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Sample records for 1h 2h 3h

  1. Method for determination of .sup.18 O/.sup.16 O and .sup.2 H/.sup.1 H ratios and .sup.3 H (tritium) concentrations of xylem waters and subsurface waters using time series sampling

    Science.gov (United States)

    Smith, Brian; Menchaca, Leticia

    1999-01-01

    A method for determination of .sup.18 O/.sup.16 O and .sup.2 H/.sup.1 H ratios and .sup.3 H concentrations of xylem and subsurface waters using time series sampling, insulating sampling chambers, and combined .sup.18 O/.sup.16 O, .sup.2 H/.sup.1 H and .sup.3 H concentration data on transpired water. The method involves collecting water samples transpired from living plants and correcting the measured isotopic compositions of oxygen (.sup.18 O/.sup.16 O) and hydrogen (.sup.2 H/.sup.1 H and/or .sup.3 H concentrations) to account for evaporative isotopic fractionation in the leafy material of the plant.

  2. Hydrophobization of epoxy nanocomposite surface with 1H,1H,2H,2H-perfluorooctyltrichlorosilane for superhydrophobic properties

    Science.gov (United States)

    Psarski, Maciej; Marczak, Jacek; Celichowski, Grzegorz; Sobieraj, Grzegorz; Gumowski, Konrad; Zhou, Feng; Liu, Weimin

    2012-10-01

    Nature inspires the design of synthetic materials with superhydrophobic properties, which can be used for applications ranging from self-cleaning surfaces to microfluidic devices. Their water repellent properties are due to hierarchical (micrometer- and nanometre-scale) surface morphological structures, either made of hydrophobic substances or hydrophobized by appropriate surface treatment. In this work, the efficiency of two surface treatment procedures, with a hydrophobic fluoropolymer, synthesized and deposited from 1H,1H,2H,2H-perfluorooctyltrichlorosilane (PFOTS) is investigated. The procedures involved reactions from the gas and liquid phases of the PFOTS/hexane solutions. The hierarchical structure is created in an epoxy nanocomposite surface, by filling the resin with alumina nanoparticles and micron-sized glass beads and subsequent sandblasting with corundum microparticles. The chemical structure of the deposited fluoropolymer was examined using XPS spectroscopy. The topography of the modified surfaces was characterized using scanning electron microscopy (SEM), and atomic force microscopy (AFM). The hydrophobic properties of the modified surfaces were investigated by water contact and sliding angles measurements. The surfaces exhibited water contact angles of above 150° for both modification procedures, however only the gas phase modification provided the non-sticking behaviour of water droplets (sliding angle of 3°). The discrepancy is attributed to extra surface roughness provided by the latter procedure.

  3. /sup 3/H-/sup 1/H shift correlation NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Funke, C.W.; Wagenaars, G.N.; Kaspersen, F.M.

    1986-05-01

    Three two-dimensional /sup 3/H-/sup 1/H chemical shift correlation experiments are described, all using familiar pulse sequences. The experiments reveal the chemical shifts of the /sup 1/H spins which are coupled scalarly to a /sup 3/H spin and, thus, assist in the unambiguous location of this /sup 3/H spin within the molecule. The limitations for molecules involving a /sup 3/H spin which is coupled differently to various /sup 1/H spins are indicated. In practice, the detection limit is of the order of 100 MBq per /sup 3/H-labelling site.

  4. {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions at sub-coulomb energies

    Energy Technology Data Exchange (ETDEWEB)

    Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Sparta, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Universita degli Studi di Enna Kore, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Cyclotron Institute Texas A and M University - College Station, Texas (United States); Excellence Cluster Universe - Technische Universitaet Muenchen, Garching, Germany and GSI Helmholtzzentrum fuer Schwerionenforschung GmbH - Theorie Darmstadt (Germany); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); School of Physics and Astronomy - University of Edinburgh, SUPA (United Kingdom); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy)

    2012-11-20

    The {sup 2}H({sup 3}He,p{sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n{sup 3}He){sup 1}H processes have been measured in quasi free kinematics to investigate for the first time the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions by means of the Trojan Horse Method. The {sup 3}He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4{+-}1.8 MeVb for {sup 3}H+p and 60.1{+-}1.9 MeVb for {sup 3}He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

  5. 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.

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

    International Nuclear Information System (INIS)

    In two trimethylsilyl-substituted 1H-benzimidazole-2(3H)-thiones, noncovalent C—H⋯π interactions between the centroid of the benzmidazole system and the SiMe3 groups form helicoidal arrangements in one, and dimerization results in the formation of Rs 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, C13H22N2SSi2, (2), and 1-trimethylsilyl-1H-benzimidazole-2(3H)-thione, C10H14N2SSi, (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 SiMe3 groups form helicoidal arrangements in (2). Dimerization of (3) results in the formation of R22(8) rings via N—H⋯S interactions, along with parallel π–π interactions between imidazole and benzene rings

  7. New determination of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reaction rates at astrophysical energies

    Energy Technology Data Exchange (ETDEWEB)

    Tumino, A.; Spartà, R.; Spitaleri, C.; Pizzone, R. G.; La Cognata, M.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Laboratori Nazionali del Sud-INFN, Catania (Italy); Mukhamedzhanov, A. M. [Cyclotron Institute Texas A and M University-College Station, Texas (United States); Typel, S. [GSI Helmholtzzentrum für Schwerionenforschung GmbH-Theorie Darmstadt (Germany); Tognelli, E.; Degl' Innocenti, S.; Prada Moroni, P. G. [Dipartimento di Fisica, Università di Pisa, and INFN-Sezione di Pisa, Pisa (Italy); Burjan, V.; Kroha, V.; Hons, Z.; Mrazek, J.; Piskor, S. [Nuclear Physics Institute of ASCR-Rez near Prague (Czech Republic); Lamia, L., E-mail: tumino@lns.infn.it [Dipartimento di Fisica e Astronomia, Università degli Studi di Catania, Catania (Italy)

    2014-04-20

    The cross sections of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions have been measured via the Trojan Horse method applied to the quasi-free {sup 2}H({sup 3}He,p {sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n {sup 3}He){sup 1}H processes at 18 MeV off the proton in {sup 3}He. For the first time, the bare nucleus S(E) factors have been determined from 1.5 MeV, across the relevant region for standard Big Bang nucleosynthesis, down to the thermal energies of deuterium burning in the pre-main-sequence (PMS) phase of stellar evolution, as well as of future fusion reactors. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from the available direct data and existing fitting curves, with substantial variations in the electron screening by more than 50%. As a consequence, the reaction rates for astrophysics experience relevant changes, with a maximum increase of up to 20% at the temperatures of the PMS phase. From a recent primordial abundance sensitivity study, it turns out that the {sup 2}H(d,n){sup 3}He reaction is quite influential on {sup 7}Li, and the present change in the reaction rate leads to a decrease in its abundance by up to 10%. The present reaction rates have also been included in an updated version of the FRANEC evolutionary code to analyze their influence on the central deuterium abundance in PMS stars with different masses. The largest variation of about 10%-15% pertains to young stars (≤1 Myr) with masses ≥1 M {sub ☉}.

  8. Study of the tau- -> 3h- 2h+ nu-tau Decay

    CERN Document Server

    Aubert, B; Boutigny, D; Couderc, F; Gaillard, J M; Hicheur, A; Karyotakis, Yu; Lees, J P; Tisserand, V; Zghiche, A; Palano, A; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Borgland, A W; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, Michael T; Shelkov, V G; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Fritsch, M; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Steinke, M; Boyd, J T; Chevalier, N; Cottingham, W N; Kelly, M P; Latham, T E; Wilson, F F; Çuhadar-Dönszelmann, T; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Thiessen, D; Khan, A; Kyberd, P; Teodorescu, L; Blinov, A E; Blinov, V E; Druzhinin, V P; Golubev, V B; Ivanchenko, V N; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Bruinsma, M; Chao, M; Eschrich, I; Kirkby, D; Lankford, A J; Mandelkern, M A; Mommsen, R K; Röthel, W; Stoker, D P; Buchanan, C; Hartfiel, B L; Foulkes, S D; Gary, J W; Shen, B C; Wang, K; Del Re, D; Hadavand, H K; Hill, E J; MacFarlane, D B; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Dahmes, B; Long, O; Lu, A; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Eisner, A M; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Yang, S; Jayatilleke, S M; Mancinelli, G; Meadows, B T; Sokoloff, M D; Abe, T; Blanc, F; Bloom, P; Chen, S; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Smith, J G; Zhang, J; Zhang, L; Chen, A; Harton, J L; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q; Altenburg, D; Brandt, T; Brose, J; Dickopp, M; Feltresi, E; Hauke, A; Lacker, H M; Müller-Pfefferkorn, R; Nogowski, R; Otto, S; Petzold, A; Schubert, J; Schubert, Klaus R; Schwierz, R; Spaan, B; Sundermann, J E; Bernard, D; Bonneaud, G R; Brochard, F; Grenier, P; Schrenk, S; Thiebaux, C; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; Lavin, D; Muheim, F; Playfer, S; Xie, Y; Andreotti, M; Azzolini, V; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Sarti, A; Treadwell, E; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; De Sangro, R; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Crosetti, G; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Bailey, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Won, E; Dubitzky, R S; Langenegger, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Gaillard, J R; Morton, G W; Nash, J A; Nikolich, M B; Taylor, G P; Charles, M J; Grenier, G J; Mallik, U; Cochran, J; Crawley, H B; Lamsa, J; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Yi, J; Biasini, M; Covarelli, R; Pioppi, M; Davier, M; Giroux, X; Grosdidier, G; Höcker, A; Laplace, S; Le Diberder, F R; Lepeltier, V; Lutz, A M; Petersen, T C; Plaszczynski, S; Schune, M H; Tantot, L; Wormser, G; Cheng, C H; Lange, D J; Simani, M C; Wright, D M; Bevan, A J; Chavez, C A; Coleman, J P; Forster, I J; Fry, J R; Gabathuler, Erwin; Gamet, R; Hutchcroft, D E; Parry, R J; Payne, D J; Sloane, R J; Touramanis, C; Back, J J; Harrison, P F; Mohanty, G B; Cowan, G; Flack, R L; Flächer, H U; Green, M G; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Winter, M A; Brown, D; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Hart, P A; Hodgkinson, M C; Lafferty, G D; Lyon, A J; Williams, J C; Farbin, A; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Flood, K T; Hertzbach, S S; Kofler, R; Koptchev, V B; Moore, T B; Saremi, S; Stängle, H; Willocq, S; Cowan, R; Sciolla, G; Sekula, S J; Taylor, F; Yamamoto, R K; Mangeol, D J J; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L M; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Nicholson, H; Cavallo, N; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Wilden, L; Jessop, C P; LoSecco, J M; Allmendinger, T; Gan, K K; Honscheid, K; Hufnagel, D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonian, R; Wong, Q K; Brau, J E; Frey, R; Igonkina, O; Potter, C T; Sinev, N B; Strom, D; Torrence, E; Colecchia, F; Dorigo, A; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Tiozzo, G; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; La Vaissière, C de; Del Buono, L; Hamon, O; John, M J J; Leruste, P; Malcles, J; Ocariz, J; Pivk, M; Roos, L; T'Jampens, S; Therin, G; Manfredi, P F; Re, V; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Angelini, C; Batignani, G; Bettarini, S; Bondioli, M; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Martínez-Vidal, F; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Sandrelli, F; Walsh, J; Haire, M; Judd, D; Paick, K; Wagoner, D E; Danielson, N; Elmer, P; Lau, Y P; Lü, C; Miftakov, V; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Pierini, M; Piredda, G; Safai-Tehrani, F; Voena, C; Christ, S; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B J; Geddes, N I; Gopal, G P; Olaiya, E O; Aleksan, Roy; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P F; Hamel de Monchenault, G; Kozanecki, Witold; Legendre, M; London, G W; Mayer, B; Schott, G; Vasseur, G; Yéche, C; Zito, M; Purohit, M V; Weidemann, A W; Wilson, J R; Yumiceva, F X; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmüller, O L; Claus, R; Convery, M R; Cristinziani, M; De Nardo, Gallieno; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W M; Elsen, E E; Fan, S; Field, R C; Glanzman, T; Gowdy, S J; Hadig, T; Halyo, V; Hast, C; Hrynóva, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Libby, J; Luitz, S; Lüth, V; Lynch, H L; Marsiske, H; Messner, R; Müller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Petrak, S; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Simi, G; Snyder, A; Soha, A; Stelzer, J; Su, D; Sullivan, M K; Vavra, J; Wagner, S R; Weaver, M; Weinstein, A J R; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Young, C C; Burchat, Patricia R; Edwards, A J; Meyer, T I; Petersen, B A; Roat, C; Ahmed, S; Alam, M S; Ernst, J A; Saeed, M A; Saleem, M; Wappler, F R; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Kim, H; Ritchie, J L; Satpathy, A; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Bóna, M; Gallo, F; Gamba, D; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Poropat, P; Vuagnin, G; Panvini, R S; Banerjee, Sw; Brown, C M; Fortin, D; Jackson, P D; Kowalewski, R V; Roney, J M; Sobie, R J; Band, H R; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mihályi, A; Mohapatra, A K; Pan, Y; Prepost, R; Tan, P; Von Wimmersperg-Töller, J H; Wu, J; Wu, S L; Yu, Z; Greene, M G; Neal, H

    2004-01-01

    A preliminary measurement of the branching fraction of the tau- -> 3h-2h+nu decay (h= pi, K$) with the BaBar detector is found to be {8.52 +/- 0.09 +/- 0.40} x 10E-4, where the first error is statistical and the second is systematic. The data show evidence that the rho resonance plays a strong role in the decay of the tau lepton to five charged hadrons.

  9. Determination of the delta(2H/1H)of Water: RSIL Lab Code 1574

    Science.gov (United States)

    Revesz, Kinga; Coplen, Tyler B.

    2008-01-01

    Reston Stable Isotope Laboratory (RSIL) lab code 1574 describes a method used to determine the relative hydrogen isotope-ratio delta(2H,1H), abbreviated hereafter as d2H of water. The d2H measurement of water also is a component of the National Water Quality Laboratory (NWQL) schedules 1142 and 1172. The water is collected unfiltered in a 60-mL glass bottle and capped with a Polyseal cap. In the laboratory, the water sample is equilibrated with gaseous hydrogen using a platinum catalyst (Horita, 1988; Horita and others, 1989; Coplen and others, 1991). The reaction for the exchange of one hydrogen atom is shown in equation 1.

  10. The nuclear reaction n + 3He -> 1H + 3H as proximity reaction

    International Nuclear Information System (INIS)

    The present thesis tries to give by means of the nuclear reaction n + 3He -> 1H + 3H as proximity reaction on the three-particle system 3He + 9Be -> 1H + 3H + 8Be an experimental verification to the second term of a multiple scattering series. The study of these rescattering effects is of great interest for the present theory of the final-state interaction. At three incident energies (7.08 MeV, 8.98 MeV, and 6.37 MeV) to detector telescopes identify the exit channel of the three-particle system in list-mode coincidence experiments according to protons and tritons. Peaks on the kinematical curves occur. The detailed study of their kinematic behaviour allows to exclude the inconcurrence to the proximity reaction lying cascade decays via intermediate states in 4He, 9B, and 11B. Regarding the Coulomb interaction the experimental results can be also explained in the sense of the classical kinematics by the proximity model. (orig.)

  11. NMR resonance splitting of urea in stretched hydrogels: proton exchange and (1)H/(2)H isotopologues.

    Science.gov (United States)

    Kuchel, Philip W; Naumann, Christoph; Chapman, Bogdan E; Shishmarev, Dmitry; Håkansson, Pär; Bacskay, George; Hush, Noel S

    2014-10-01

    Urea at ∼12 M in concentrated gelatin gel, that was stretched, gave (1)H and (2)H NMR spectral splitting patterns that varied in a predictable way with changes in the relative proportions of (1)H2O and (2)H2O in the medium. This required consideration of the combinatorics of the two amide groups in urea that have a total of four protonation/deuteration sites giving rise to 16 different isotopologues, if all the atoms were separately identifiable. The rate constant that characterized the exchange of the protons with water was estimated by back-transformation analysis of 2D-EXSY spectra. There was no (1)H NMR spectral evidence that the chiral gelatin medium had caused in-equivalence in the protons bonded to each amide nitrogen atom. The spectral splitting patterns in (1)H and (2)H NMR spectra were accounted for by intra-molecular scalar and dipolar interactions, and quadrupolar interactions with the electric field gradients of the gelatin matrix, respectively.

