured thanks to a diamond dosimeter, a PinPoint ionization chamber and gafchromic films, using a specific protocol. Both approaches, respectively based on a PDS and an absorbed dose to water at a point, were in good agreement in the 2 cm beam. Correction factors determined from Monte Carlo simulations and measured dose distributions were needed for this comparison. The calibration factor of the large ionization chamber in the 1 and 0.75 cm diameter beams were in good agreement within the uncertainties but a gap of -2.6 % was found with the one established in the 2 cm diameter beam. As a result, the DAP can be used if the sensitive surface is much larger than the beam section. (author) [fr

  11. Protection of guinea pigs by vaccination with a recombinant swinepox virus co-expressing HA1 genes of swine H1N1 and H3N2 influenza viruses.

    Science.gov (United States)

    Xu, Jiarong; Yang, Deji; Huang, Dongyan; Xu, Jiaping; Liu, Shichao; Lin, Huixing; Zhu, Haodan; Liu, Bao; Lu, Chengping

    2013-03-01

    Swine influenza (SI) is an acute respiratory infectious disease of swine caused by swine influenza virus (SIV). SIV is not only an important respiratory pathogen in pigs but also a potent threat to human health. Here, we report the construction of a recombinant swinepox virus (rSPV/H3-2A-H1) co-expressing hemagglutinin (HA1) of SIV subtypes H1N1 and H3N2. Immune responses and protection efficacy of the rSPV/H3-2A-H1 were evaluated in guinea pigs. Inoculation of rSPV/H3-2A-H1 yielded neutralizing antibodies against SIV H1N1 and H3N2. The IFN-γ and IL-4 concentrations in the supernatant of lymphocytes stimulated with purified SIV HA1 antigen were significantly higher (P guinea pigs against SIV H1N1 or H3N2 challenge was observed. No SIV shedding was detected from guinea pigs vaccinated with rSPV/H3-2A-H1 after challenge. Most importantly, the guinea pigs immunized with rSPV/H3-2A-H1 did not show gross and micrographic lung lesions. However, the control guinea pigs experienced distinct gross and micrographic lung lesions at 7 days post-challenge. Our data suggest that the recombinant swinepox virus encoding HA1 of SIV H1N1 and H3N2 might serve as a promising candidate vaccine for protection against SIV H1N1 and H3N2 infections.

  12. 6-Methoxy-1-(4-methoxyphenyl-1,2,3,4-tetrahydro-9H-β-carbolin-2-ium acetate

    Directory of Open Access Journals (Sweden)

    Mohd Mustaqim Rosli

    2012-05-01

    Full Text Available In the title compound, C19H21N2O2+·C2H3O2−, the 1H-indole ring system is essentially planar [maximum deviation = 0.0257 (14 Å] and forms a dihedral angle of 87.92 (7 Å with the benzene ring attached to the tetrahydropyridinium fragment. The tetrahydropyridinium ring adopts a half-chair conformation. In the crystal, cations and anions are linked by interionic N—H...O, C—H...O and C—H...N hydrogen bonds into chains along the a axis.

  13. Novel reassortant influenza A(H1N2) virus derived from A(H1N1)pdm09 virus isolated from swine, Japan, 2012.

    Science.gov (United States)

    Kobayashi, Miho; Takayama, Ikuyo; Kageyama, Tsutomu; Tsukagoshi, Hiroyuki; Saitoh, Mika; Ishioka, Taisei; Yokota, Yoko; Kimura, Hirokazu; Tashiro, Masato; Kozawa, Kunihisa

    2013-12-01

    We isolated a novel influenza virus A(H1N2) strain from a pig on January 13, 2012, in Gunma Prefecture, Japan. Phylogenetic analysis showed that the strain was a novel type of double-reassortant virus derived from the swine influenza virus strains H1N1pdm09 and H1N2, which were prevalent in Gunma at that time.

  14. H-mode-like discharge under the presence of 1/1 rational surface at ergodic layer in LHD

    International Nuclear Information System (INIS)

    Morita, Shigeru; Morisaki, Tomohiro; Tanaka, Kenji

    2004-01-01

    H-mode-like discharge was found in LHD with a full B t field of 2.5T at an outwardly shifted configuration of R ax = 4.00 m where the m/n = 1/1 rational surface is located at the ergodic layer. The H-mode-like discharge was triggered by changing the P NBI from 9MW to 5 MW in a density range of 4-8 x 10 13 cm -3 , followed by a clear density rise, ELM-like H α bursts, and a reduction of magnetic fluctuation. These H-mode-like features vanished with a small radial movement of the 1/1 surface. (author)

  15. Synthesis and crystal structures of new complexes of Np(V) glycolate with 2,2'-bipyridine, [NpO2(C10H8N2)(OOC2H2OH)].1.5H2O and [NpO2(C10H8N2)(OOC2H2OH)].2.5H2O

    International Nuclear Information System (INIS)

    Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A.