  12. 1H and 2H NMR study in paramagnetic solutions of Eu3+ nitrate

    International Nuclear Information System (INIS)

    The dependence of the spin-lattice rate(1/T1) of 1H and 2H nuclei for the 2.1 T magnetic field of the concentration (from 0.1 to 2.75 mol) of Eu3+ paramagnetic ions in the range from 263 K to 373 K is presented . Also the NMRD profield for the frecuency range from 0.1 to 500 Mhz is showed

  13. The Cac1 subunit of histone chaperone CAF-1 organizes CAF-1-H3/H4 architecture and tetramerizes histones

    Science.gov (United States)

    Liu, Wallace H; Roemer, Sarah C; Zhou, Yeyun; Shen, Zih-Jie; Dennehey, Briana K; Balsbaugh, Jeremy L; Liddle, Jennifer C; Nemkov, Travis; Ahn, Natalie G; Hansen, Kirk C; Tyler, Jessica K; Churchill, Mair EA

    2016-01-01

    The histone chaperone Chromatin Assembly Factor 1 (CAF-1) deposits tetrameric (H3/H4)2 histones onto newly-synthesized DNA during DNA replication. To understand the mechanism of the tri-subunit CAF-1 complex in this process, we investigated the protein-protein interactions within the CAF-1-H3/H4 architecture using biophysical and biochemical approaches. Hydrogen/deuterium exchange and chemical cross-linking coupled to mass spectrometry reveal interactions that are essential for CAF-1 function in budding yeast, and importantly indicate that the Cac1 subunit functions as a scaffold within the CAF-1-H3/H4 complex. Cac1 alone not only binds H3/H4 with high affinity, but also promotes histone tetramerization independent of the other subunits. Moreover, we identify a minimal region in the C-terminus of Cac1, including the structured winged helix domain and glutamate/aspartate-rich domain, which is sufficient to induce (H3/H4)2 tetramerization. These findings reveal a key role of Cac1 in histone tetramerization, providing a new model for CAF-1-H3/H4 architecture and function during eukaryotic replication. DOI: http://dx.doi.org/10.7554/eLife.18023.001 PMID:27690308

  14. 1H, 1H, 2H, 2H-Perfluoroalkyl-Functionalization of Ni(II), Pd(II) and Pt(II) Mono- and Diphosphine Complexes : minimizing the Electronic Consequences for the Metal Center

    NARCIS (Netherlands)

    Koten, G. van; Wolf, E. de; Mens, A.J.M.; Gijzeman, O.L.J.; Lenthe, J.H. van; Jenneskens, L.W.; Deelman, B.J.

    2003-01-01

    A series of fluorous derivatives of group 10 complexes MCl2(dppe) and [M(dppe)2](BF4)2 (M = Ni, Pd or Pt; dppe = 1,2-bis(diphenylphosphino)ethane) and cis-PtCl2(PPh3)2 was synthesized. The influence of para-(1H,1H,2H,2H-perfluoroalkyl)dimethylsilyl-functionalization of the phosphine phenyl groups of

  15. Rapid solid-state NMR of deuterated proteins by interleaved cross-polarization from 1H and 2H nuclei

    Science.gov (United States)

    Bjerring, Morten; Paaske, Berit; Oschkinat, Hartmut; Akbey, Ümit; Nielsen, Niels Chr.

    2012-01-01

    We present a novel sampling strategy, interleaving acquisition of multiple NMR spectra by exploiting initial polarization subsequently from 1H and 2H spins, taking advantage of their different T1 relaxation times. Different 1H- and 2H-polarization based spectra are in this way simultaneously recorded improving either information content or sensitivity by adding spectra. The so-called Relaxation-optimized Acquisition of Proton Interleaved with Deuterium (RAPID) 1H → 13C/ 2H → 13C CP/MAS multiple-acquisition method is demonstrated by 1D and 2D experiments using a uniformly 2H, 15N, 13C-labeled α-spectrin SH3 domain sample with all or 30% back-exchanged labile 2H to 1H. It is demonstrated how 1D 13C CP/MAS or 2D 13C- 13C correlation spectra initialized with polarization from either 1H or 2H may be recorded simultaneously with flexibility to be added or used individually for spectral editing. It is also shown how 2D 13C- 13C correlation spectra may be recorded interleaved with 2H- 13C correlation spectra to obtain 13C- 13C correlations along with information about dynamics from 2H sideband patterns.

  16. Ab initio study of {sup 2}H(d,{gamma}){sup 4}He, {sup 2}H(d,p){sup 3}H, and {sup 2}H(d,n){sup 4}He reactions and the tensor force

    Energy Technology Data Exchange (ETDEWEB)

    Arai, K.; Aoyama, S.; Suzuki, Y.; Descouvemont, P.; Baye, D. [Division of General Education, Nagaoka National College of Technology, 888 Nishikatakai, Nagaoka, Niigata, 940-8532 (Japan); Center for Academic Information Service, Niigata University, Niigata 950-2181 (Japan); Department of Physics, Niigata University, Niigata 950-2181, Japan and RIKEN Nishina Center, Wako 351-0198 (Japan); Physique Nucleaire Theorique et Physique Mathematique, C.P.229, Universite Libre de Bruxelles, B 1050 Brussels (Belgium); Physique Quantique, CP165/82, Universite Libre de Bruxelles, B-1050 Brussels (Belgium)

    2012-11-12

    The {sup 2}H(d,p){sup 3}H, {sup 2}H(d,n){sup 3}He, and {sup 2}H(d,{gamma}){sup 4}He reactions at low energies are studied with realistic nucleon-nucleon interactions in an ab initio approach. The obtained astrophysical S-factors are all in very good agreement with experiment. The most important channels for both transfer and radiative capture are all found to dominate thanks to the tensor force.

  17. Trojan Horse particle invariance for 2H(d,p)3H reaction: a detailed study

    OpenAIRE

    Pizzone R.G.; Spitaleri C.; Bertulani C.A.; Mukhamedzhanov A.M.; Blokhintsev L.; La Cognata M.; Lamia L.; Rinollo A.; Spartá R.; Tumino A.

    2014-01-01

    In the last decades the Trojan Horse method has played a crucial role for the measurement of several charged particle induced reactions cross sections of astrophysical interest. To better understand its cornerstones and its applications to physical cases many tests were performed to verify all its properties and the possible future perspectives. The Trojan Horse nucleus invariance for the binary d(d,p)t reaction was therefore tested using the quasi free 2H(6Li, pt)4He and 2H(3He,pt)H reaction...

  18. Trojan Horse particle invariance for 2H(d,p3H reaction: a detailed study

    Directory of Open Access Journals (Sweden)

    Pizzone R.G.

    2014-03-01

    Full Text Available In the last decades the Trojan Horse method has played a crucial role for the measurement of several charged particle induced reactions cross sections of astrophysical interest. To better understand its cornerstones and its applications to physical cases many tests were performed to verify all its properties and the possible future perspectives. The Trojan Horse nucleus invariance for the binary d(d,pt reaction was therefore tested using the quasi free 2H(6Li, pt4He and 2H(3He,ptH reactions after 6Li and 3He break-up, respectively. The astrophysical S(E-factor for the d(d,pt binary process was then extracted in the framework of the Plane Wave Approximation applied to the two different break-up schemes. The obtained results are compared with direct data as well as with previous indirect investigations. The very good agreement confirms the applicability of the plane wave approximation and suggests the independence of binary indirect cross section on the chosen Trojan Horse nucleus also for the present case.

  19. Trojan Horse particle invariance for 2H(d,p)3H reaction: a detailed study

    Science.gov (United States)

    Pizzone, R. G.; Spitaleri, C.; Bertulani, C. A.; Mukhamedzhanov, A. M.; Blokhintsev, L.; La Cognata, M.; Lamia, L.; Rinollo, A.; Spartá, R.; Tumino, A.

    2014-03-01

    In the last decades the Trojan Horse method has played a crucial role for the measurement of several charged particle induced reactions cross sections of astrophysical interest. To better understand its cornerstones and its applications to physical cases many tests were performed to verify all its properties and the possible future perspectives. The Trojan Horse nucleus invariance for the binary d(d,p)t reaction was therefore tested using the quasi free 2H(6Li, pt)4He and 2H(3He,pt)H reactions after 6Li and 3He break-up, respectively. The astrophysical S(E)-factor for the d(d,p)t binary process was then extracted in the framework of the Plane Wave Approximation applied to the two different break-up schemes. The obtained results are compared with direct data as well as with previous indirect investigations. The very good agreement confirms the applicability of the plane wave approximation and suggests the independence of binary indirect cross section on the chosen Trojan Horse nucleus also for the present case.

  20. Controls on compound specific 2H/1H of leaf waxes along a North American monsoonal transect

    Science.gov (United States)

    Berke, M. A.; Tipple, B. J.; Hambach, B.; Ehleringer, J. R.

    2013-12-01

    The use of hydrogen isotope ratios of sedimentary n-alkanes from leaf waxes has become an important method for the reconstruction of paleohydrologic conditions. Ideally, the relationship between lipid 2H/1H values and source water is one-to-one. But the extent to which the 2H/1H values are altered between initial source water and lipid 2H/1H values varies by plant type and environment. Additionally, these variables may be confounded by use of varied source waters by plants in the same ecosystem. Here, we use a transect study across the arid southwestern landscape of the United States, which is heavily influenced by the North American Monsoon, to study the variability in 2H/1H values of leaf waxes in co-occurring plants from Tucson, Arizona to Salt Lake City, Utah. Perennials, including rabbit brush (Chrysothamnus nauseosus), sagebrush (Artemisia tridentata), and gambel oak (Quercus gambelii) and an annual plant, sunflower (Helianthus annuus), were chosen for their wide geographic distribution along the entire transect. Our results indicate that n-alkane distribution for each plant was similar and generally showed no relationship to environmental variables (elevation, mean annual precipitation, latitude, and temperature). However, we find evidence of n-alkane 2H/1H value relating to transect latitude, a relationship that is weaker for all samples combined than the strong individual correlation for each plant species. Further, these 2H/1H values suggest that not all plants in the monsoon region utilize monsoon-delivered precipitation. These results imply an adaptation to discontinuous spatial coverage and amount of monsoonal precipitation and suggest care must be taken when assuming consistent source water for different plants, particularly in regions with highly seasonal precipitation delivery.

  1. A NOTE ON THE CONSTRUCTION OF SYMPLECTIC SCHEMES FOR SPLITABLE HAMILTONIAN H = H(1) + H(2) + H(3)

    Institute of Scientific and Technical Information of China (English)

    Yifa Tang

    2002-01-01

    In this note, we will give a proof for the uniqueness of 4th-order time-reversible sym-plectic difference schemes of 13th-fold compositions of phase flows φtH(1), t tφH(2), φH(3) withdifferent temporal parameters for splitable hamiltonian H - H(1) + H(2) + H(3).

  2. Measurement of the 2H(d ,p ) 3H reaction at astrophysical energies via the Trojan-horse method

    Science.gov (United States)

    Li, Chengbo; Wen, Qungang; Fu, Yuanyong; Zhou, Jing; Zhou, Shuhua; Meng, Qiuying; Spitaleri, C.; Tumino, A.; Pizzone, R. G.; Lamia, L.

    2015-08-01

    The study of the 2H(d ,p ) 3H reaction is very important for the nucleosynthesis in both the standard Big Bang and stellar evolution, as well as for the future fusion reactor's planning of energy production. The 2H(d ,p ) 3H bare nucleus astrophysical S (E ) factor has been measured indirectly at energies from about 400 keV down to several keV by means of the Trojan-horse method applied to the quasifree process 2H(6Li ,p t ) 4He induced at a lithium beam energy of 9.5 MeV, which is closer to the zero-quasifree-energy point. An accurate analysis leads to the determination of the Sbare(0 ) =56.7 ±2.0 keV b and of the corresponding electron screening potential Ue=13.2 ±4.3 eV. In addition, this work gives an updated test for the Trojan-horse nucleus invariance by comparing with previous indirect investigations using the 3He=(d +p ) breakup.

  3. Experimental studies of collisions of excited Li(4p) atoms with C2H4, C2H6, C3H8 and theoretical interpretation of the Li-C2H4 system

    International Nuclear Information System (INIS)

    Collisions of excited Li(4p) states with C2H4, C2H6 and C3H8 are studied experimentally using far-wing scattering state spectroscopy techniques. High-level ab initio quantum mechanical studies of the Li-C2H4 system are conducted to explain the results of the experiment for this system. The recent and present works indicate that knowledge of the internal structure of the perturber (C2H4, C2H6 and C3H8) is essential to fully understand the interaction between the metal and the hydrocarbon molecules. The ab initio calculation shows that the Li(4d) (with little probability under the experimental conditions) and the Li(4p) can be formed directly through the laser pumping. It also shows that the Li(4s) and Li(3d) states can be formed through an electronic diabatic coupling involving a radiationless process. However, the Li(3p), Li(3s) and Li(2p) states can only be formed through a secondary diabatic coupling which is a much less probable process than the primary one. The calculation limited to two C2v sections of the potential energy surfaces (PESs) shows peculiar multi-state crossings that we have never seen in other lithium complexes we studied

  4. 5-[4-(1H-Imidazol-1-ylphenyl]-2H-tetrazole dihydrate

    Directory of Open Access Journals (Sweden)

    Yan-Hua Zhang

    2011-06-01

    Full Text Available In the title compound, C10H8N6·2H2O, the central aromatic ring makes dihedral angles of 23.59 (15 and 16.99 (16° with the terminal imidazole and tetrazole rings, respectively, which are themselves almost coplanar [dihedral angle = 6.61 (18°]. Two H atoms of the two water molecules are half occupied. In the crystal packing, weak intermolecular O—H...N, O—H...O and N—H...N hydrogen bonds and π–π stacking interactions [centroid–centroid distances of 3.73 (4 Å between benzene rings and 3.66 (3 Å between imidazole and tetrazole rings] are observed.

  5. Background considerations for the 2H(7Be,3H)6Be experimental data II: Three-body continuum

    Science.gov (United States)

    Chae, K. Y.; Guimarães, V.

    2015-11-01

    The present article reports second background considerations for the experimentally obtained 2H(7Be,3H)6Be differential cross sections. The one-neutron transfer reaction was measured in inverse kinematics by using radioactive 7Be ( t 1/2 = 53.2 days) beams at the Holifield Radioactive Ion Beam Facility of the Oak Ridge National Laboratory in 2004 in order to search for the resonances in the unbound 6Be nucleus. Resonances in this nucleus would affect the 3He(3He,2 p)4He reaction rate of the proton-proton chain occurring in stars such as our sun. The result shows, however, that the direct transfer to 6Be resonances is not particularly strong compared to other reaction channels that can produce tritons in the exit channels. The goals of the present work is to better understand the cross section data from transfer reaction measurements by adopting background considerations using the three-body continuum.

  6. {sup 18}O, {sup 2}H and {sup 3}H isotopic composition of precipitation and shallow groundwater in Olkiluoto

    Energy Technology Data Exchange (ETDEWEB)

    Hendriksson, N. [Geological Survey of Finland, Espoo (Finland); Karhu, J.; Niinikoski, P. [Univ. of Helsinki (Finland)

    2014-12-15

    The isotopic composition of oxygen and hydrogen in local precipitation is a key parameter in the modelling of local water circulation. This study was initiated in order to provide systematic monthly records of the isotope content of atmospheric precipitation in the Olkiluoto area and to establish the relation between local rainfall and newly formed groundwater. During January 2005 - December 2012, a total of 85 cumulative monthly rainfall samples and 68 shallow groundwater samples were collected and the isotopic composition of oxygen and hydrogen was recorded for all those samples. Tritium values are available for 79 precipitation and 65 groundwater samples. Based on the 8-year monitoring, the long-term weighted annual mean isotope values of precipitation and the mean values of shallow groundwater are -11.59 per mille and -11.27 per mille for δ{sup 18}O, - 82.3 per mille and -80.3 per mille for δ{sup 2}H and 9.8 and 9.1 TU for tritium, respectively. Based on these data, the mean stable isotope ratios of groundwater represent the long-term mean annual isotopic composition of local precipitation. The precipitation data were used to establish the local meteoric water line (LMWL) for the Olkiluoto area. The line is formulated as: δ{sup 2}H = 7.45 star δ{sup 18}O + 3.82. The isotope time series reveal a change in time. The increasing trend for the δ{sup 18}O and δ{sup 2}H values may be related to climatic variability while the gradual decline observed in the {sup 3}H data is attributed to the still continuing decrease in atmospheric {sup 3}H activity in the northern hemisphere. The systematic seasonal and long-term tritium trends suggest that any potential ground-level tritium release from the Olkiluoto nuclear power plants is insignificant. The d-excess values of Olkiluoto precipitation during the summer period indicated that a notable amount of re-cycled Baltic Sea water may have contributed to precipitation in the Finnish southern coast. Preliminary estimates

  7. Structural, vibrational and DFT studies on 2-chloro-1H-isoindole-1,3(2H)-dione and 2-methyl-1H-isoindole-1,3(2H)-dione

    Science.gov (United States)

    Arjunan, V.; Saravanan, I.; Ravindran, P.; Mohan, S.