    2009-01-01

    Single crystals were prepared, and the structures of two complexes of Np(V) glycolate with 2,2'-bipyridine of the compositions [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)].1.5H 2 O (I) and [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)]2.5H 2 O (II) were studied. The structures of the compounds are based on neptunyl-glycolate chains in which the glycolate anion manifests its complexation ability in different manner. In structure I, the bidentate-bridging anion links the adjacent NpO 2 - cations through the oxygen atoms of the carboxylate group. The neptunyl-glycolate chains of I exhibits the mutual coordination of the NpO 2 - cations acting toward each other simultaneously as ligands and coordinating centers. In compound II, the glycolate anion is bidentately coordinated to one neptunium atom to form a planar five-membered metallocycle [NpOCCO]. The O atom external with respect to the metallocycle is in the coordination environment of the adjacent neptunyl. The nitrogen-containing molecular ligand Bipy is included into the coordination environment of Np. The coordination polyhedron of the Np atoms in both structures is a pentagonal bipyramid in which the average Np-N bond length is 2.666 Aa (I) and 2.596 Aa (II). (orig.)

  16. Quantum state-to-state dynamics for the quenching process of Br(2P1/2) + H2(v(i) = 0, 1, j(i) = 0).

    Science.gov (United States)

    Xie, Changjian; Jiang, Bin; Xie, Daiqian; Sun, Zhigang

    2012-03-21

    Quantum state-to-state dynamics for the quenching process Br((2)P(1/2)) + H(2)(v(i) = 0, 1, j(i) = 0) → Br((2)P(3/2)) + H(2)(v(f), j(f)) has been studied based on two-state model on the recent coupled potential energy surfaces. It was found that the quenching probabilities have some oscillatory structures due to the interference of reflected flux in the Br((2)P(1/2)) + H(2) and Br((2)P(3/2)) + H(2) channels by repulsive potential in the near-resonant electronic-to-vibrational energy transfer process. The final vibrational state resolved integral cross sections were found to be dominated by the quenching process Br((2)P(1/2)) + H(2)(v) → Br((2)P(3/2)) + H(2)(v+1) and the nonadiabatic reaction probabilities for Br((2)P(1/2)) + H(2)(v = 0, 1, j(i) = 0) are quite small, which are consistent with previous theoretical and experimental results. Our calculated total quenching rate constant for Br((2)P(1/2)) + H(2)(v(i) = 0, j(i) = 0) at room temperature is in good agreement with the available experimental data. © 2012 American Institute of Physics

  17. Protective Efficacy of Recombinant Turkey Herpes Virus (rHVT-H5) and Inactivated H5N1 Vaccines in Commercial Mulard Ducks against the Highly Pathogenic Avian Influenza (HPAI) H5N1 Clade 2.2.1 Virus.

    Science.gov (United States)

    Kilany, Walid H; Safwat, Marwa; Mohammed, Samy M; Salim, Abdullah; Fasina, Folorunso Oludayo; Fasanmi, Olubunmi G; Shalaby, Azhar G; Dauphin, Gwenaelle; Hassan, Mohammed K; Lubroth, Juan; Jobre, Yilma M

    2016-01-01

    In Egypt, ducks kept for commercial purposes constitute the second highest poultry population, at 150 million ducks/year. Hence, ducks play an important role in the introduction and transmission of avian influenza (AI) in the Egyptian poultry population. Attempts to control outbreaks include the use of vaccines, which have varying levels of efficacy and failure. To date, the effects of vaccine efficacy has rarely been determined in ducks. In this study, we evaluated the protective efficacy of a live recombinant vector vaccine based on a turkey Herpes Virus (HVT) expressing the H5 gene from a clade 2.2 H5N1 HPAIV strain (A/Swan/Hungary/499/2006) (rHVT-H5) and a bivalent inactivated H5N1 vaccine prepared from clade 2.2.1 and 2.2.1.1 H5N1 seeds in Mulard ducks. A 0.3ml/dose subcutaneous injection of rHVT-H5 vaccine was administered to one-day-old ducklings (D1) and another 0.5ml/dose subcutaneous injection of the inactivated MEFLUVAC was administered at 7 days (D7). Four separate challenge experiments were conducted at Days 21, 28, 35 and 42, in which all the vaccinated ducks were challenged with 106EID50/duck of H5N1 HPAI virus (A/chicken/Egypt/128s/2012(H5N1) (clade 2.2.1) via intranasal inoculation. Maternal-derived antibody regression and post-vaccination antibody immune responses were monitored weekly. Ducks vaccinated at 21, 28, 35 and 42 days with the rHVT-H5 and MEFLUVAC vaccines were protected against mortality (80%, 80%, 90% and 90%) and (50%, 70%, 80% and 90%) respectively, against challenges with the H5N1 HPAI virus. The amount of viral shedding and shedding rates were lower in the rHVT-H5 vaccine groups than in the MEFLUVAC groups only in the first two challenge experiments. However, the non-vaccinated groups shed significantly more of the virus than the vaccinated groups. Both rHVT-H5 and MEFLUVAC provide early protection, and rHVT-H5 vaccine in particular provides protection against HPAI challenge.

  18. 1-(4-Fluorophenyl-2-(1H-1,2,4-triazol-1-ylethanone hemihydrate

    Directory of Open Access Journals (Sweden)

    Dong-liang Liu

    2011-12-01

    Full Text Available In the title compound, C10H8FN3O·0.5H2O, the dihedral angle between the mean planes of the rings is 99.80 (4°. The water molecule lies on a twofold axis. Weak intermolecular O—H...N and C—H...O hydrogen bonds link one water molecule with four phenylethanone molecules, while intermolecular C—H...O hydrogen bonds involving the ketone group link phenylethanone molecules into layers parallel to (100.

  19. Differential down-regulation of aquaporin-2 in rat kidney zones by peripheral nociceptin/orphanin FQ receptor agonism and vasopressin type-2 receptor antagonism

    DEFF Research Database (Denmark)

    Hadrup, Niels; Petersen, Jørgen S; Windfeld, Søren

    2007-01-01

    ) of the vasopressin type-2 receptor antagonist 5-dimethylamine-1-[4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzapine (OPC31260) (32 nmol/kg/min). ZP120 decreased the aquaporin-2 protein level in the rat cortex/outer stripe of outer medulla and decreased apical plasma membrane localization of aquaporin-2......We previously showed that aquaresis induced by the peripherally acting nociceptin/orphanin FQ receptor agonist ZP120 is associated with a decreased protein level of aquaporin-2 (AQP2) in whole-kidney homogenates. We now examined the effects of Ac-RYYRWKKKKKKK-NH(2) (ZP120) (1 nmol/kg/min i.v. for 4...... h) on renal regional expression (cortex/outer stripe of outer medulla, inner stripe of outer medulla, and inner medulla) and subcellular localization of aquaporin-2. Responses to ZP120 were compared to the effects of an equi-aquaretic dose ( approximately 40% inhibition of distal water reabsorption...

  20. Hydrazinium(1+) hexafluorotitanate(IV), 2N2H5+.TiF62-

    International Nuclear Information System (INIS)

    Leban, I.

    1994-01-01

    The crystals exhibit racemic twinning. The structure consists of hydrazinium(1+), N 2 H 5 + , cations and usual octahedral hexafluorotitanate(IV) anions. They are linked together via hydrogen bonds of the types N-H..F and N-H..N. (orig.)

  1. 2-(1H-Benzimidazol-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-ol, a Benzimidazole Derivative, Inhibits T Cell Proliferation Involving H+/K+-ATPase Inhibition

    Directory of Open Access Journals (Sweden)

    Jin Liu

    2014-10-01

    Full Text Available In this study, a benzimidazole derivative named BMT-1 is revealed as a potential immunomodulatory agent. BMT-1 inhibits the activity of H+/K+-ATPases from anti-CD3/CD28 activated T cells. Furthermore, inhibition the H+/K+-ATPases by use of BMT-1 should lead to intracellular acidification, inhibiting T cell proliferation. To explore this possibility, the effect of BMT-1 on intracellular pH changes was examined by using BCECF as a pH-dependent fluorescent dye. Interestingly, increases in the pHi were observed in activated T cells, and T cells treated with BMT-1 showed a more acidic intracellular pH. Finally, BMT-1 targeted the H+/K+-ATPases and inhibited the proliferative response of anti-CD3/CD28-stimulated T cells. A cell cycle analysis indicated that BMT-1 arrested the cell cycle progression of activated T cells from the G1 to the S phase without affecting CD25 expression or interleukin-2 (IL-2 production; treating IL-2-dependent PBMCs with BMT-1 also led to the inhibition of cell proliferation. Taken together, these findings demonstrate that BMT-1 inhibits the proliferation of T cells by interfering with H+/K+-ATPases and down-regulating intracellular pHi. This molecule may be an interesting lead compound for the development of new immunomodulatory agents.

  2. Neptune's microwave spectrum from 1 mm to 20 cm

    International Nuclear Information System (INIS)

    De Pater, I.; Richmond, M.

    1989-01-01

    Total flux densities and disk-averaged brightness temperatures have been tabulated on the basis of VLA observations of Neptune at 1.3, 2, 6, and 20 cm wavelengths; a recalibration is also conducted of previous observations in order to accurately ascertain the spectral shape of this planet, which is found to have increasing brightness temperature with increasing wavelength, in contrast with that of Uranus. If all the detected emission is atmospheric thermal radiation, ammonia abundance must either be a factor of about 50 lower than the solar N value throughout the Neptune atmosphere, or the planet must emit about 0.3-0.5 mJy synchrotron radiation at 20 cm; the latter possibility is consistent with a planetary magnetic field strength of about 0.5 G at the surface. 39 refs

  3. Inelastic neutron scattering of H2 adsorbed in HKUST-1

    International Nuclear Information System (INIS)

    Liu, Y.; Brown, C.M.; Neumann, D.A.; Peterson, V.K.; Kepert, C.J.

    2007-01-01

    A series of inelastic neutron scattering (INS) investigations of hydrogen adsorbed in activated HKUST-1 (Cu 3 (1,3,5-benzenetricarboxylate) 2 ) result in INS spectra with rich features, even at very low loading ( 2 :Cu). The distinct inelastic features in the spectra show that there are three binding sites that are progressively populated when the H 2 loading is less than 2.0 H 2 :Cu, which is consistent with the result obtained from previous neutron powder diffraction experiments. The temperature dependence of the INS spectra reveals the relative binding enthalpies for H 2 at each site

  4. Microsolvation of the water cation in neon: Infrared spectra and potential energy surface of the H2O+-Ne open-shell ionic complex

    Science.gov (United States)

    Dopfer, Otto; Roth, Doris; Maier, John P.