    2009-10-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of 2-chloro-1H-isoindole-1,3(2H)-dione and 2-methyl-1H-isoindole-1,3(2H)-dione have been measured in the range of 4000-400 and 4000-100 cm -1, respectively. Complete vibrational assignment and analysis of the fundamental modes of the compounds were performed using the observed FTIR and FT-Raman data. The geometry was optimised without any symmetry constraints using the DFT/B3LYP method with 6-31G(d,p) and 6-311++G(d,p) basis sets. The vibrational frequencies determined experimentally are compared with those obtained theoretically from DFT gradient calculations employing the B3LYP/6-31G(d,p) and B3LYP/6-311++G(d,p) methods for the optimised geometry of the compounds. The structural parameters and normal modes of vibration obtained from DFT method are in good agreement with the experimental data. The force fields obtained from DFT method were utilised and the potential energy distributions of all the fundamental vibrations of the compounds were calculated.

  8. New modification of the Perkow reaction: halocarboxylate anions as leaving groups in 3-acyloxyquinoline-2,4(1H,3H)-dione compounds

    Science.gov (United States)

    Paleta, Oldřich; Pomeisl, Karel; Kafka, Stanislav; Klásek, Antonín; Kubelka, Vladislav

    2005-01-01

    Substituted 3-(fluoroacyloxy)quinoline-2,4(1H,3H)-diones including 3-(fluoroiodoacetoxy) derivatives react with triethyl phosphite to afford either the product of the Perkow reaction or the corresponding 4-ethoxyquinolin-2(1H)-one. In both reactions, the fluorocarboxylate anion acts as the first observed leaving group. This observation restricts the application of the intramolecular Horner-Wadsworth-Emmons synthesis to modify quinoline-2,4(1H,3H)-diones by the annulation of fluorinated but-2-enolide rings. PMID:16551375

  9. New modification of the Perkow reaction: halocarboxylate anions as leaving groups in 3-acyloxyquinoline-2,4(1H,3H-dione compounds

    Directory of Open Access Journals (Sweden)

    Klásek Antonín

    2005-12-01

    Full Text Available Abstract Substituted 3-(fluoroacyloxyquinoline-2,4(1H,3H-diones including 3-(fluoroiodoacetoxy derivatives react with triethyl phosphite to afford either the product of the Perkow reaction or the corresponding 4-ethoxyquinolin-2(1H-one. In both reactions, the fluorocarboxylate anion acts as the first observed leaving group. This observation restricts the application of the intramolecular Horner-Wadsworth-Emmons synthesis to modify quinoline-2,4(1H,3H-diones by the annulation of fluorinated but-2-enolide rings.

  10. Fabrication of Indocyanine Green and 2H, 3H-perfluoropentane loaded microbubbles for fluorescence and ultrasound imaging

    Science.gov (United States)

    He, Yutong; Wu, Qiang; Ma, Rong; Chang, Shufang; Shao, Pengfei; Xu, Ronald

    2016-03-01

    As a near-infrared (NIR) fluorescence dye, Indocyanine Green (ICG) has not gained broader clinical applications, owing to its multiple limitations such as concentration-dependent aggregation, low fluorescence quantum yield, poor physicochemical stability and rapid elimination from the body. In the meanwhile, 2H,3H-perfluoropentane (H-PFP) has been widely studied in ultrasound imaging as a vehicle for targeted delivery of contrast agents and drugs. We synthesized a novel dual-modal fluorescence and ultrasound contrast agent by encapsulating ICG and H-PFP in lipid microbubbles using a liquid-driven coaxial flow focusing (LDCFF) process. Uniform microbubbles with the sizes ranging from 1-10um and great ICG loading efficiency was achieved by this method. Our benchtop experiments showed that ICG/H-PFP microbubbles exhibited less aggregation, increased fluorescence intensity and more stable photostability compared to free ICG aqueous solution. Our phantom experiments demonstrated that ICG/H-PFP microbubbles enhanced the imaging contrasts in fluorescence imaging and ultrasonography. Our animal experiments indicated that ICG/H-PFP microbubbles extended the ICG life time and facilitated dual mode fluorescence and ultrasound imaging in vivo.

  11. Effect of salinity on 2H/1H fractionation in lipids from continuous cultures of the coccolithophorid Emiliania huxleyi

    Science.gov (United States)

    Sachs, Julian P.; Maloney, Ashley E.; Gregersen, Josh; Paschall, Christopher

    2016-09-01

    Salinity and temperature dictate the buoyancy of seawater, and by extension, ocean circulation and heat transport. Yet there remain few widely applicable proxies for salinity with the precision necessary to infer all but the largest hydrographic variations in the past. In the last decade the hydrogen isotope composition (2H/1H or δ2H) of microalgal lipids has been shown to increase systematically with salinity, providing a foundation for its use as a paleosalinity proxy. Culture and field studies have indicated a wide range of sensitivities for this response, ranging from about 0.6-3.3‰ ppt-1 depending on the lipid, location and/or culturing conditions. Lacking in these studies has been the controlled conditions necessary to isolate the response to salinity while keeping all other growth parameters constant. Here we show that the hydrogen isotope composition of lipids in the marine coccolithophorid Emiliania huxleyi grown in chemostats increased by 1.6 ± 0.3‰ ppt-1 (p water, (2) the proportion of lipid hydrogen derived from NADPH from Photosystem I versus the oxidative pentose phosphate pathway (and other metabolic sources), or (3) the δ2H value of intracellular water.

  12. Effect of salinity on 2H/1H fractionation in lipids from continuous cultures of the coccolithophorid Emiliania huxleyi

    Science.gov (United States)

    Sachs, Julian P.; Maloney, Ashley E.; Gregersen, Josh; Paschall, Christopher

    2016-09-01

    Salinity and temperature dictate the buoyancy of seawater, and by extension, ocean circulation and heat transport. Yet there remain few widely applicable proxies for salinity with the precision necessary to infer all but the largest hydrographic variations in the past. In the last decade the hydrogen isotope composition (2H/1H or δ2H) of microalgal lipids has been shown to increase systematically with salinity, providing a foundation for its use as a paleosalinity proxy. Culture and field studies have indicated a wide range of sensitivities for this response, ranging from about 0.6-3.3‰ ppt-1 depending on the lipid, location and/or culturing conditions. Lacking in these studies has been the controlled conditions necessary to isolate the response to salinity while keeping all other growth parameters constant. Here we show that the hydrogen isotope composition of lipids in the marine coccolithophorid Emiliania huxleyi grown in chemostats increased by 1.6 ± 0.3‰ ppt-1 (p pentose phosphate pathway (and other metabolic sources), or (3) the δ2H value of intracellular water.

  13. 40 CFR 721.9078 - 6-Methoxy-1H-benz[de]isoquinoline-2 [3H]-dione derivative (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 6-Methoxy-1H-benz isoquinoline-2... New Uses for Specific Chemical Substances § 721.9078 6-Methoxy-1H-benz isoquinoline-2 -dione... substance identified generically as 6-methoxy-1H-benz isoquinoline-2 -dione derivative (PMN P-00-1205)...

  14. Water - Isotope - Map (δ 18O, δ 2H, 3H) of Austria: Applications, Extremes and Trends

    Science.gov (United States)

    Wyhlidal, Stefan; Kralik, Martin; Benischke, Ralf; Leis, Albrecht; Philippitsch, Rudolf

    2016-04-01

    The isotopic ratios of oxygen and hydrogen in water (2H/1H and 18O/16O) are important tools to characterise waters and their cycles. This starts in the atmosphere as rain or snow and continues in surface water and ends in shallow groundwater as well as in deep groundwater. Tritium formed by natural cosmic radiation in the upper atmosphere and in the last century by tests of thermonuclear bombs in the atmosphere, is characterised by its radioactive decay with a half-life of 12.32 years and is an ideal age-marker during the last 60 years. To determine the origin and mean age of waters in many projects concerning water supply, engineering and scientific projects in the last 45 years on more than 1,350 sites, more than 40,000 isotope measurements were performed in Austria. The median value of all sites of oxygen-18 is δ 18O -10.7 ‰ and for hydrogen-2 δ 2H -75 ‰. As the fractionation is mainly temperature dependent the lowest negative values are observed in winter precipitation (oxygen-18 as low as δ 18O -23 ‰) and in springs in the mountain regions (δ 18O -15.1 ‰). In contrast the highest values were observed in summer precipitation (up to δ 18O - 0.5 ‰) and in shallow lakes in the Seewinkel (up to δ 18O + 5 ‰). The isotopic ratios of the Austrian waters are also influenced by the origin of the evaporated water masses. Therefore the precipitation in the region south of the main Alpine crest (East-Tyrol, Carinthia and South-East Styria) is approximately 1 ‰ higher in δ 18O-values than sites at the same altitude in the northern part. This is most probably caused by the stronger influence of precipitation from the mediterranean area. The median value of all 1,120 sampling sites of decay corrected (2015) tritium measurements is 6.2 tritium units (TU). This is somewhat smaller than the median value of all precipitation stations with 7.2 TU. This can be explained by the fact that in most cases in groundwater the median value has been reduced by decay

  15. A facile and convenient approach for the one-pot synthesis of 2,4(1H,3H)-quinazolinediones

    Institute of Scientific and Technical Information of China (English)

    Mahnaz Sharafi-Kolkeshvandi; Farzad Nikpour

    2012-01-01

    A fast and efficient method is described for the one-pot synthesis of 2,4(1H,3H)-quinazolinediones by cyclization reaction of anthranilic acid derivatives with potassium cyanate and acetic acid in PEG.Good to high yields of the products obtain in short reaction times with simple work-up.

  16. Updated evidences of the Trojan Horse particle invariance for $^2$H(d,p)$^3$H reaction

    OpenAIRE

    Pizzone, R. G.; Spitaleri, C.(Dip. di Fisica e Astronomia, Univ. di Catania, via S. Sofia, Catania, Italy); Bertulani, C. A.; Mukhamedzhanov, A. M.; Blokhintsev, L.; M. La Cognata; Lamia, L; Rinollo, A.; Spartá, R.; A. Tumino

    2012-01-01

    The Trojan Horse nucleus invariance for the binary d(d,p)t reaction was tested using the quasi free $^2$H($^6$Li, pt)$^4$He and $^2$H($^3$He,pt)H reactions after $^6$Li and $^3$He break-up, respectively. The astrophysical S(E)-factor for the d(d,p)t binary process was then extracted in the framework of the Plane Wave Approximation applied to the two different break-up schemes. The obtained results are compared with direct data as well as with previous indirect investigations. The very good ag...

  17. Study of leachate contamination in Bantar Gebang landfill to its shallow groundwater using natural isotope tracers of 18O, 2H and 3H

    International Nuclear Information System (INIS)

    Leaching from Bantar Gebang landfill, Jakarta’s main municipal landfill, especially from its two waste water treatment plants (plant A in zone-3 and plant B in Sumur Batu) to underlying aquifer has been studied using isotope techniques. The study was based on the abundances of the heavier isotopes in water molecules namely 18O, 2H (deuterium) and 3H (tritium). Because both water in the waste-water treatment plants and groundwater have undergone different independent physical processes, it was assumed that each water source has its own typical finger-print in term of the abundances of 18O, 2H (deuterium) and 3H (tritium). Leachate from the two waste water treatment plants have higher 2H, 3H activities, and physical parameters (EC, TDS, and pH) values than those of groundwater samples. Because of the age and size of the two waste water treatment plants are significantly different, it was also observed that the isotope contents of plant B, younger age and smaller size, was relatively lower in 2H values and 3H activities compared to those of plant A. These phenomena have been used to identify the leaching from waste-water treatment plants of Bantar Gebang landfill to the underlying aquifer. During the dry season, it was observed that 2H values in leachate were generally higher than those in rainy season. This result might be due to the extensive methane production in the treatment plants. Conversely, 18O-shifting in leachate from local meteoric line indicated that the leachate had experienced evaporation. Buried luminescent paints in the landfill were most likely the source of high tritium activity in leachate. Based on the samples collected from the study area (mostly from dug or bore wells), it was found that the underlying aquifer especially shallow groundwater has been contaminated up to as high as 33% with leachate. (author)

  18. Updated evidences of the Trojan Horse particle invariance for $^2$H(d,p)$^3$H reaction

    CERN Document Server

    Pizzone, R G; Bertulani, C A; Mukhamedzhanov, A M; Blokhintsev, L; La Cognata, M; Lamia, L; Rinollo, A; Spartá, R; Tumino, A

    2012-01-01

    The Trojan Horse nucleus invariance for the binary d(d,p)t reaction was tested using the quasi free $^2$H($^6$Li, pt)$^4$He and $^2$H($^3$He,pt)H reactions after $^6$Li and $^3$He break-up, respectively. The astrophysical S(E)-factor for the d(d,p)t binary process was then extracted in the framework of the Plane Wave Approximation applied to the two different break-up schemes. The obtained results are compared with direct data as well as with previous indirect investigations. The very good agreement confirms the applicability of the Plane Wave Approximation and suggests the independence of binary indirect cross section on the chosen Trojan Horse nucleus also for the present case.

  19. Updated evidence of the Trojan horse particle invariance for the 2H(d,p)3H reaction

    Science.gov (United States)

    Pizzone, R. G.; Spitaleri, C.; Bertulani, C. A.; Mukhamedzhanov, A. M.; Blokhintsev, L.; La Cognata, M.; Lamia, L.; Rinollo, A.; Spartá, R.; Tumino, A.

    2013-02-01

    The Trojan horse nucleus invariance for the binary d(d,p)t reaction was tested by means of an experiment using the quasifree 2H(6Li,pt)4He and 2H(3He,pt)H reactions after 6Li and 3He breakup, respectively. The astrophysical S(E) factor for the d(d,p)t binary process was extracted from the present data in the framework of the plane wave approximation applied to the two different breakup schemes. The obtained results are compared with direct data as well as with previous indirect investigations. The very good agreement confirms the applicability of the plane wave approximation and suggests the independence of the binary indirect cross section on the chosen Trojan horse nucleus also for the present case.

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

    International Nuclear Information System (INIS)

    First principle calculations of electronic and optical properties of monolayer MoS2, so called 1H –MoS2, is performed which has emerged as a new direct band gap semiconductor. Before calculations of the properties of 1H –MoS2, 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 –MoS2 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 –MoS2) and monolayer (1H –MoS2) phases we have further extended these calculations to the single layer MoS2 (1H –MoS2) which is analogous to graphene. Structural parameters of 1H –MoS2 are found very close to its bulk 2H –MoS2. 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.

  1. Iodido[5-methyl-1H-benzimidazole-2(3H-thione-κS]bis(triphenylphosphane-κPcopper(I methanol monosolvate

    Directory of Open Access Journals (Sweden)

    Yu-Han Jiang

    2012-10-01

    Full Text Available In the title compound, [CuI(C8H8N2S(C18H15P2]·CH3OH, the coordination environment around the CuI atom is distorted tetrahedral, defined by two P atoms of two triphenylphosphane ligands, one S atom of a 5-methyl-1H-benzimidazole-2(3H-thione ligand and one I atom. The complex molecules and the methanol solvent molecules are connected via N—H...O and O—H...I hydrogen bonds, forming a chain along [010]. An intramolecular N—H...I hydrogen bond is also observed.