    2001-04-01

    The intermolecular potential of the H2O+-Ne open-shell ionic dimer in its doublet electronic ground state has been investigated by infrared spectroscopy in the vicinity of the O-H stretch vibrations (ν1 and ν3) and ab initio calculations at the unrestricted Møller-Plesset second-order (MP2) level with a basis set of aug-cc-pVTZ quality. The rovibrational structure of the photodissociation spectrum is consistent with a proton-bound planar H-O-H-Ne structure and a Ne-H separation of R0=1.815(5) Å. The complexation-induced redshifts are Δν1=-69 cm-1 and Δν3=-6 cm-1, respectively. Tunneling splittings observed in the perpendicular component of the ν3 hybrid band of H2O+-Ne are attributed to hindered internal rotation between the two equivalent proton-bound equilibrium structures. The interpretation of the H2O+-Ne spectrum is supported by the spectrum of the monodeuterated species, for which both the proton-bound and the deuteron-bound isomers are observed (DOH+-Ne, HOD+-Ne). The equilibrium structure of the calculated potential energy surface of H2O+-Ne has a slightly translinear proton bond, which is characterized by a Ne-H separation of Re=1.77 Å, a bond angle of φe=174°, and dissociation energies of De=756 cm-1 and D0=476 cm-1. According to the calculated potential, the exchange tunneling between the two equivalent minima occurs via the planar bridged transition state with C2v symmetry and a barrier of 340 cm-1. In general, the calculated properties of H2O+-Ne show good agreement with the experimental data. Initial steps in the microsolvation of the water cation in neon are discussed by comparing the calculated and experimental properties of H2O+-Nen (n=0-2) with neon matrix isolation data (n→∞).

  5. Photochemically activated antiviral halogenated 1,8-naphthalimides: synthesis of N,N'-bis-{2-[(5-bromo-2-[1-14C]hexyl-1H-benz[de]isoquinolin-1,3(2H)-dion-6-yl)amino]ethyl}hexanediamide

    International Nuclear Information System (INIS)

    Hayes, B.A.; Gupta, Surendra; Shaochieh Chang; Utecht, R.E.; Lewis, D.E.

    1996-01-01

    The synthesis of N,N'-bis-{2-[(5-bromo-2-[1- 14 C]hexyl-1H-benz[de]isoquinolin-1, 3(2H)-dion-6-yl)amino]ethyl}hexanediamide from 1-[1- 14 C]-hexylamine and 4-chloro-1,8-naphthalic anhydride is described. The anhydride is first converted to the 4-chloro-n-[1- 14 C]hexyl-1,8-naphthalimide by condensation with 1-[1- 14 C]-hexylamine, and the chlorine is then displaced with ethylenediamine to give the 4-(2-aminoethylamino-N-[1- 14 C]hexyl-1,8-naphthalimide. Coupling of this monomeric naphthalimide with adipoyl chloride affords the dimeric naphthalimide which is brominated regiospecifically with elemental bromine in carbon tetrachloride to afford the title compound. (author)

  6. Dynamic interactions of the asialoglycoprotein receptor subunits with coated pits. Enhanced interactions of H2 following association with H1.

    Science.gov (United States)

    Katzir, Z; Nardi, N; Geffen, I; Fuhrer, C; Henis, Y I

    1994-08-26

    Lateral mobility studies comparing native and mutated membrane proteins, combined with treatments that alter clathrin lattice structure, can measure membrane protein-coated pit interactions in intact cells (Fire, E., Zwart, D., Roth, M. G., and Henis, Y. I. (1991) J. Cell Biol. 115, 1585-1594). We applied this approach to study the interactions of the H1 and H2 human asialoglycoprotein receptor subunits with coated pits. The lateral mobilities of singly expressed and coexpressed H1 and H2B (the H2 species that reaches the cell surface) were measured by fluorescence photobleaching recovery. They were compared with mutant proteins, H1(5A) (Tyr-5 replaced by Ala) and H2(5A) (Phe-5 replaced by Ala). While the mobile fractions of H1, H2B, and their mutants were similar, the lateral diffusion rate (measured by D, the lateral diffusion coefficient) was significantly slower for H1, whether expressed alone or with H2B. Coexpression with H1 reduced D of H2B to that of H1. Disruption of the clathrin lattices by hypertonic medium elevated D of H1, H1(5A), H2B, and H2(5A) to the same final level, without affecting their mobile fractions. Cytosol acidification, which retains altered clathrin lattices attached to the membrane and prevents coated vesicle formation, immobilized part of the H1 molecules, reflecting stable entrapment in "frozen" coated pits. H1(5A), H2B, and H2(5A) were not affected; however, coexpression of H2B with H1 conferred the sensitivity to cytosol acidification on H2B. Our results suggest that H1 lateral mobility is inhibited by dynamic interactions with coated pits in which Tyr-5 is involved. H2B resembles H1(5A) rather than H1, and its interactions with coated pits are weaker; efficient interaction of H2B with coated pits depends on complex formation with H1.

  7. A high-resolution atlas of the infrared spectrum of the sun and the earth atmosphere from space. A compilation of ATMOS spectra of the region from 650 to 4800 cm-1 (2.3 to 16 microns). Volume 2: Stratosphere and mesosphere, 650 to 3350 cm-1

    Science.gov (United States)

    Farmer, Crofton B.; Norton, Robert H.