  2. Underestimation of glucose turnover measured with [6-3H]- and [6,6-2H]- but not [6-14C]glucose during hyperinsulinemia in humans

    International Nuclear Information System (INIS)

    Recent studies indicate that hydrogen-labeled glucose tracers underestimate glucose turnover in humans under conditions of high flux. The cause of this underestimation is unknown. To determine whether the error is time-, pool-, model-, or insulin-dependent, glucose turnover was measured simultaneously with [6-3H]-, [6,6-2H2]-, and [6-14C]glucose during a 7-h infusion of either insulin (1 mU.kg-1.min-1) or saline. During the insulin infusion, steady-state glucose turnover measured with both [6-3H]glucose (8.0 +/- 0.5 mg.kg-1.min-1) and [6,6-2H2]glucose (7.6 +/- 0.5 mg.kg-1.min-1) was lower (P less than .01) than either the glucose infusion rate required to maintain euglycemia (9.8 +/- 0.7 mg.kg-1.min-1) or glucose turnover determined with [6-14C]glucose and corrected for Cori cycle activity (9.8 +/- 0.7 mg.kg-1.min-1). Consequently negative glucose production rates (P less than .01) were obtained with either [6-3H]- or [6,6-2H2]- but not [6-14C]glucose. The difference between turnover estimated with [6-3H]glucose and actual glucose disposal (or 14C glucose flux) did not decrease with time and was not dependent on duration of isotope infusion. During saline infusion, estimates of glucose turnover were similar regardless of the glucose tracer used. High-performance liquid chromatography of the radioactive glucose tracer and plasma revealed the presence of a tritiated nonglucose contaminant. Although the contaminant represented only 1.5% of the radioactivity in the [6-3H]glucose infusate, its clearance was 10-fold less (P less than .001) than that of [6-3H]glucose. This resulted in accumulation in plasma, with the contaminant accounting for 16.6 +/- 2.09 and 10.8 +/- 0.9% of what customarily is assumed to be plasma glucose radioactivity during the insulin or saline infusion, respectively (P less than .01)

  3. Heat of Mixing and Solution of Ethanol C2H6O + C3H6O3 Dimethyl carbonate (HMSD1121, LB4328_H)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'heat of Mixing and Solution of Ethanol C2H6O + C3H6O3 Dimethyl carbonate (HMSD1121, LB4328_H)' providing data from direct calorimetric measurement of molar excess enthalpy at variable mole fraction and constant pressure and temperature.

  4. Heat of Mixing and Solution of Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (HMSD1111, LB4314_H)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'heat of Mixing and Solution of Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (HMSD1111, LB4314_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  5. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (VMSD1212, LB5136_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (VMSD1212, LB5136_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  6. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (VMSD1111, LB5133_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (VMSD1111, LB5133_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  7. The distribution of radioactive ( 3H, 14C) and stable ( 2H, 18O) isotopes in precipitation, surface and groundwaters of NW Yugoslavia

    Science.gov (United States)

    Horvatinčić, Nada; Krajcar-Bronić, Ines; Pezdič, Jože; Srdoč, Dušan; Obelić, Bogomil

    1986-11-01

    The isotopic measurements ( 2H, 3H, 18O) of precipitiation in Zagreb (since 1976) and Ljubljana (since 1981) in NW Yugoslavia show seasonal variations typical of the Northern hemisphere. Continuous measurements of tritium concentration in the Sava River ca 10 km upstream from Zagreb have been performed since 1976. Data show a smooth line without periodical changes, but a steady decrease is obvious. The sampling place is situated ca 30 km downstream from the Kr\\vsko Nuclear Power Plant. No change in tritium concentration due to the operation of the power plant has been observed. A comprehensive program of monitoring of the 14C activity in air CO 2 as well as in vegetables, cereals and tree-rings in the surroundings of the Nuclear Power Plant Kr\\vsko has been carried out since 1984. The measurement of 2H and 18O in karst springs of the Korana River catchmet area (Plitvice National Park) gave a meteoric water line equal to δ2H = 7.9 δ18O + 8.5, which is typical of the NW part of Yugoslavia. A fairly constant concentration of 2H and 18O in spring water indicates a thorough mixing of water in the karst aquifers. The mean residence time (MRT) of karst water was determined by measuring monthly tritium activity of spring water. The MRT is very short, ranging between 1 and 4 years on average.

  8. Synthesis and Crystal Structure of 1-(4-Nitrobenzyl-3-allyl-1H-benzo[d]imidazol-2(3H-one

    Directory of Open Access Journals (Sweden)

    Dounia Belaziz

    2013-01-01

    Full Text Available A functionalized benzimidazole, 1-(4-nitrobenzyl-3-allyl-1H-benzo[d]imidazol-2(3H-one, has been synthesized, and the crystal structure was determined and analyzed. This compound crystallizes in the monoclinic, space group P21/n (number 14 c with cell parameters, a=7.12148(8 Å, b=16.12035(17 Å, c=13.04169(17 Å, β=93.3043(11, V=1494.71(3 Å3, and Dcalc = 1.375 g/mm3. The solid state geometry is stabilized by intermolecular π–π interactions along with the van der Waals interactions which contribute to the stability of the crystal packing. Computational calculations have been used to properly understand the main intermolecular interactions present in the crystal.

  9. Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Kurten, T.; Enghoff, Martin Andreas Bødker;

    2011-01-01

    that anionic O-2(-)(H2O)n and O-3(-)(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding....... Although clustering up to 12 H2O, we find that the O-2 and O-3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O-2(-) and O-3(-) speicies are thus accessible for further reactions. We consider the distributions of cluster sizes as function of altitude before...

  10. Chlorido[5-methoxy-1H-benzimidazole-2(3H-thione-κS]bis(triphenylphosphane-κPcopper(I methanol disolvate

    Directory of Open Access Journals (Sweden)

    Qing-Xuan Meng

    2014-02-01

    Full Text Available In the title complex, [CuCl(C8H8N2OS(C18H15P2]·2CH3OH, the CuI ion is coordinated by one chloride anion, one S atom from the 5-methoxy-1H-benzimidazole-2(3H-thione ligand and two P atoms from two triphenylphosphine ligands in a distorted tetrahedral geometry. One of the N-bound H atoms is involved in an intramolecular N—H...Cl hydrogen bond, while another one interacts with the solvent methanol molecule via an N—H...O hydrogen bond. Intermolecular O—H...Cl and O—H...O hydrogen bonds link two further complex molecules and four solvent molecules into a centrosymmetric structural unit. The short distance of 3.624 (4 Å between the centroids of the five- and the six-membered rings of two benzimidazole fragments indicates the presence of π–π interactions.

  11. Study of the A(e,e'$\\pi^+$) Reaction on $^1$H, $^2$H, $^{12}$C, $^{27}$Al, $^{63}$Cu and $^{197}$Au

    Energy Technology Data Exchange (ETDEWEB)

    Qian, X; Clasie, B; Arrington, J; Asaturyan, R; Benmokhtar, F; Boeglin, W; Bosted, P; Bruell, A; Christy, M E; Chudakov, E; Dalton, M M; Daniel, A; Day, D; Dutta, D; El Fassi, L; Ent, R; Fenker, H C; Ferrer, J; Fomin, N; Gao, H; Garrow, K; Gaskell, D; Gray, C; Huber, G M; Jones, M K; Kalantarians, N; Keppel, C E; Kramer, K; Li, Y; Liang, Y; Lung, A F; Malace, S; Markowitz, P; Matsumura, A; Meekins, D G; Mertens, T; Miyoshi, T; Mkrtchyan, H; Monson, R; Navasardyan, T; Niculescu, G; Niculescu, I; Okayasu, Y; Opper, A K; Perdrisat, C; Punjabi, V; Rauf, A W; Rodriquez, V M; Rohe, D; Seely, J; Segbefia, E; Smith, G R; Sumihama, M; Tadevosyan, V; Tang, L; Villano, A; Vulcan, W F; Wesselmann, F R; Wood, S A; Yuan, L; Zheng, X

    2010-05-01

    Cross sections for the p($e,e'\\pi^{+}$)n process on $^1$H, $^2$H, $^{12}$C, $^{27}$Al, $^{63}$Cu and $^{197}$Au targets were measured at the Thomas Jefferson National Accelerator Facility (Jefferson Lab) in order to extract the nuclear transparencies. Data were taken for four-momentum transfers ranging from $Q^2$=1.1 to 4.8 GeV$^2$ for a fixed center of mass energy of $W$=2.14 GeV. The ratio of $\\sigma_L$ and $\\sigma_T$ was extracted from the measured cross sections for $^1$H, $^2$H, $^{12}$C and $^{63}$Cu targets at $Q^2$ = 2.15 and 4.0 GeV$^2$ allowing for additional studies of the reaction mechanism. The experimental setup and the analysis of the data are described in detail including systematic studies needed to obtain the results. The results for the nuclear transparency and the differential cross sections as a function of the pion momentum at the different values of $Q^2$ are presented. Global features of the data are discussed and the data are compared with the results of model calculations for the p($e,e'\\pi^{+}$)n reaction from nuclear targets.

  12. Synthesis, cytotoxic activity, and tubulin polymerization inhibitory activity of new pyrrol-2(3H)-ones and pyridazin-3(2H)-ones.

    Science.gov (United States)

    Abbas, Samar Hafez; Abuo-Rahma, Gamal El-Din A A; Abdel-Aziz, Mohamed; Aly, Omar M; Beshr, Eman A; Gamal-Eldeen, Amira M

    2016-06-01

    A series of new pyrrol-2(3H)-ones 4a-f and pyridazin-3(2H)-ones 7a-f were synthesized and characterized using different spectroscopic tools. Some of the tested compounds revealed moderate activity against 60 cell lines. The E form of the pyrrolones 4 showed good cytotoxic activity than both the Z form and the corresponding open amide form. Furthermore, the in vitro cytotoxic activity against HepG2 and MCF-7 cell lines revealed that compounds (E)4b, 6f and 7f showed good cytotoxic activity against HepG2 with IC50 values of 11.47, 7.11 and 14.80μM, respectively. Compounds (E)4b, 6f, 7d and 7f showed a pronounced inhibitory effect against cellular localization of tubulin. Flow cytometric analysis indicated that HepG2 cells treated with (E)4b showed a predominated growth arrest at the S-phase compared to that of G2/M-phase. Molecular modeling study using MOE® program indicated that most of the target compounds showed good binding of β-subunit of tubulin with the binding free energy (dG) values about -10kcal/mole.

  13. Integration of the barley genetic and seed proteome maps for chromosome 1H, 2H, 3H, 5H and 7H

    DEFF Research Database (Denmark)

    Finnie, Christine; Bagge, Merethe; Steenholdt, Torben;

    2009-01-01

    spectrometry showed that some spot variations were caused by amino acid differences encoded by single nucleotide polymorphisms (SNPs). Coding SNPs were validated by mass spectrometry, expressed sequence tag and 2D gel data. Coding SNPs can alter function of affected proteins and may thus represent a link...... between cultivar traits, proteome and genome. Proteome analysis of doubled haploid lines derived from a cross between a malting (Scarlett) and a feed cultivar (Meltan) enabled genetic localisation of protein phenotypes represented by 48 spot variations, involving e.g. peroxidases, serpins, alpha...

  14. Synthesis of 1-[6-Fluoro-(2S)-3H,4H-dihydro-2H-2-chromenyl]-(1R)-1,2- ethanediol and 1-[6-Fluoro-(2R)-3H,4H-dihydro-2H-2-chromenyl]- (1R)-1,2-ethanediol

    Institute of Scientific and Technical Information of China (English)

    YU,An-Guang; WANG,Nai-Xing; ZHANG,Jun-Ping; YANG,Yun-Xu; WANG,Wu-Wei; SHENG,Rui-Long

    2004-01-01

    @@ Benzopyran compounds possess diverse pharmacological properties such as β-blockade, anticonvulsant and antimicrobial.[1,2] Our interest has been focused on the synthesis of 1-[6-Fluoro-2S]-3H,4H-dihydro-2H-2-chromenyl]-(1R)-1,2-ethanediol (6) and 1-[6-fluoro-(2R)-3H,4H-dihydro-2H-2-chromenyl]-(1R)-1,2-ethanediol (7) which are particularly convenient precursor to (S,R,R,R)-NE (8). 8 containing four asymmetrical carbon atoms was reported to be the most active isomer.[3] Chandrasekhar[4] has reported on the synthesis of 8. The key step to synthesize this compound is to obtain the chiral chromanone 6 and 7. 6 was accomplished in 8 steps by the Clasien rearrangement and a one-pot Sharpless asymmetric epoxidation, but the compound 7 was accomplished in 10 steps. Johannes[5] used Zr-catalytic kinetic resolution of allylic ethers and Mo-catalyzed chromene formation to synthesize 8 in 14 steps. However both of the methods request many synthetic steps and expensive reagents.

  15. Spin–spin coupling in the HD molecule determined from {sup 1}H and {sup 2}H NMR experiments in the gas-phase

    Energy Technology Data Exchange (ETDEWEB)

    Garbacz, Piotr, E-mail: pgarbacz@chem.uw.edu.pl

    2014-10-31

    Highlights: • The spin–spin coupling constant of the HD molecule is equal to 43.136(7) Hz at 300 K. • Peak-to-peak separations between HD multiplet peaks, J{sub eff}, are smaller than J (D, H). • Nuclear relaxation and intermolecular interactions have an influence on J{sub eff}. • J{sub eff} determined from the {sup 1}H NMR spectrum is smaller than from the {sup 2}H NMR spectrum. - Abstract: The indirect spin–spin coupling of hydrogen deuteride, J(D, H), was determined from a series of {sup 1}H and {sup 2}H NMR spectra acquired at various densities of gaseous solvents (He, Ar, CO{sub 2}, and N{sub 2}O). The analysis of these spectra shows that accurate determination of J(D, H) from this experimental data requires careful examination of the effects of nuclear relaxation and of HD–solvent gas interactions on hydrogen deuteride line shapes. Particularly, it was found that the first-order corrections of the peak-to-peak separations between HD multiplet peaks due to weak van der Waals interactions are proportional to solvent gas density, while these corrections for nuclear relaxation of the proton and the deuteron are proportional to the second power of the inverse of the gas density. Analysis of the data indicates that J(D, H), obtained by correcting for the effects of nuclear relaxation and intermolecular interactions, is 43.136(7) Hz at 300 K.

  16. Radical Rearrangement Catalysis in an Enzyme at 190-207 K: Mechanistic Features Revealed by Substrate ^1H/^2H Isotope Effects

    Science.gov (United States)

    Zhu, Chen; Warncke, Kurt

    2009-11-01

    The decay kinetics of both the natural abundance and [1,1,2,2-^2H4]-aminoethanol generated Co^II-substrate radical pair catalytic intermediate in ethanolamine ammonia-lyase (EAL) from Salmonella typhimrium have been measured by using time-resolved, full-spectrum X-band continuous-wave electron paramagnetic resonance (EPR) spectroscopy in frozen aqueous solution from 190 to 207 K. The decay reaction proceeds through sequential radical covalent rearrangement and hydrogen atom transfer (HT) steps. In the temperature range from 190 to 207 K, the decay is biexponential, and the two phases correspond to distinct populations [1]. The ^1H/^2H isotope effects (IE) on the fast phase and slow phase are 1.3 and 0.8, respectively. These IE are not caused by a primary kinetic IE. Therefore, HT is rapid, relative to rearrangement. We propose that the fast phase is rate-determined by the rearrangement step, and that the slow phase is rate-determined by a step after rearrangement that is associated with protein guidance of the reactions. The results reveal microscopic features of the core reaction chemistry and protein dynamics participation in the reaction, which are not accessible at ambient temperatures.[4pt] [1] Zhu, C., Warncke, K. Biophys. J. 95, 5890 (2008). Supported by grant DK54514 from NIDDK/NIH.

  17. SMALL CARBONACEOUS MOLECULES, ETHYLENE OXIDE (c-C2H4O) AND CYCLOPROPENYLIDENE (c-C3H2): SOURCES OF THE UNIDENTIFIED INFRARED BANDS?