    1989-01-01

    During the period April 29 to May 2, 1985, the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment was operated for the first time, as part of the Spacelab-3 payload of the shuttle Challenger. The principal purpose of this experiment was to study the distributions of the atmosphere's minor and trace molecular constituents. The instrument, a modified Michelson interferometer covering the frequency range from 600 to 5000/cm-1 at a spectral resolution of 0.01/cm-1, recorded infrared absorption spectra of the sun and of the earth's atmosphere at times close to entry into and exit from occultation by the earth's limb. Spectra were obtained that are free from absorptions due to constituents of the atmosphere (i.e., they are pure solar spectra), as well as spectra of the atmosphere itself, covering line-of-sight tangent altitudes that span the range from the lower thermosphere to the bottom of the troposphere. This atlas presents a compilation of these spectra arranged in a hardcopy format suitable for quick-look reference purposes. Volume 2 covers the stratosphere and mesosphere (i.e., tangent altitudes from 20 to 80 km) for frequencies from 650 to 3350/cm-1.

  8. 2,2-Dimethyl-2,3-dihydro-1H-perimidine

    Directory of Open Access Journals (Sweden)

    Sarah Maloney

    2013-02-01

    Full Text Available The title compound, C13H14N2, was obtained from reaction of diaminonaphthalene with acetone. In both independent molecules in the asymmetric unit, the tricyclic perimidine consists of a planar (r.m.s. deviations = 0.0125 and 0.0181 Å naphthalene ring system and an envelope conformation C4N2 ringwith the NCN group hinged with respect to the naphthalene backbone by 36.9 (2 and 41.3 (2° in the two independent molecules. The methyl substituents are arranged approximately axial and equatorial on the apical C atom. In the crystal, one of the N—H groups of one independent molecule is involved in classical N—H...N hydrogen bonding. Short intermolecular (C/N—H...π(arene interactions, near the short T-shaped limit, link molecules in the absence of strong acceptors.

  9. Benchmark calculations with correlated molecular wave functions. IX. The weakly bound complexes Ar - H2 and Ar - HCl

    International Nuclear Information System (INIS)

    Woon, D.E.; Peterson, K.A.; Dunning, T.H. Jr.

    1998-01-01

    The interaction of Ar with H 2 and HCl has been studied using Moeller - Plesset perturbation theory (MP2, MP3, MP4) and coupled-cluster [CCSD, CCSD(T)] methods with augmented correlation consistent basis sets. Basis sets as large as triply augmented quadruple zeta quality were used to investigate the convergence trends. Interaction energies were determined using the supermolecule approach with the counterpoise correction to account for basis set superposition error. Comparison with the available empirical potentials finds excellent agreement for both binding energies and transition state. For Ar - H 2 , the estimated complete basis set (CBS) limits for the binding energies of the two equivalent minima and the connecting transition state (TS) are, respectively, 55 and 47cm -1 at the MP4 level and 54 and 46cm -1 at the CCSD(T) level, respectively [the XC(fit) empirical potential of Bissonnette et al. [J. Chem. Phys. 105, 2639 (1996)] yields 56.6 and 47.8cm -1 for H 2 (v=0)]. The estimated CBS limits for the binding energies of the two minima and transition state of Ar - HCl are 185, 155, and 109cm -1 at the MP4 level and 176, 147, and 105cm -1 at the CCSD(T) level, respectively [the H6(4,3,0) empirical potential of Hutson [J. Phys. Chem. 96, 4237 (1992)] yields 176.0, 148.3, and 103.3cm -1 for HCl (v=0)]. Basis sets containing diffuse functions of (dfg) symmetries were found to be essential for accurately modeling these two complexes, which are largely bound by dispersion and induction forces. Highly correlated wave functions were also required for accurate results. This was found to be particularly true for ArHCl, where significant differences in calculated binding energies were observed between MP2, MP4, and CCSD(T). copyright 1998 American Institute of Physics

  10. Inelastic neutron scattering of H{sub 2} adsorbed in HKUST-1

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Y. [Department of Materials and Engineering, University of Maryland, College Park, MD 20742 (United States); NIST Center for Neutron Research, 100 Bureau Drive, Gaithersburg, MD 20899-8562 (United States); Brown, C.M. [NIST Center for Neutron Research, 100 Bureau Drive, Gaithersburg, MD 20899-8562 (United States); Indiana University Cyclotron Facility, Indiana University, 2401 Milo B. Sampson Lane, Bloomington, IN 47408 (United States)], E-mail: craig.brown@nist.gov; Neumann, D.A. [NIST Center for Neutron Research, 100 Bureau Drive, Gaithersburg, MD 20899-8562 (United States); Peterson, V.K.; Kepert, C.J. [School of Chemistry, University of Sydney, NSW 2006 (Australia)

    2007-10-31

    A series of inelastic neutron scattering (INS) investigations of hydrogen adsorbed in activated HKUST-1 (Cu{sub 3}(1,3,5-benzenetricarboxylate){sub 2}) result in INS spectra with rich features, even at very low loading (<1.0 H{sub 2}:Cu). The distinct inelastic features in the spectra show that there are three binding sites that are progressively populated when the H{sub 2} loading is less than 2.0 H{sub 2}:Cu, which is consistent with the result obtained from previous neutron powder diffraction experiments. The temperature dependence of the INS spectra reveals the relative binding enthalpies for H{sub 2} at each site.

  11. A nine-dimensional ab initio global potential energy surface for the H2O+ + H2H3O+ + H reaction

    Science.gov (United States)

    Li, Anyang; Guo, Hua

    2014-06-01

    An accurate full-dimensional global potential energy surface (PES) is developed for the title reaction. While the long-range interactions in the reactant asymptote are represented by an analytical expression, the interaction region of the PES is fit to more than 81 000 of ab initio points at the UCCSD(T)-F12b/AVTZ level using the permutation invariant polynomial neural network approach. Fully symmetric with respect to permutation of all four hydrogen atoms, the PES provides a faithful representation of the ab initio points, with a root mean square error of 1.8 meV or 15 cm-1. The reaction path for this exoergic reaction features an attractive and barrierless entrance channel, a submerged saddle point, a shallow H4O+ well, and a barrierless exit channel. The rate coefficients for the title reaction and kinetic isotope effect have been determined on this PES using quasi-classical trajectories, and they are in good agreement with available experimental data. It is further shown that the H2O+ rotational enhancement of reactivity observed experimentally can be traced to the submerged saddle point. Using our recently proposed Sudden Vector Projection model, we demonstrate that a rotational degree of freedom of the H2O+ reactant is strongly coupled with the reaction coordinate at this saddle point, thus unraveling the origin of the pronounced mode specificity in this reaction.

  12. A nine-dimensional ab initio global potential energy surface for the H2O+ + H2H3O+ + H reaction

    International Nuclear Information System (INIS)

    Li, Anyang; Guo, Hua

    2014-01-01

    An accurate full-dimensional global potential energy surface (PES) is developed for the title reaction. While the long-range interactions in the reactant asymptote are represented by an analytical expression, the interaction region of the PES is fit to more than 81 000 of ab initio points at the UCCSD(T)-F12b/AVTZ level using the permutation invariant polynomial neural network approach. Fully symmetric with respect to permutation of all four hydrogen atoms, the PES provides a faithful representation of the ab initio points, with a root mean square error of 1.8 meV or 15 cm1 . The reaction path for this exoergic reaction features an attractive and barrierless entrance channel, a submerged saddle point, a shallow H 4 O + well, and a barrierless exit channel. The rate coefficients for the title reaction and kinetic isotope effect have been determined on this PES using quasi-classical trajectories, and they are in good agreement with available experimental data. It is further shown that the H 2 O + rotational enhancement of reactivity observed experimentally can be traced to the submerged saddle point. Using our recently proposed Sudden Vector Projection model, we demonstrate that a rotational degree of freedom of the H 2 O + reactant is strongly coupled with the reaction coordinate at this saddle point, thus unraveling the origin of the pronounced mode specificity in this reaction

  13. Highly textured films of layered metal disulfide 2H-WS{sub 2}: Preparation and optoelectronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Matthaeus, A.; Ennaoui, A.; Fiechter, S. [Hahn-Meitner-Inst., Berlin (Germany)] [and others

    1997-03-01

    Highly textured films of 2H-WS{sub 2} can be obtained by sulfurization of up to 4 {micro}m thick WO{sub 3} layers in the presence of hydrogen using amorphous (quartz glass, glassy carbon) or crystalline (sapphire, Muscovite, highly oriented pyrolytic graphite) substrates. Best conditions have been found employing (00.1) oriented sapphire substrates with a 5 nm thick nickel layer interposed between substrate and oxide film (0.5 to 4 {micro}m thickness) and a reaction temperature ranging from 973 to 1,173 K. Depending on time the crystallites, oriented with their hexagonal basal planes parallel to the substrate, exhibited a lateral extension of up to 20 {micro}m and a thickness of {le}300 nm. Conductivity measurements of the films showed a p-type conductivity in the range from 0.1 to 3 {Omega}{sup {minus}1} cm{sup {minus}1} and a lateral mobility as high as 105 cm{sup 2}/V s at room temperature. The conductivity type has been confirmed by ultraviolet photoelectron and x-ray photoelectron spectroscopy which were compared with n-type single crystals. A freestanding film pealed off from a Pt coated quartz substrate and mounted on a brass holder was investigated photoelectrochemically. Using a 0.2 M Fe{sup 2+}/Fe{sup 3+} redox electrolyte in 0.5 M H{sub 2}SO{sub 4} an open-circuit voltage of {approx}100 mV and a short-circuit current of 5 mA/cm{sup 2} has been detected for the first time.

  14. Similar elimination rates of glucagon-like peptide-1 in obese type 2 diabetic patients and healthy subjects

    DEFF Research Database (Denmark)

    Vilsbøll, Tina; Agersø, H; Krarup, T

    2003-01-01

    of this study was to examine the pharmacokinetics of GLP-1 in healthy subjects and type 2 diabetic patients after iv bolus doses ranging from 2.5-25 nmol/subject. Bolus injections iv of 2.5, 5, 15, and 25 nmol of GLP-1 and a meal test were performed in six type 2 diabetic patients [age, mean (range): 56 (48...... response seen after ingestion of a standard breakfast meal must therefore be caused by a decreased secretion of GLP-1 in type 2 diabetic patients....