    International Nuclear Information System (INIS)

    We suggest that small carbonaceous molecules (SCMs) may be the sources of the unidentified infrared bands (UIRs) and the underlying continuum. We show that the IR spectroscopy of ethylene oxide (EO, c-C2H4O) and cyclopropenylidene (CP, c-C3H2) closely correlates with the major UIR bands at 3.3, 6.2, 7.7, 8.6, and 11.2 μm, the often seen strong bands at 12.7 and 16.4 μm, as well as many minor features. The differences in band locations and shapes between laboratory EO absorption spectra and astrophysical UIR emission spectra are attributed to vibrational anharmonicity, Fermi resonance splitting of nearly degenerate vibration levels, and rotational envelope narrowing due to the low temperatures in space. The excitation mechanism is absorption of UV radiation, primarily Lyα, by SCMs. Photon trapping for this very optically thick transition enhances the absorption by several orders of magnitude. Our abundance analysis for NGC 7027 reveals that the SCM abundance, relative to H2, is ∼3 x 10-9 which compares well to radio measurements of the CP abundance range of ∼10-9-10-7. The origin of the UIR continuum is discussed in terms of emission from vibrationally and rotationally hot SCM UV photodissociation products and UV excitation of rotationally hot SCM species. Radio lines of CP have been seen in numerous astronomical objects, most displaying the UIR bands. EO is also seen, but in fewer objects, none displaying the UIR bands. We theorize that in UIR objects, EO is formed on, and primarily resides on, carbonaceous grains, precluding radio detection of rotational lines. We suggest laboratory experiments, astronomical observations, and theoretical investigations to further evaluate the SCM mechanism for the UIR bands and continuum.

  18. Tracing bacterial metabolism using multi-nuclear (1H, 2H, and 13C) Solid State NMR: Realizing an Idea Initiated by James Scott

    Science.gov (United States)

    Cody, G.; Fogel, M. L.; Jin, K.; Griffen, P.; Steele, A.; Wang, Y.

    2011-12-01

    Approximately 6 years ago, while at the Geophysical Laboratory, James Scott became interested in the application of Solid State Nuclear Magnetic Resonance Spectroscopy to study bacterial metabolism. As often happens, other experiments intervened and the NMR experiments were not pursued. We have revisited Jame's question and find that using a multi-nuclear approach (1H, 2H, and 13C Solid State NMR) on laboratory cell culture has some distinct advantages. Our experiments involved batch cultures of E. coli (MG1655) harvested at stationary phase. In all experiments the growth medium consisted of MOPS medium for enterobacteria, where the substrate is glucose. In one set of experiments, 10 % of the water was D2O; in another 10 % of the glucose was per-deuterated. The control experiment used both water and glucose at natural isotopic abundance. A kill control of dead E. coli immersed in pure D2O for an extended period exhibited no deuterium incorporation. In both deuterium enriched experiments, considerable incorporation of deuterium into E. coli's biomolecular constituents was detected via 2H Solid State NMR. In the case of the D2O enriched experiment, 58 % of the incorporated deuterium is observed in a sharp peak at a frequency of 0.31 ppm, consistent with D incorporation in the cell membrane lipids, the remainder is observed in a broad peak at a higher frequency (centered at 5.4 ppm, but spanning out to beyond 10 ppm) that is consistent with D incorporation into predominantly DNA and RNA. In the case of the D-glucose experiments, 61 % of the deuterium is observed in a sharp resonance peak at 0.34 ppm, also consistent with D incorporation into membrane lipids, the remainder of the D is observed at a broad resonance peak centered at 4.3 ppm, consistent with D enrichment in glycogen. Deuterium abundance in the E. coli cells grown in 10 % D2O is nearly 2X greater than that grown with 10 % D-glucose. Very subtle differences are observed in both the 1H and 13C solid

  19. Spectral characterization, molecular modeling and antimicrobial studies on hydrazone metal complexes of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)dione and S-methyl dithiocarbazate.

    Science.gov (United States)

    Taha, Ali; Emara, Adel A A; Mashaly, Mahmoud M; Adly, Omima M I

    2014-09-15

    Metal complexes of copper(II), nickel(II), cobalt(II), oxovanadium(IV), chromium(III) and cadmium(II) with a new bridged ONS dibasic tridentate hydrazone (H2L) derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with S-methyl dithiocarbazate have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, spectral (infrared, electronic, mass, 1H NMR and ESR) studies as well as thermal gravimetric analysis (TGA). The synthesized complexes have dimeric structures with the general formula [ML(NO3)m(H2O)x]2·nH2O·zMeOH, L=dianion of the hydrazone, m=0-1, x=0-2, n=0-4 and z=0-1. The metal complexes exhibited square planar, tetrahedral and octahedral geometrical arrangements, the molar conductivity data indicates that all complexes are neutral. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition stages of some complexes. Structural parameters of the ligand and its metal complexes have been theoretically computed on the basis of semiempirical PM3 level and the results were correlated with their experimental data. Antibacterial activities of the free ligand and its metal complexes were screened against various organisms.

  20. Intermolecular cycloaddition of nonstabilized azomethine ylides generated from 1,3-thiazolidine-4-carboxylic acids: synthesis of 5,7a-dihydro-1H,3H-pyrrolo[1,2-c]thiazoles

    OpenAIRE

    Cardoso, Ana L.; Kaczor, Agnieszka; Silva, Artur M. S.; Fausto, Rui; Melo, Teresa M.V.D. Pinho e; Gonsalves, António M. D'A Rocha

    2006-01-01

    The 1,3-dipolar cycloaddition of dimethyl acetylenedicarboxylate with nonstabilized azomethine ylides, generated via the decarboxylative condensation of 1,3-thiazolidine-4-carboxylic acids with aldehydes, afforded 5,7a-dihydro-1H,3H-pyrrolo[1,2-c]thiazole derivatives. 2-Substituted-1,3-thiazolidine-4-carboxylic acids led to the stereoselective formation of 5,7a-dihydro-1H,3H-pyrrolo[1,2-c]thiazoles. Quantum-chemistry calculations were carried out allowing the rationalization of the observed s...

  1. Mechanochemical Solvent-Free and Catalyst-Free One-Pot Synthesis of Pyrano[2,3-d]Pyrimidine-2,4(1H,3H-Diones with Quantitative Yields

    Directory of Open Access Journals (Sweden)

    M. Reza Naimi-Jamal

    2009-01-01

    Full Text Available Solvent-free synthesis of pyrano[2,3-d]pyrimidine-2,4(1H,3H-diones by ball-milling and without any catalyst is described. This method provides several advantages such as being environmentally friendly, using a simple workup procedure, and affording high yields.

  2. Um estudo teórico de propriedades moleculares em complexos de hidrogênio trimoleculares C2H4···2HF, C2H2···2HF e C3h6···2HF A theoretical study of molecular properties of C2H4···2HF, C2H2···2HF AND C3H6···2HF trimolecular hydrogen-bonded complexes

    Directory of Open Access Journals (Sweden)

    Boaz G. Oliveira

    2008-01-01

    Full Text Available We present a theoretical study of molecular properties in C2H4···2HF, C2H2···2HF and C3H6···2HF trimolecular hydrogen-bonded complexes. From B3LYP/6-311++G(d,p calculations, the most important structural deformations are related to the C=C (C2H4, C≡C (C2H2, C-C (C3H6 and HF bond lengths. According to the Bader's atoms in molecules and CHELPG calculations, it was identified a tertiary interaction between the fluorine atom of the second hydrofluoric acid molecule and hydrogen atoms of the ethylene and acetylene within the C2H4···2HF and C2H2···2HF complexes, respectively. Additionally, the evaluation of the infrared spectrum characterized the new vibrational modes and bathochromic effect of the HF molecules.

  3. Synthesis and Crystal Structure of a Mixed Complex[ Cu(1, 10-phen)(CH2(COO)2)(H2O)]2·3H2O%混配配合物[Cu(1,10-phen)(CH2(COO)2)(H2O)]2·3H2O的合成和晶体结构

    Institute of Scientific and Technical Information of China (English)

    孙绍发; 吴鸣虎; 曾卉一

    2003-01-01

    Blue block crystals of [ Cu( 1,10 - phen) ( CH2 ( COO)2 ) (H2O) ]2· 3H2O were obtained at room temperature over a period from the filtrate which was resulted from the addition of a alcohol solution of 1,10- philolin into the filtered resultant of the reaction of basic cupric carbonate with aqueous propanioic acid.Single - crystal X - ray diffraction analysis indicates that it crystallizes in a triclinic system with space group P1(No.2), α = 11.560(2),b = 11.750(2),c = 12.510(3) A,α =92.13(3)°,β= 105.50(3)°,γ=109.30(3)°, v = 1530.6(5)A3, z = 2, Mr = 781.66, F(000) = 800, Dc = 1. 696 g/cm3, μ(MoKα) =1.467 mm-1, R = 0.0392, and wR2= 0.0967 for 4560 reflections with I > 2.0σ(I). Each Cu atom is coordinated in a distorted square - pyramid geometry by two N atons of 1,10 - philolin, and two O atoms from two carboxyl group of propanioic acid, and one O atom from a coordination water molecule occupying the apical position with a long Cu - O distance. A dimer [Cu(1,10- phen) (CH2(COO)2) (H2O) ]2 is formed by the inter- molecular hydrogen bonding. The crystal structure is formed by the interconnection of the dimers and crystal water molecules via hydrogen bonding.%在碱式碳酸铜与丙二酸水溶液反应后的滤液中加入1,10-(口菲)啰啉的乙醇溶液,放置获得一种蓝色块状的晶体.X-ray衍射显示为三斜P-1群,α=11.560(2),b=11.750(2),c=12.510(3)A,α=92.13(3)°,β=105.50(3)°,γ=109.30(3)°,v=1530.6(5)A3,z=2,Mr=781.66,F(000)=800,Dc=1.696g/cm3,μ(M0Kα)=1.467mm-1,R=0.0392.二聚体[Cu(1,10-phen)(CH2(COO)2)(H2O)]2是通过分子间的氢键形成的.

  4. Narcissus tazetta lectin shows strong inhibitory effects against respiratory syncytial virus, influenza A (H1N1, H3N2, H5N1) and B viruses

    Indian Academy of Sciences (India)

    Linda S M Ooi; Wing-Shan Ho; Karry L K Ngai; Li Tian; Paul K S Chan; Samuel S M Sun; Vincent E C Ooi

    2010-03-01

    Amannose-binding lectin (Narcissus tazetta lectin [NTL]) with potent antiviral activity was isolated and purified from the bulbs of the Chinese daffodil Narcissus tazetta var. chinensis, using ion exchange chromatography on diethylaminoethyl (DEAE)-cellulose, affinity chromatography on mannose–agarose and fast protein liquid chromatography (FPLC)-gel filtration on Superose 12. The purified lectin was shown to have an apparent molecular mass of 26 kDa by gel filtration and 13 kDa by SDS–PAGE, indicating that it is probably a dimer with two identical subunits. The cDNA-derived amino acid sequence of NTL as determined by molecular cloning also reveals that NTL protein contains a mature polypeptide consisting of 105 amino acids and a C-terminal peptide extension. Three-dimensional modelling study demonstrated that the NTL primary polypeptide contains three subdomains, each with a conserved mannose-binding site. It shows a high homology of about 60%–80% similarity with the existing monocot mannose-binding lectins. NTL could significantly inhibit plaque formation by the human respiratory syncytial virus (RSV) with an IC50 of 2.30 g/ml and exhibit strong antiviral properties against influenza A (H1N1, H3N2, H5N1) and influenza B viruses with IC50 values ranging from 0.20 g/ml to 1.33 g/ml in a dose-dependent manner. It is worth noting that the modes of antiviral action of NTL against RSV and influenza A virus are significantly different. NTL is effective in the inhibition of RSV during the whole viral infection cycle, but the antiviral activity of NTL is mainly expressed at the early stage of the viral cycle of influenza A (H1N1) virus. NTL with a high selective index (SI=CC50/IC50 ≥ 141) resulting from its potent antiviral activity and low cytotoxicity demonstrates a potential for biotechnological development as an antiviral agent.

  5. Acid-Mediated N-H/α,β-C(sp(3))-H Trifunctionalization of Pyrrolidine: Intermolecular [3 + 2] Cycloaddition for the Construction of 2,3-Dihydro-1H-Pyrrolizine Derivatives.

    Science.gov (United States)

    Zheng, Kai-Lu; Shu, Wen-Ming; Ma, Jun-Rui; Wu, Yan-Dong; Wu, An-Xin

    2016-08-01

    A one-pot acid-mediated reaction has been developed for the N-H/α,β-C(sp(3))-H trifunctionalization of pyrrolidine without any metallic reagents or external oxidants. This reaction involves the intermolecular [3 + 2] cycloaddition of in situ-generated azomethine ylides with acrylic esters to provide facile access to 2,3-dihydro-1H-pyrrolizine derivatives in high yields under mild conditions. PMID:27396906

  6. Characterization of protein/ligand interactions by 1H/3H exchange: application to the hAsf1/ histone H3 complex

    International Nuclear Information System (INIS)

    In the first chapter will be exposed the main current methods of identification to high debit of the interactions protein-protein. Then the methods allowing to characterize the surfaces of interaction or to determine the structures of the complexes will be listed by discussing the main advantages and the inconveniences. Our approach of characterization of the zones of interaction protein-protein is a method of 'foot-printing' 1, based on the identification and radicals' quantification formed on the residues of proteins accessible to the water. The second chapter will so discuss the development of this method of radical identification using the atom of tritium as radioactive label. Our approach will finally be validated in the third chapter by applying it to the characterization of amino acids involved in the interaction enter the human protein anti silencing factor 1 (hAsf11-156) and a fragment of the histone H3. (N.C.)

  7. In Vitro evaluation of antifungal activity of Bioactive Compound 2H-FURO [2,3-H]-1-Benzopyran-2-one against seed borne fungi of maize

    Directory of Open Access Journals (Sweden)

    B. Kiran

    2012-03-01

    Full Text Available Antifungal activity of bioactive compound 2HFuro[ 2,3-H]-1-benzopyran-2-one recorded a significant activity at 100-1000 ppm concentration against all the ten Aspergillus species tested. A. flavus recorded complete inhibition at 100 ppm concentration, A. niger at 500 ppm, A. fumigates at 600 ppm, A. flavus oryzae and A. flavus columnaris at 700 ppm respectively. A. ochraceous and A. flavipes recorded complete inhibition at 900 ppm concentration. Compared to synthetic fungicide Captan and Thiram at 2000ppm concentration. Minimum Inhibitory Concentration (MIC of bioactive compound was in the range of 100- 900ppm concentration against all the test fungi.

  8. Both water source and atmospheric water impact leaf wax n-alkane 2H/1H values of hydroponically grown angiosperm trees

    Science.gov (United States)

    Tipple, B. J.; Berke, M. A.; Hambach, B.; Roden, J. S.; Ehleringer, J. R.

    2013-12-01

    The extent to which both water source and leaf water 2H-enrichment affect the δ2H values of terrestrial plant leaf waxes is an area of active research as ecologists seek a mechanistic understanding of the environmental determinants of leaf wax isotope values before applying δ2H values of leaf waxes to reconstruct past hydrologic conditions. To elucidate the effects of both water source and atmospheric water vapor on δ2H values of leaf waxes for broad-leaved angiosperms, we analyzed hydrogen isotope ratios of high-molecular weight n-alkanes from two tree species that were grown throughout the spring and summer (five months) in a hydroponic system under controlled atmospheric conditions. Here, 12 subpopulations each of Populus fremontii and Betula occidentalis saplings were grown under one of six source different waters ranging in hydrogen isotope ratio values from -120 to +180 ‰ and under either 40 % or 75 % relative humidity conditions. We found n-alkane δ2H values of both species were linearly related to source water δ2H values with differences in slope associated with differing atmospheric humidity. A Craig-Gordon model was used to predict the δ2H values of leaf water and, by extension, n-alkane δ2H values under the range of growth conditions. The modeled leaf water values were found to be linearly related to observed n-alkane δ2H values with a statistically indistinguishable slope between the high and low humidity treatments. These leaf wax observations support a constant biosynthetic fractionation factor between evaporatively-enriched leaf water and n-alkanes for each species. However, we found the calculated biosynthetic fractionation between modeled leaf-water and n-alkane to be different between the two species. We submit that these dissimilarities were due to model inputs and not differences in the specific-species biochemistry. Nonetheless, these results are significant as they indicated that the δ2H value of atmospheric water vapor and

  9. Synthesis and Electrical and Gas Sensing Properties of Some 5-(Quinolinylmethylene-2-thioxodihydropyrimidine-4,6(1H,5H-dione and 5-(Quinolinylmethylenepyrimidine-2,4,6(1H,3H,5H-trione Derivatives

    Directory of Open Access Journals (Sweden)

    H. Kerim Beker

    2013-01-01

    Full Text Available Eight new 5-(quinolinylmethylenebarbituric acid derivatives were synthesized by the reaction of 1,3-dimethylbarbituric acid and 1,3-diethyl-2-thiobarbituric acid with quinoline-4-carboxaldehydes and several quinoline-2-carboxaldehydes via Knoevenagel condensation. The novel compounds were characterized by 1H NMR, 13C NMR, mass, IR, and UV-visible spectral data and elemental analyses. d.c. and a.c. conduction properties of the compounds were investigated in the frequency range of 40–105 Hz and temperature range 295–440 K. The d.c. results showed an activated conductivity dependence on temperature for all films. Obtained data reveal that a.c. conductivity obeys the relation and exponent is found to decrease by increasing temperature. The analysis of the a.c. conduction data showed that the CBH model is the dominant conduction mechanism for the electron transport in the films. Gas sensing properties of the films for the volatile organic compounds (VOCs were also investigated in the same temperature range. Maximum sensitivity to VOCs was observed at around 360 K for compound 6.