  15. X-ray detection with Micromegas with background levels below 10$^{-6}$ keV$^{-1}$cm$^{-2}$s$^{-1}$

    CERN Document Server

    Aune, S; Calvet, D.; Dafni, T.; Diago, A.; Druillole, F.; Fanourakis, G.; Ferrer-Ribas, E.; Galán, J.; García, J.A.; Gardikiotis, A.; Garza, J.G.; Geralis, T.; Giomataris, I.; Gómez, H.; González-Díaz, D.; Herrera, D.C.; Iguaz, F.J.; Irastorza, I.G.; Jourde, D.; Luzón, G.; Mirallas, H.; Mols, J.P.; Papaevangelou, T.; Rodríguez, A.; Seguí, L.; Tomás, A.; Vafeiadis, T.; Yildiz, S.C.

    2013-01-01

    Micromegas detectors are an optimum technological choice for the detection of low energy x-rays. The low background techniques applied to these detectors yielded remarkable background reductions over the years, being the CAST experiment beneficiary of these developments. In this document we report on the latest upgrades towards further background reductions and better understanding of the detectors' response. The upgrades encompass the readout electronics, a new detector design and the implementation of a more efficient cosmic muon veto system. Background levels below 10$^{-6}$keV$^{-1}$cm$^{-2}$s$^{-1}$ have been obtained at sea level for the first time, demonstrating the feasibility of the expectations posed by IAXO, the next generation axion helioscope. Some results obtained with a set of measurements conducted in the x-ray beam of the CAST Detector Laboratory will be also presented and discussed.

  16. An i.r. investigation on some calcium aluminate hydrates, Ca2Al(OH)6+X-.yH2O (= 3CaO.Al2O3.CaX2.nH2O, X- = univalent anion)

    NARCIS (Netherlands)

    Houtepen, C.J.M.; Stein, H.N.

    1976-01-01

    The i.r. spectra of some hydrated and dehydrated calcium aluminate hydrates of the type Ca2Al(OH)6+X-·yH2O with X- = Cl-, Br-, J-, ClO3-, NO3-, ClO4- (y = 2) and X- = BrO3-, JO3- (2 cm-1. With increasing interaction of the interlayer water with the anions

  17. Bayesian constraints on the global 21-cm signal from the Cosmic Dawn

    Science.gov (United States)

    Bernardi, G.; Zwart, J. T. L.; Price, D.; Greenhill, L. J.; Mesinger, A.; Dowell, J.; Eftekhari, T.; Ellingson, S. W.; Kocz, J.; Schinzel, F.

    2016-09-01

    The birth of the first luminous sources and the ensuing epoch of reionization are best studied via the redshifted 21-cm emission line, the signature of the first two imprinting the last. In this work, we present a fully Bayesian method, HIBAYES, for extracting the faint, global (sky-averaged) 21-cm signal from the much brighter foreground emission. We show that a simplified (but plausible) Gaussian model of the 21-cm emission from the Cosmic Dawn epoch (15 ≲ z ≲ 30), parametrized by an amplitude A_{H I}, a frequency peak ν _{H I} and a width σ _{H I}, can be extracted even in the presence of a structured foreground frequency spectrum (parametrized as a seventh-order polynomial), provided sufficient signal-to-noise (400 h of observation with a single dipole). We apply our method to an early, 19-min-long observation from the Large aperture Experiment to detect the Dark Ages, constraining the 21-cm signal amplitude and width to be -890 6.5 MHz (corresponding to Δz > 1.9 at redshift z ≃ 20) respectively at the 95-per cent confidence level in the range 13.2 ν > 50 MHz).

  18. hSSB1 (NABP2/OBFC2B) is regulated by oxidative stress

    OpenAIRE

    Nicolas Paquet; Mark N. Adams; Nicholas W. Ashton; Christine Touma; Roland Gamsjaeger; Liza Cubeddu; Vincent Leong; Sam Beard; Emma Bolderson; Catherine H. Botting; Kenneth J. O’Byrne; Derek J. Richard

    2016-01-01

    The maintenance of genome stability is an essential cellular process to prevent the development of diseases including cancer. hSSB1 (NABP2/ OBFC2A) is a critical component of the DNA damage response where it participates in the repair of double-strand DNA breaks and in base excision repair of oxidized guanine residues (8-oxoguanine) by aiding the localization of the human 8-oxoguanine glycosylase (hOGG1) to damaged DNA. Here we demonstrate that following oxidative stress, hSSB1 is stabilized ...

  19. Molecular enhancement of Balmer emissions following foil-induced dissociation of fast H2+ and H3+ ions

    International Nuclear Information System (INIS)

    Kobayashi, H.; Oda, N.

    1984-01-01

    Relative emission yields of Balmer lines as functions of the dwell time (t/sub D/ = 0.97--54.1 fs) in thin carbon foils (2--68 μg/cm 2 ) have been measured with (0.2--0.8)-MeV/amu H + , H 2 + , and H 3 + incident on thin carbon foils. Large molecular effects for emission yields of Balmer lines have been observed for H 2 + and H 3 + , where the molecular effect for H 3 + is larger than that for H 2 + . The molecular effects for H 2 + and H 3 + depend on the principal quantum number (n = 3--6), but this n dependence disappears at the largest t/sub D/ ( = 54.1 fs). The molecular effects rapidly decrease with increasing t/sub D/ in the small-t/sub D/ ( or approx. =2 fs) region. The magnitudes of the molecular effects at the largest t/sub D/ ( = 54.1 fs) are in good agreement with those by Andresen et al. [Phys. Scr. 19, 335 (1979)]. Relative populations of n-state hydrogens in the large-t/sub D/ (> or approx. =2 fs) region have been derived from the relative yields of Balmer lines as functions of n and t/sub D/. The molecular enhancement for relative populations of n-state hydrogens for H 2 + depends on n and t/sub D/, and decreases with increasing t/sub D/ and increases with increasing n