  10. Predicting leaf wax n-alkane 2H/1H ratios: controlled water source and humidity experiments with hydroponically grown trees confirm predictions of Craig-Gordon model.

    Science.gov (United States)

    Tipple, Brett J; Berke, Melissa A; Hambach, Bastian; Roden, John S; Ehleringer, James R

    2015-06-01

    The extent to which both water source and atmospheric humidity affect δ(2)H values of terrestrial plant leaf waxes will affect the interpretations of δ(2)H variation of leaf waxes as a proxy for hydrological conditions. To elucidate the effects of these parameters, we conducted a long-term experiment in which we grew two tree species, Populus fremontii and Betula occidentalis, hydroponically under combinations of six isotopically distinct waters and two different atmospheric humidities. We observed that leaf n-alkane δ(2)H values of both species were linearly related to source water δ(2)H values, but with slope differences associated with differing humidities. When a modified version of the Craig-Gordon model incorporating plant factors was used to predict the δ(2)H values of leaf water, all modelled leaf water values fit the same linear relationship with n-alkane δ(2)H values. These observations suggested a relatively constant biosynthetic fractionation factor between leaf water and n-alkanes. However, our calculations indicated a small difference in the biosynthetic fractionation factor between the two species, consistent with small differences calculated for species in other studies. At present, it remains unclear if these apparent interspecies differences in biosynthetic fractionation reflect species-specific biochemistry or a common biosynthetic fractionation factor with insufficient model parameterization.

  11. Infrared matrix isolation studies of hydrogen bonds involving C-H bonds: CF 3H, (CF 2H) 2O and CF 3OCF 2H with selected bases

    Science.gov (United States)

    Jeng, Mei-Lee H.; Ault, Bruce S.

    1991-06-01

    Hydrogen bonded complexes of fluoroform and fluoromethylethers with halide anions and amines have been isolated at 15 K in argon matrices and characterized by IR spectroscopy. The observed red shifts of the CH stretching mode were significantly less than for analogous alkyne complexes. For a given alkane, the magnitude of shifts for complexes with the halide anions were greater than complexes with neutral amines, consistent with the greater basicity of the halide anions. The perturbed and shifted CH bending mode and its overtone were also observed, as well as perturbations to the CF stretching and bending modes. The spectral evidence tentatively suggests a monodentate hydrogen bond for the (CF 2H) 2O•F - complex, rather than the bidentate structure inferred from ion cyclotron resonance data.

  12. Gas-phase reactions of the bare Th2+ and U2+ ions with small alkanes, CH4, C2H6, and C3H8: experimental and theoretical study of elementary organoactinide chemistry.

    Science.gov (United States)

    Di Santo, Emanuela; Santos, Marta; Michelini, Maria C; Marçalo, Joaquim; Russo, Nino; Gibson, John K

    2011-02-16

    The gas-phase reactions of two dipositive actinide ions, Th(2+) and U(2+), with CH(4), C(2)H(6), and C(3)H(8) were studied by both experiment and theory. Fourier transform ion cyclotron resonance mass spectrometry was employed to study the bimolecular ion-molecule reactions; the potential energy profiles (PEPs) for the reactions, both observed and nonobserved, were computed by density functional theory (DFT). The experiments revealed that Th(2+) reacts with all three alkanes, including CH(4) to produce ThCH(2)(2+), whereas U(2+) reacts with C(2)H(6) and C(3)H(8), with different product distributions than for Th(2+). The comparative reactivities of Th(2+) and U(2+) toward CH(4) are well explained by the computed PEPs. The PEPs for the reactions with C(2)H(6) effectively rationalize the observed reaction products, ThC(2)H(2)(2+) and UC(2)H(4)(2+). For C(3)H(8) several reaction products were experimentally observed; these and additional potential reaction pathways were computed. The DFT results for the reactions with C(3)H(8) are consistent with the observed reactions and the different products observed for Th(2+) and U(2+); however, several exothermic products which emerge from energetically favorable PEPs were not experimentally observed. The comparison between experiment and theory reveals that DFT can effectively exclude unfavorable reaction pathways, due to energetic barriers and/or endothermic products, and can predict energetic differences in similar reaction pathways for different ions. However, and not surprisingly, a simple evaluation of the PEP features is insufficient to reliably exclude energetically favorable pathways. The computed PEPs, which all proceed by insertion, were used to evaluate the relationship between the energetics of the bare Th(2+) and U(2+) ions and the energies for C-H and C-C activation. It was found that the computed energetics for insertion are entirely consistent with the empirical model which relates insertion efficiency to the

  13. Simultaneous Determination of the 2H/1H, 17O/16O, and 18O/16O Isotope Abundance Ratios in Water by Means of Laser Spectrometry

    NARCIS (Netherlands)

    Kerstel, E.R.Th.; Trigt, R. van; Dam, N.J.; Reuss, J.; Meijer, H.A.J.

    1999-01-01

    We demonstrate the first successful application of infrared laser spectrometry to the accurate, simultaneous determination of the relative H-2/H-1, O-17/O-16, and O-18/O-16 isotope abundance ratios in water. The method uses a narrow Line width color center laser to record the direct absorption spect

  14. Identification and correction of spectral contamination in 2H/1H and 18O/16O measured in leaf, stem, and soil water.

    Science.gov (United States)

    Schultz, Natalie M; Griffis, Timothy J; Lee, Xuhui; Baker, John M

    2011-11-15

    Plant water extracts typically contain organic materials that may cause spectral interference when using isotope ratio infrared spectroscopy (IRIS), resulting in errors in the measured isotope ratios. Manufacturers of IRIS instruments have developed post-processing software to identify the degree of contamination in water samples, and potentially correct the isotope ratios of water with known contaminants. Here, the correction method proposed by an IRIS manufacturer, Los Gatos Research, Inc., was employed and the results were compared with those obtained from isotope ratio mass spectrometry (IRMS). Deionized water was spiked with methanol and ethanol to create correction curves for δ(18)O and δ(2)H. The contamination effects of different sample types (leaf, stem, soil) and different species from agricultural fields, grasslands, and forests were compared. The average corrections in leaf samples ranged from 0.35 to 15.73‰ for δ(2)H and 0.28 to 9.27‰ for δ(18)O. The average corrections in stem samples ranged from 1.17 to 13.70‰ for δ(2)H and 0.47 to 7.97‰ for δ(18)O. There was no contamination observed in soil water. Cleaning plant samples with activated charcoal had minimal effects on the degree of spectral contamination, reducing the corrections, by on average, 0.44‰ for δ(2)H and 0.25‰ for δ(18)O. The correction method eliminated the discrepancies between IRMS and IRIS for δ(18)O, and greatly reduced the discrepancies for δ(2)H. The mean differences in isotope ratios between IRMS and the corrected IRIS method were 0.18‰ for δ(18)O, and -3.39‰ for δ(2)H. The inability to create an ethanol correction curve for δ(2)H probably caused the larger discrepancies. We conclude that ethanol and methanol are the primary compounds causing interference in IRIS analyzers, and that each individual analyzer will probably require customized correction curves. PMID:22006400

  15. NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor.

    Science.gov (United States)

    Beria, Italo; Bossi, Roberto T; Brasca, Maria Gabriella; Caruso, Michele; Ceccarelli, Walter; Fachin, Gabriele; Fasolini, Marina; Forte, Barbara; Fiorentini, Francesco; Pesenti, Enrico; Pezzetta, Daniele; Posteri, Helena; Scolaro, Alessandra; Re Depaolini, Stefania; Valsasina, Barbara

    2011-05-15

    As part of our drug discovery effort, we identified and developed 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as PLK1 inhibitors. We now report the optimization of this class that led to the identification of NMS-P937, a potent, selective and orally available PLK1 inhibitor. Also, in order to understand the source of PLK1 selectivity, we determined the crystal structure of PLK1 with NMS-P937. The compound was active in vivo in HCT116 xenograft model after oral administration and is presently in Phase I clinical trials evaluation.

  16. The {sup 3}He(e,e'p){sup 2}H and {sup 4}He(e,e'p){sup 3}H reactions at high momentum transfer

    Energy Technology Data Exchange (ETDEWEB)

    Ford, William P. [Old Dominion University, Norfolk, VA (United States); Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Schiavilla, Rocco [Old Dominion University, Norfolk, VA (United States); Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Van Orden, J. W. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)

    2014-03-01

    We present updated calculations for observables in the processes {sup 3}He(e,e'p){sup 2}H, {sup 4}He(e,e'p){sup 3}H and {sup 4}He(e-vector, e'p-vector){sup 3}H. This update entails the implementation of improved nucleon-nucleon (NN) amplitudes to describe final state interactions (FSI) within a Glauber approximation and includes full spin-isospin dependence in the profile operator. In addition, an optical potential, which has also been updated since previous work, is utilized to treat FSI for the {sup 4}He(e,e'p){sup 3}H and {sup 4}He(e-vector, e'p-vector){sup 3}H reactions. The calculations are compared with experimental data and show good agreement between theory and experiment. Comparisons are made between the various approximations in the Glauber treatment, including model dependence due to the NN scattering amplitudes, rescattering contributions, and spin dependence. We also analyze the validity of the Glauber approximation at the kinematics the data is available, by comparing to the results obtained with the optical potential.

  17. Pd-Catalyzed sequential β-C(sp(3))-H arylation and intramolecular amination of δ-C(sp(2))-H bonds for synthesis of quinolinones via an N,O-bidentate directing group.

    Science.gov (United States)

    Guan, Mingyu; Pang, Yubo; Zhang, Jingyu; Zhao, Yingsheng

    2016-05-19

    The pharmacological importance of 2-quinolinone derivatives is well known. Herein, we developed an effective protocol for the synthesis of 2-quinolinone derivatives by palladium-catalyzed sequential β-C(sp(3))-H arylation and selective intramolecular C(sp(2))-H/N-H amination starting with aryl iodides and carboxylic acids. A novel directing group, glycine dimethylamide, was used in the synthesis. We synthesized various quinolinone derivatives, including 5-substituted quinolinones, which are difficult to obtain using the traditional pathway. The directing group could be easily removed and could be readily transformed into other useful functional groups. PMID:27161570

  18. Supramolecular assembly based on a heteropolyanion: Synthesis and crystal structure of Na3(H2O)6[Al(OH)6Mo6O18]$\\cdot$2H2O

    Indian Academy of Sciences (India)

    Vaddypally Shivaiah; Samar K Das

    2005-05-01

    Synthesis and structural characterization of a polyoxometalate compound Na3(H2O)6 [Al(OH)6Mo6O18]$\\cdot$2H2O (1) have been described. Compound 1 exhibits three-dimensional network structure in the solid state, which is assembled by Anderson-type heteropolyanions, [Al(OH)6Mo6O18]$_n^{3n-}$, as building blocks sharing sodium cations. 1 possesses ``sinuous" channels occupied by supramolecular water dimers as guests. Anderson anions, sodium-coordinated water and crystal water are additionally involved in an intricate hydrogen-bonding network in the crystal of 1.

  19. Synthesis of (3aS,6aR)-1,3-Dibenzyl-tetrahydro- 1H-thieno[3,4-d]-imidazole-2(3H)-one-4-ylidenepentanoic Acid and Characterization of Its Crystal

    Institute of Scientific and Technical Information of China (English)

    袁建莉; 王静梅; 陈芬儿

    2004-01-01

    The intermediate of d-biotin, (3aS,6aR)-1,3-dibenzyltetrahydro-1H-thieno[3,4-d]-imidazole-2(3H)-one-4-ylidenepentanoil acid was synthesized from (3aS,6aR)-1,3-dibenzyltetrahyro4H-thieno[3,4-d]-imidazole-2,4(1H)-dione by using the Grignard reaction. The structure of 3 was characterized by IR, 1H NMR and MS, and the absolute configuration was further confirmed by X-ray crystal structure analysis. Compound 3 crystallizes in monoclinic, space group P21 with a = 11.030(2), b = 7.783(2), c = 12.797(2)A, β = 93.44(1)°, Z = 2, Mr = 422.53 (C24H26N2O3S), V =1096.3(6)A3, μ = 0.177 mm-1, Dc = 1.280 g/cm3, F(000) = 448 and T= 293(2) K. The final R =0.0737 and Rw = 0.1974 for 1009 observed reflections with I >2σ(I).

  20. Monitoring dehydration of the organic-inorganic [(C3H7)4N][SnCl5(H2O)]·2H2O compound using simultaneous thermal and Raman studies

    Science.gov (United States)

    Hajlaoui, S.; Chaabane, I.; Guidara, K.; Bulou, A.

    2016-07-01

    In this work we report the experimental studies of the structural phase transition in the [(C3H7)4N]SnCl5(H2O)]·2H2O compound by differential scanning calorimetric (DSC) and Raman spectroscopic. The X-ray powder diffraction study of the [(C3H7)4N][SnCl5(H2O)]·2H2O sample at room temperature showed that this compound is monoclinic and has P121/c1 space group. Differential scanning calorimetric disclosed two types of phase transitions in the temperature range 356-376 (T1) K and at 393 K (T2) characterized, by a loss of water molecules and probably a reconstruction of new anionic parts after T2 transition. The Raman scattering spectra recorded at various temperatures in the wavenumber range from 100 to 3800 cm- 1 covering the domains of existence of changes in the vicinity of the two phase transitions detected by DSC measurement. A detailed study of the spectral parameters (wave number, reduced intensity and the full width at half maximum) as a function of temperature of a chosen band, associated with (νs(Snsbnd O) + νs(Snsbnd Cl)), based on an order-disorder model allowed us to obtain information relative to the activation energy and correlation length.

  1. Sauna, sweat and science - quantifying the proportion of condensation water versus sweat using a stable water isotope ((2)H/(1)H and (18)O/(16)O) tracer experiment.

    Science.gov (United States)

    Zech, Michael; Bösel, Stefanie; Tuthorn, Mario; Benesch, Marianne; Dubbert, Maren; Cuntz, Matthias; Glaser, Bruno

    2015-01-01

    Most visitors of a sauna appreciate the heat pulse that is perceived when water is poured on the stones of a sauna stove. However, probably only few bathers are aware that this pleasant heat pulse is caused by latent heat being released onto our skin due to condensation of water vapour. In order to quantify the proportion of condensation water versus sweat to dripping water of test persons we conducted sauna experiments using isotopically labelled (δ(18)O and δ(2)H) thrown water as tracer. This allows differentiating between 'pure sweat' and 'condensation water'. Two ways of isotope mass balance calculations were applied and yielded similar results for both water isotopes. Accordingly, condensation contributed considerably to dripping water with mean proportions of 52 ± 12 and 54 ± 7% in a sauna experiment in winter semester 2011/12 and 30 ± 13 and 33 ± 6% in a sauna experiment in winter semester 2012/13, respectively, depending on the way of calculating the isotope mass balance. It can be concluded from the results of our dual isotope labelling sauna experiment that it is not all about sweat in the sauna.