  20. 1-Decyl-6-nitro-1H-benzimidazol-2(3H-one

    Directory of Open Access Journals (Sweden)

    Younes Ouzidan

    2011-11-01

    Full Text Available The title molecule, C17H25N3O3, is built up from fused six- and five-membered rings linked to a –C10H21 chain. The fused-ring system is essentially planar, the largest deviation from the mean plane being 0.009 (2 Å. The chain is roughly perpendicular to this plane, making a dihedral angle of 79.5 (2°. In the crystal, N—H...O hydrogen bonds build infinite chains along [010]. There are channels in the structure containing disordered hexane. The contribution of this solvent to the scattering power was suppressed using the SQUEEZE option in PLATON [Spek (2009. Acta Cryst. D65, 148–155].

  1. High resolution spectroscopy of jet cooled phenyl radical: The ν{sub 1} and ν{sub 2} a{sub 1} symmetry C–H stretching modes

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Chih-Hsuan; Nesbitt, David J. [JILA, National Institute of Standards and Technology, University of Colorado, Boulder, Colorado 80309, USA and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309 (United States)

    2016-07-28

    A series of CH stretch modes in phenyl radical (C{sub 6}H{sub 5}) has been investigated via high resolution infrared spectroscopy at sub-Doppler resolution (∼60 MHz) in a supersonic discharge slit jet expansion. Two fundamental vibrations of a{sub 1} symmetry, ν{sub 1} and ν{sub 2}, are observed and rotationally analyzed for the first time, corresponding to in-phase and out-of-phase symmetric CH stretch excitation at the ortho/meta/para and ortho/para C atoms with respect to the radical center. The ν{sub 1} and ν{sub 2} band origins are determined to be 3073.968 50(8) cm{sup −1} and 3062.264 80(7) cm{sup −1}, respectively, which both agree within 5 cm{sup −1} with theoretical anharmonic scaling predictions based on density functional B3LYP/6-311g++(3df,3dp) calculations. Integrated band strengths for each of the CH stretch bands are analyzed, with the relative intensities agreeing remarkably well with theoretical predictions. Frequency comparison with previous low resolution Ar-matrix spectroscopy [A. V. Friderichsen et al., J. Am. Chem. Soc. 123, 1977 (2001)] reveals a nearly uniform Δν ≈ + 10-12 cm{sup −1} blue shift between gas phase and Ar matrix values for ν{sub 1} and ν{sub 2}. This differs substantially from the much smaller red shift (Δν ≈ − 1 cm{sup −1}) reported for the ν{sub 19} mode, and suggests a simple physical model in terms of vibrational mode symmetry and crowding due to the matrix environment. Finally, the infrared phenyl spectra are well described by a simple asymmetric rigid rotor Hamiltonian and show no evidence for spectral congestion due to intramolecular vibrational coupling, which bodes well for high resolution studies of other ring radicals and polycyclic aromatic hydrocarbons. In summary, the combination of slit jet discharge methods with high resolution infrared lasers enables spectroscopic investigation of even highly reactive combustion and interstellar radical intermediates under gas phase, jet

  2. Final Hazard Categorization for the Remediation of the 118-D-1, 118-D-2, 118-D-3, 118-H-1, 118-H-2, and 118-H-3 Solid Waste Burial Grounds

    Energy Technology Data Exchange (ETDEWEB)

    J.D. Ludowise

    2009-06-17

    This report presents the final hazard categorization for the remediation of the 118-D-1, 118-D-2, 118-D-3 Burial Grounds located within the 100-D/DR Area of the Hanford Site and the 118-H-1, 118-H-2, and 118-H-3 Burial Grounds located within the 100-H Area of the Hanford Site. A material at risk calculation was performed that determined the radiological inventory for each burial ground to be Hazard Category 3.

  3. Electron capture, electron loss, and deexcitation of fast H(2 2S) and H(1 2S) atoms in collisions with molecular hydrogen and inert gases

    International Nuclear Information System (INIS)

    Roussel, F.; Pradel, P.; Spiess, G.

    1977-01-01

    Collisions of ground-state (1 2 S) and metastable (2 2 S) hydrogen atoms with rare gases and molecular hydrogen have been studied in the energy range 0.5--3.0 keV. For an acceptance angle of 55 mrad, the electron loss and the electron-capture cross sections of both H(1 2 S) and H(2 2 S) have been measured and compared with previous experimental values. The deexcitation cross section for H(2 2 S) has been deduced with the help of previously measured total-quenching cross sections for H(2 2 S). The ratio of the electron-capture cross sections for H(2 2 S) relative to H(1 2 S) is found to be very large for argon at low energies. The effects of large-angle scattering and of highly excited states of H are discussed

  4. Identifikasi Secara Serologi Galur Virus Flu Burung Subtipe H5N1 Clade 2.1.3 dan Clade 2.3.2 pada Ayam Petelur (SEROLOGICAL IDENTIFICATION OF AVIAN INFLUENZA STRAIN VIRUS SUBTYPE H5N1 CLADE 2.1.3 AND CLADE 2.3.2 FROM LAYER