  2. Evaluation of the Sealed-tube Low-temperature Combustion Method for the 13C/12C and 2H/1H Ratio Determinations of Cellulose Nitrate

    Institute of Scientific and Technical Information of China (English)

    AUCOUR A.-M

    2001-01-01

    Traditionalluy+suggested combusion time of 1 h at 550℃ withthe sealed-tube combustion method for deternining the 13C/12C ratio of cellulose nitrate or other nitrogen-containing components could produce large negative deviation up to 1%o.Three types of cellulose are used to ascertain possible causes.The presence of nitrous oxide (N2O) formed during combus tion is most likely responsible for this deviation. Prolongation of the combustion time (at least 5 h at 550℃) and intimate coatact between copper oxide and organic matter can greatly improve the analysis precision and effectively reduce this devi ation to an acceptable level. Regardless of scattered carbon isotope data, hydrogen isotope data are all reproducible within 2‰ when this method is coupled with the high temperaure uranium reduction method. Thus, care should be taken for deternining carbon and nitrogen isotope com,positions of nitrogen-conaining substances using the low temperature sealedtube combustion method.

  3. Characterization of protein/ligand interactions by {sup 1}H/{sup 3}H exchange: application to the hAsf{sup 1}/ histone H{sup 3} complex; Caracterisation des interactions proteine / ligand par echange {sup 1}H/{sup 3}H: application au complexe entre la proteine hAsf{sup 1} et l'histone H{sup 3}

    Energy Technology Data Exchange (ETDEWEB)

    Mousseau, G

    2007-05-15

    In the first chapter will be exposed the main current methods of identification to high debit of the interactions protein-protein. Then the methods allowing to characterize the surfaces of interaction or to determine the structures of the complexes will be listed by discussing the main advantages and the inconveniences. Our approach of characterization of the zones of interaction protein-protein is a method of 'foot-printing' 1, based on the identification and radicals' quantification formed on the residues of proteins accessible to the water. The second chapter will so discuss the development of this method of radical identification using the atom of tritium as radioactive label. Our approach will finally be validated in the third chapter by applying it to the characterization of amino acids involved in the interaction enter the human protein anti silencing factor 1 (hAsf11-156) and a fragment of the histone H{sup 3}. (N.C.)

  4. Synthesis and crystal structure of an organic-inorganic complex [Cu(DMF)3(H2O)2]2[SiMo12O40]·2H2O

    Institute of Scientific and Technical Information of China (English)

    WANG Jingping; DU Xiaodi; DUAN Xianying; NIU Jingyang

    2007-01-01

    The synthesis and crystal structure of an polyoxometalate-based organic-inorganic complex [Cu(DMF)3(H2O)2]2[SiMo12O40]·2H2O (DMF = N, N-dimethyl formamide) is described in this article. It was characterized using elemental analysis, thermal analysis, infrared, ultraviolet, and electron spin resonance spectroscopic studies. The X-ray crystallography analysis showed that the copper centers are pentacoordinated to show the square pyramidal geometry, and the polyanion [SiMo12O40]4- which is semi-coordinated to the copper(Ⅱ) centers prevents the existence of a sixth ligand. In addition, the intracationic hydrogen interaction enhanced the stability of the copper coordination cation.

  5. Synthesis and molecular characterization of 5,5‧-((2,4-dichlorophenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione)

    Science.gov (United States)

    Barakat, Assem; Al-Najjar, Hany J.; Al-Majid, Abdullah Mohammed; Soliman, Saied M.; Mabkhot, Yahia Nasser; Ghabbour, Hazem A.; Fun, Hoong-Kun

    2015-03-01

    A simple, economical, and green approach to the synthesis of 5,5‧-((2,4-dichlorophenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) 4 using a tandem Aldol condensation-Michael addition process in aqueous diethylamine medium was described. The 3D structure of the latter was confirmed by single-crystal X-ray structure determination. The molecular structure of the titled compound was calculated using DFT B3LYP/6-311G(d,p) method. The calculated geometric parameters are in good agreement with the experimental data obtained from our reported X-ay structure. The two pyrimidinetrione rings have C16 and C20 atoms deviated significantly from the ring plane. The electronic spectra of the studied compound have been calculated using the TD-DFT method. The longest wavelength band (257.8 nm, f = 0.0276) occurs due to H → L (86%) transition. The 1H and 13C NMR calculated chemical shifts using GIAO method showed good correlation with the experimental data. The molecular electrostatic potential (MEP) showed that the most reactive sites for electrophilic and nucleophilic attacks are the carbonyl oxygen (O5) and the H21 atoms, respectively. The NBO calculations were performed to predict the natural atomic charges at the different atomic sites and to study the different intramolecular charge transfer (ICT) interactions occurring in the studied system. Interestingly, there is some delocalization of electron densities from the occupied σ-type NBO of the C20sbnd H21 to the unoccupied π∗-NBO of the two adjacent carbonyl groups.

  6. Metal-containing ligands for mixed-metal polymers: novel Cu(II)-Ag(I) mixed-metal coordination polymers generated from [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O and silver(I) salts.

    Science.gov (United States)

    Dong, Y B; Smith, M D; zur Loye, H C

    2000-05-01

    One Cu(II)-containing ligand and two Cu(II)-Ag(I) mixed-metal coordination polymers have been synthesized. [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O (1) was obtained as a molecular complex with two uncoordinated nitrogen donors by the reaction of 2-methylpyrazine-5-carboxylate sodium with CuCl(2).2H2O in water. Compound 1 crystallized in the triclinic space group P1, with a = 10.498(2) A, b = 11.000(2) A, c = 8.1424(16) A, alpha = 98.33(3) degrees, beta = 101.83(3) degrees, gamma = 66.68(3) degrees, and Z = 2. Reactions of 1 with silver(I) salts have been studied. Two Cu(II)-Ag(I) mixed-metal coordination polymers, namely, Ag[Cu(2-methylpyrazine-5-carboxylate)2.(H2O)2](BF4) (2) and Ag[Cu(2-methylpyrazine-5-carboxylate)2.(H2O)2](NO3) (3), have been generated by treating 1 with AgBF4 and AgNO3, respectively. Compound 2 crystallized in the monoclinic space group C2/c, with a = 25.827(5) A, b = 9.6430(19) A, c = 7.4525(15) A, beta = 94.74(3) degrees, and Z = 4. Compound 3 also crystallized in the monoclinic space group C2/c, with a = 25.855(5) A, b = 9.782(2) A, c = 7.1201(14) A, beta = 96.90(3) degrees, and Z = 4. The main structural feature in both 2 and 3 is a zigzag Cu(II)-Ag(I) mixed-metal chain, in which the alternating Cu(II) and Ag(I) centers are linked by 2-methylpyrazine-5-carboxylate spacers. The effect of the nitrate counterion was illustrated by compound 3, in which a novel [Ag+...NO3-] coordination chain has been found which acts as the connector to cross-link the one-dimensional zigzag chains into a three-dimensional network. In addition, an identical interchain O-H...O hydrogen bonding system has been found in both 2 and 3 and has been shown to play a significant role in directing the alignment of the one-dimensional mixed-metal polymer chains in the crystalline state. The magnetic susceptibilities of 2 and 3 were measured and found to follow the Curie law (mu eff = 1.85 for 2 and 1.83 for 3). PMID:11428114

  7. Molecular Modeling Studies of 4,5-Dihydro-1H-pyrazolo[4,3-h] quinazoline Derivatives as Potent CDK2/Cyclin A Inhibitors Using 3D-QSAR and Docking

    Directory of Open Access Journals (Sweden)

    Fa-Jun Song

    2010-09-01

    Full Text Available CDK2/cyclin A has appeared as an attractive drug targets over the years with diverse therapeutic potentials. A computational strategy based on comparative molecular fields analysis (CoMFA and comparative molecular similarity indices analysis (CoMSIA followed by molecular docking studies were performed on a series of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as potent CDK2/cyclin A inhibitors. The CoMFA and CoMSIA models, using 38 molecules in the training set, gave r2cv values of 0.747 and 0.518 and r2 values of 0.970 and 0.934, respectively. 3D contour maps generated by the CoMFA and CoMSIA models were used to identify the key structural requirements responsible for the biological activity. Molecular docking was applied to explore the binding mode between the ligands and the receptor. The information obtained from molecular modeling studies may be helpful to design novel inhibitors of CDK2/cyclin A with desired activity.

  8. Synthesis of opioidmimetics, 3-[H-Dmt-NH(CH(2))(m)]-6-[H-Dmt-NH(CH(2))(n)]-2(1H)-pyrazinones, and studies on structure-activity relationships.

    Science.gov (United States)

    Shiotani, Kimitaka; Miyazaki, Anna; Li, Tingyou; Tsuda, Yuko; Yokoi, Toshio; Ambo, Akihiro; Sasaki, Yusuke; Bryant, Sharon D; Jinsmaa, Yunden; Lazarus, Lawrence H; Okada, Yoshio

    2007-11-01

    Opioidmimetics containing 3-[H-Dmt-NH-(CH(2))(m)]-6-[H-Dmt-NH-(CH(2))(n)]-2(1H)-pyrazinone symmetric (m = n, 1-4) (1 - 4) and asymmetric (m, n = 1 - 4) aliphatic chains (5 - 16) were synthesized using dipeptidyl chloromethylketone intermediates. They had high mu-affinity (K(i)mu = 0.021 - 2.94 nM), delta-affinity (K(i)delta = 1.06 - 152.6 nM), and mu selectivity (K(i)delta/K(i)mu = 14 - 3,126). The opioidmimetics (1 - 16) exhibited mu agonism in proportion to their mu-receptor affinity. delta-Agonism was essentially lacking in the compounds except (4) and (16), and (1) and (2) indicated weak delta antagonism (pA(2) = 6.47 and 6.56, respectively). The data verify that a specific length of aliphatic linker is required between the Dmt pharmacophore and the pyrazinone ring to produce unique mu-opioid receptor ligands.

  9. Electrochromic Type E-Paper Using Poly(1H-Thieno[3,4-d]Imidazol-2(3H-One Derivatives by a Novel Printing Fabrication Process

    Directory of Open Access Journals (Sweden)

    Kirihiro Nakano

    2011-12-01

    Full Text Available In this study, we report poly(1H-thieno[3,4-d]imidazol-2(3H-one (pTIO derivatives for an electrochromic (EC type e-paper and its novel printing fabrication process. pTIO is a kind of conductive polymer (CP s which are known as one of the EC materials. The electrochromism of pTIO is unique, because its color in doped state is almost transparent (pale gray. A transparent state is required to show a white color in a see-through view of an EC type e-paper. An electrochromism of CP has a good memory effect which is applicable for e-paper. The corresponding monomers of CP are able to be polymerized with an electrochemical method, which be made good use of for the fabrication process of e-paper. pTIO derivatives are copolymerized with other pi-conjugated X unit, which adjusts the color of electrochromism. Finally, we fabricated a segment matrix EC display using pTIO derivatives by ink-jet printing.

  10. Interaction Study of an Amorphous Solid Dispersion of Cyclosporin A in Poly-Alpha-Cyclodextrin with Model Membranes by 1H-, 2H-, 31P-NMR and Electron Spin Resonance

    Directory of Open Access Journals (Sweden)

    Jean-Claude Debouzy

    2014-01-01

    Full Text Available The properties of an amorphous solid dispersion of cyclosporine A (ASD prepared with the copolymer alpha cyclodextrin (POLYA and cyclosporine A (CYSP were investigated by 1H-NMR in solution and its membrane interactions were studied by 1H-NMR in small unilamellar vesicles and by 31P 2H NMR in phospholipidic dispersions of DMPC (dimyristoylphosphatidylcholine in comparison with those of POLYA and CYSP alone. 1H-NMR chemical shift variations showed that CYSP really interacts with POLYA, with possible adduct formation, dispersion in the solid matrix of the POLYA, and also complex formation. A coarse approach to the latter mechanism was tested using the continuous variations method, indicating an apparent 1 : 1 stoichiometry. Calculations gave an apparent association constant of log Ka = 4.5. A study of the interactions with phospholipidic dispersions of DMPC showed that only limited interactions occurred at the polar head group level (31P. Conversely, by comparison with the expected chain rigidification induced by CYSP, POLYA induced an increase in the fluidity of the layer while ASD formation led to these effects almost being overcome at 298 K. At higher temperature, while the effect of CYSP seems to vanish, a resulting global increase in chain fluidity was found in the presence of ASD.

  11. Characterization, molecular modeling and antimicrobial activity of metal complexes of tridentate Schiff base derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and 2-aminophenol.

    Science.gov (United States)

    Adly, Omima M I

    2012-09-01

    Metal complexes of Ni(II), Co(II), Cd(II), VO(IV) and UO(2)(VI) as well as several Cu(II) salts, including Cl(-),NO(3)(-),AcO(-),ClO(4)(-) and SO(4)(-2) with a tridentate O(2)N donor Schiff base ligand (H(2)L), synthesized by condensation of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with 2-aminophenol, were prepared and characterized on the basis of elemental analyses, spectral, magnetic, molar conductance and thermal gravimetric analysis. Square planar, tetrahedral and octahedral geometries have been assigned to the prepared complexes. Molecular parameters of the ligand and its metal complexes have been calculated and correlated with the experimental data, and the changes of bond lengths are linearly correlated with IR data. The antimicrobial activities of the synthesized compounds were tested in vitro against the sensitive organisms Staphylococcus aureus as Gram positive bacteria, Proteus vulgaris as Gram negative bacteria and Candida albicans as fungus strain, and the results are discussed.

  12. CH4、CO2及CH4+C2H6+C3H8在纯水、SDS水溶液和含石英砂体系中水合物相平衡条件的测定%Measurements of Hydrate Equilibrium Conditions for CH4, CO2, and CH4+ C2H6 + C3H8 in Various Systems by Step-heating Method

    Institute of Scientific and Technical Information of China (English)

    陈立涛; 孙长宇; 陈光进; 聂运强; 孙占松; 刘延涛

    2009-01-01

    Phase equilibrium conditions of gas hydrate in several systems were measured by the step-heating method using the cylindrical transparent sapphire cell device. The experimental data for pure CH4or CO2 + deion-ized water systems showed good agreement with those in the literatures. This kind of method was then applied to CH4/CO2 + sodium dodecyl sulfate (SDS) aqueous solution, CH4/CO2+SDS aqueous solution+silica sand, and (CH4+C2H6+C3H8) gas mixture+SDS aqueous solution systems, where SDS was added to increase the hydrate formation rate without evident influence on the equilibrium conditions. The feasibility and reliability of the step-heating method, especially for porous media systems and gas mixtures systems were determined. The experimental data for CO2+silica sand data shows that the equilibrium pressure will change significantly when the particle size of silica sand is less than 96 μm. The formation equilibrium pressure was also measured by the reformation of hydrate.

  13. Synthesis, molecular modeling, thermal and spectral studies of metal complexes of hydrazone derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and thiosemicarbazide.

    Science.gov (United States)

    Adly, Omima M I

    2011-09-01

    Metal complexes with the general formula [ML(H2O)(CH3OH)x]·nH2O·(CH3OH)y(NO3)z [M=Cu(II), Ni(II), Co(II), VO(IV), Cr(III), Cd(II), Zn(II) or UO2(VI); x=0-2; y=0,1; z=0,1; n=0-2, 6 and L=hydrazone (H2L) derived from condensation of thiosemicarbazide with 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione. The synthesized ligand and its metal complexes have been characterized on the basis of elemental analyses, spectral and magnetic studies as well as thermal gravimetric analysis (TGA). The deprotonated ligand acts as a dibasic tridentate (ONS) via phenolate oxygen, azomethine (CN), and thiolate (C-S) groups. Copper(II) complex exhibits square planar geometry. Nickel(II), chromium(III) and dioxouranium(VI) complexes exhibit octahedral geometry. Cobalt(II), cadmium(II) and zinc(II) complexes showed tetrahedral geometry, whereas oxovanadium(IV) reveals square pyramidal geometry. Thermal analysis are investigated and showed either three or four thermal decomposition steps. Kinetic parameters (Ea, A, ΔH, ΔS and ΔG) of the thermal decomposition stages have been evaluated using Coats-Redfern equations. The molecular parameters of the ligand and its metal complexes have been calculated and correlated with the experimental data such as IR and TGA results.

  14. Spectroscopic and structural studies of new mononucleating tetradentate Schiff base metal chelates derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and 1,3-diaminopropane

    Science.gov (United States)

    Adly, Omima M. I.; Taha, Ali; Fahmy, Shery A.

    2015-08-01

    Metal complexes with the general formula Some newly transition metal complexes, [ML(H2O)x(NO3)y], x = 1-2 and y = 0-1, [M = Cr(III), Fe(III), Co(II), Ni(II), Cu(II), Ce(III), Cd(II), Zn(II) or UO2(VI)], L= of the Schiff base (H2L) derived from the reaction of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with 1,3-diaminopropane have been prepared and characterized by physical, spectral and analytical data. The structure of the Schiff - base acts as dibasic tetradentate N2O2 for the complexation reaction with Cr(III), Fe(III), Co(II), Cu(II), Ni(II), Ce(III), Cd(II), and UO2(II) ions via phenolates oxygen and nitrogen of azomethine groups. Based on spectral data and magnetic moments, an octahedral geometry may be proposed for the synthesized complexes except cerium(III) complex which has pentagonal bipyramidal arrangement. The low values of the molar conductance indicate non-electrolyte nature of complexes, while 1:1 electrolyte for cerium(III)- and chromium(III)-complexes. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition steps of some complexes. All the synthesized compounds were tested for in vitro antibacterial activity against some Gram-positive and Gram-negative bacteria, yeast and fungus. Molecular structure of the Schiff base ligand and its complexes were optimized for the proposed structures on the basis of semiempirical PM3 method.

  15. Protective Efficacy of an H5N1 Inactivated Vaccine Against Challenge with Lethal H5N1, H5N2, H5N6, and H5N8 Influenza Viruses in Chickens.

    Science.gov (United States)

    Zeng, Xianying; Chen, Pucheng; Liu, Liling; Deng, Guohua; Li, Yanbing; Shi, Jianzhong; Kong, Huihui; Feng, Huapeng; Bai, Jie; Li, Xin; Shi, Wenjun; Tian, Guobin; Chen, Hualan

    2016-05-01

    The Goose/Guangdong-lineage H5 viruses have evolved into diverse clades and subclades based on their hemagglutinin (HA) gene during their circulation in wild birds and poultry. Since late 2013, the clade 2.3.4.4 viruses have become widespread in poultry and wild bird populations around the world. Different subtypes of the clade 2.3.4.4 H5 viruses, including H5N1, H5N2, H5N6, and H5N8, have caused vast disease outbreaks in poultry in Asia, Europe, and North America. In this study, we developed a new H5N1 inactivated vaccine by using a seed virus (designated as Re-8) that contains the HA and NA genes from a clade 2.3.4.4 virus, A/chicken/Guizhou/4/13(H5N1) (CK/GZ/4/13), and its six internal genes from the high-growth A/Puerto Rico/8/1934 (H1N1) virus. We evaluated the protective efficacy of this vaccine in chickens challenged with one H5N1 clade 2.3.2.1b virus and six different subtypes of clade 2.3.4.4 viruses, including H5N1, H5N2, H5N6, and H5N8 strains. In the clade 2.3.2.1b virus DK/GX/S1017/13-challenged groups, half of the vaccinated chickens shed virus through the oropharynx and two birds (20%) died during the observation period. All of the control chickens shed viruses and died within 6 days of infection with challenge virus. All of the vaccinated chickens remained healthy following challenge with the six clade 2.3.4.4 viruses, and virus shedding was not detected from any of these birds; however, all of the control birds shed viruses and died within 4 days of challenge with the clade 2.3.4.4 viruses. Our results indicate that the Re-8 vaccine provides protection against different subtypes of clade 2.3.4.4 H5 viruses. PMID:27309064

  16. Synthesis and Crystal Structure of α-(-(1,2,4-Triazol-1H-yl)-ρ-chloro Acetophenone, [ClC6H4COCH2(C2H2N3)

    Institute of Scientific and Technical Information of China (English)

    建方方; 李艳; 肖海玲; 孙萍萍

    2003-01-01

    The title compound [ClC6H4COCH2(C2H2N3)] has been prepared and characterized by elemental analysis, IR spectrum and X-ray studies. It crystallizes in the monoclinic system, space group P21/c with Mr = 221.64 (C10H8ClN3O), a = 13.420(3), b = 9.720(2), c = 7.900(2)(A°),β= 92.00(3)o, V = 1029.9(4)(A°)3, Z = 4, Dc = 1.429 g/cm3, F(000) = 456,μ = 0.345 mm-1, R = 0.0435 and wR=0.0894. The total reflections were 1949 and the independent ones were 1805 (Rint=0.0340), of which 800 were observed with I > 2σ(I). The crystal structure consists of α-(1,2,4-triazol-1H- yl)-(-chloro-acetophenone. The existence of π conjugated systems in the molecule affects partly the bond lengths. The triazole and phenyl rings form the dihedral angle of 77.34o. The molecules of the title compound connect to each other through extensive hydrogen bonds to form a two-dimensional structure. Elemental analysis and IR spectra are in good agreement with the structure data.

  17. Synthesis and crystal structure of a copper complex with (E)-2-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-3, 4-dihydronaphthalen-1(2H)-one ligand

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shu-Wen, E-mail: sunsw0819@163.com [Yuncheng University, Department of Applied Chemistry (China); Zhang, Xiao, E-mail: zhangx@hit.edu.cn [Harbin Institute of Technology, Academy of Fundamental and Interdisciplinary Science (China); Wang, Gao-Feng [Yuncheng University, Department of Applied Chemistry (China)

    2015-12-15

    The title compound, C{sub 35}H{sub 23}CuF{sub 6}N{sub 3}O{sub 5}S{sub 2} (1), was synthesized by the reaction of Cu(tta){sub 2} and L{sup 1}, (L{sup 1} = (E)-2-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-3, 4-dihydronaphthalen-1(2H)-one) in the dichloromethane solution. It crystallizes in the monoclinic, space group P2{sub 1}/c with a = 33.8388(5), b = 9.3874(2), c = 21.8194(4) Å, β = 95.522(2), V = 6898.9(2) Å{sup 3}, Z = 8, D{sub x} = 1.554 Mg/m{sup 3}, F(000) = 3272, µ = 0.834 mm{sup –1}, R{sub 1} = 0.0639, wR{sub 2} = 0.1637. The copper(II) ion of 1 is in a distorted square-pyramidal environment with four O atoms of the two tta ligands and one N atom of triazole ligand L{sup 1}. Single-crystal X-ray diffraction data revealed that the hydrogen bonds, weak C–H···π and π···π interactions in the crystals link the coordination units to form 3D supramolecular structures.

  18. Mismatch repair hMSH2, hMLH1, hMSH6 and hPMS2 mRNA expression profiles in precancerous and cancerous urothelium

    Science.gov (United States)

    VAGELI, DIMITRA P.; GIANNOPOULOS, STAVROS; DOUKAS, SOTIRIOS G.; KALAITZIS, CHRISTOS; GIANNAKOPOULOS, STILIANOS; GIATROMANOLAKI, ALEXANDRA; KOUKOULIS, GEORGE K.; TOULOUPIDIS, STAVROS

    2013-01-01

    Changes in the expression of the mismatch repair (MMR) genes hMSH2, hMLH1, hMSH6 and hPMS2 reflect dysfunction of the DNA repair system that may allow the malignant transformation of tissue cells. The aim of the present study was to address the mRNA expression profiles of the mismatch DNA repair system in cancerous and precancerous urothelium. This is the first study to quantify MMR mRNA expression by applying quantitative real-time PCR (qPCR) and translate the results to mRNA phenotypic profiles (r, reduced; R, regular or elevated) in bladder tumors [24 urothelial cell carcinomas (UCCs) and 1 papillary urothelial neoplasm of low malignant potential (PUNLMP)] paired with their adjacent normal tissues (ANTs). Genetic instability analysis was applied at polymorphic sites distal or close to the hMSH2 and hMLH1 locus. Presenting our data, reduced hMSH2, hMSH6 and hPMS2 mRNA expression profiles were observed in cancerous and precancerous urothelia. Significantly, the ANTs of UCCs revealed the highest percentages of reduced hMSH2 (r2), hMSH6 (r6) and hPMS2 (p2) mRNA phenotypes relative to their tumors (P<0.03). In particular, combined r2r6 (P<0.02) presented a greater difference between ANTs of low-grade UCCs vs. their tumors compared with ANTs of high-grade UCCs (P= 0.000). Reduced hMLH1 (r1) phenotype was not expressed in precancerous or cancerous urothelia. The hMSH6 mRNA was the most changed in UCCs (47.8%), while hMSH2, hMLH1 and hPMS2 showed overexpression (47.8, 35 and 30%, respectively) that was associated with gender and histological tumor grading or staging. Genetic instability was rare in polymorphic regions distal to hMLH1. Our data reveal a previously unrecognized hMSH2 and hMSH6 mRNA combined phenotype (r2r6) correlated with a precancerous urothelium and show that hMLH1 is transcriptionally activated in precancerous or cancerous urothelium. In the present study, it is demonstrated that reduction of hMSH6 mRNA is a frequent event in bladder tumorigenesis and

  19. N'-((2-(6-bromo-2-oxo-2H-chromen-3-yl)-1H-indol-3-yl)methylene)benzohydrazide as a probable Bcl-2/Bcl-xL inhibitor with apoptotic and anti-metastatic potential.

    Science.gov (United States)

    Kamath, Pooja R; Sunil, Dhanya; Ajees, A Abdul; Pai, K S R; Biswas, Shubankar

    2016-09-14

    A wide number of marketed drugs and drug candidates in cancer clinical development contain halogen substituents. The aim of the present study was to synthesize a series of halogen incorporated indole-coumarin hybrid schiff bases - N'-((2-(2-oxo-2H-chromen-3-yl)-1H-indol-3-yl)methylene)benzohydrazides and to investigate their apoptotic and anti-migratory potential in human breast adenocarcinoma cells as well as to examine their Bcl-2 and Bcl-xL protein binding ability via in silico docking. Hybrid 5g with a bromine atom in position-7 of coumarin ring displayed significant dose dependent cytotoxic activity with high selectivity to MCF-7 cells in MTT assay. Cell cycle progression analysis of 5g treated cells using flow cytometer exhibited a cell cycle arrest in the S phase and accumulation of cells in the subG1 phase. The apoptotic mode of cell death induced by 5g was further confirmed by Annexin-V staining assay. The wound healing assay revealed a profound impairment in the migration of MCF-7 cells presumably due to down-regulation of Bcl-2 and Bcl-xL proteins induced by 5g as observed in immunoblotting analysis. SAR studies of these hybrid molecules based on cell viability and docking were also probed. The most active pharmacophore 5g was found to bind favourably to Bcl-2 and Bcl-xL in docking simulation analysis suggesting it to be a probable small molecule Bcl-2/Bcl-xL inhibitor and a potential lead for breast cancer chemotherapy with apoptotic and anti-metastatic properties. PMID:27187865

  20. Synthesisi of N-{4-[6-nitro-1,3-dione-1H-benz[de]isoquinolin-2(3H)-yl)phenyl}-N′-phenylurea and Its Recognition Ability on Anion%N-{4-[6-硝基-1,3-二酮-1H-苯并[de]异喹啉-2(3H)-基]苯基}-N′-苯基脲的合成及其对阴离子的识别性能

    Institute of Scientific and Technical Information of China (English)

    罗俊君; 刘佳; 任君

    2010-01-01

    以苊为原料,经硝化、氧化、缩合和取代反应合成了以萘酰亚胺作为分子荧光基团,脲作为识别基团的新型荧光化学传感器分子--N-{4-[6-硝基-1,3-二酮-1H-苯并[de]异喹啉-2(3H)-基]苯基}-N′-苯基脲(1),其结构经~1H NMR和IR表征.运用荧光滴定法测试了1对阴离子(F~-, Cl~-, Br~-和I~-)的识别能力.结果表明,1对F-具有较好的选择识别性能.

  1. Bis(2-{[3-methyl-4-(2,2,2-trifluoroethoxy-2-pyridyl]methylsulfanyl}-1H,3H+-benzimidazolium 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate

    Directory of Open Access Journals (Sweden)

    Q. N. M. Hakim Al-arique

    2010-06-01

    Full Text Available The title salt, 2C16H15F3N3OS+·C6Cl2O42−, is composed of two independent cations of a lansoprazole {systematic name 2-([3-methyl-4-(2,2,2-trifluoroethoxypyridin-2-yl]methylsulfinyl-1H-benzo[d]imidazole} intermediate and a dianion of chloranilic acid. In the cations of the lansoprazole intermediate, the dihedral angles between the least-squares planes of the pyridine and benzimidazole rings are 11.1 (6 and 13.1 (5°, respectively. The dihedral angles between the mean plane of the benzene ring in the chloranilic acid dianion and the pryidine and benzimidazole rings of the two lansoprazole intermediate groups are 71.8 (1/80.5 (7 and 74.2 (4/74.8 (6°. In addition to ionic bond interactions, the lansoprazole intermediate and chloranilic ions are connected by strong N—H...O hydrogen bonds, which produce a set of extended O—H...O—H...O—H chains along the b axis in the (011 plane. In addition, weak C—H...O, C—H...F, N—H...Cl and π–π [centroid–centroid distances = 3.5631 (15, 3.8187 (13, 3.7434 (17 and 3.842 (2 Å] intermolecular interactions are observed, which contribute to crystal packing stability.

  2. An efficient synthesis of novel 3’-substituted 2-aryl-5-methyl-5'thioxo-[4,4'-bi-4H-1,2,4-triazol]-3(1'H, 2H-ones

    Directory of Open Access Journals (Sweden)

    RAVINDRA R. KAMBLE

    2006-04-01

    Full Text Available Asimple and high yieldingmethod for the integration of two 1,2,4-triazole rings (10a–l has been developed starting from 3-arylsydnones (1a–d. Confirmation for the structures of the newly synthesised compounds was provided by their physical, analytical and spectral data (IR, 1H NMR, 13C NMR and MS.

  3. A novel and potent poly(ADP-ribose) polymerase-1 inhibitor, FR247304 (5-chloro-2-[3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)propyl]-4(3H)-quinazolinone), attenuates neuronal damage in in vitro and in vivo models of cerebral ischemia.

    Science.gov (United States)

    Iwashita, Akinori; Tojo, Nobuteru; Matsuura, Shigeru; Yamazaki, Syunji; Kamijo, Kazunori; Ishida, Junya; Yamamoto, Hirofumi; Hattori, Kouji; Matsuoka, Nobuya; Mutoh, Seitaro

    2004-08-01

    The activation of poly(ADP-ribose) polymerase-1 (PARP-1) after exposure to nitric oxide or oxygen-free radicals can lead to cell injury via severe, irreversible depletion of NAD. Genetic deletion or pharmacological inhibition of PARP-1 attenuates brain injury after focal ischemia and neurotoxicity in several neurodegenerative models in animals. FR247304 (5-chloro-2-[3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)propyl]-4(3H)-quinazolinone) is a novel PARP-1 inhibitor that has recently been identified through structure-based drug design. In an enzyme kinetic analysis, FR247304 exhibits potent and competitive inhibition of PARP-1 activity, with a K(i) value of 35 nM. Here, we show that prevention of PARP activation by FR247304 treatment protects against both reactive oxygen species-induced PC12 cell injury in vitro and ischemic brain injury in vivo. In cell death model, treatment with FR247304 (10(-8)-10(-5) M) significantly reduced NAD depletion by PARP-1 inhibition and attenuated cell death after hydrogen peroxide (100 microM) exposure. After 90 min of middle cerebral artery occlusion in rats, poly(ADP-ribosy)lation and NAD depletion were markedly increased in the cortex and striatum from 1 h after reperfusion. The increased poly(ADP-ribose) immunoreactivity and NAD depletion were attenuated by FR247304 (32 mg/kg i.p.) treatment, and FR247304 significantly decreased ischemic brain damage measured at 24 h after reperfusion. Whereas other PARP inhibitors such as 3-aminobenzamide and PJ34 [N-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-N,N-dimethylactamide] showed similar neuroprotective actions, they were less potent in in vitro assays and less efficacious in an in vivo model compared with FR247304. These results indicate that the novel PARP-1 inhibitor FR247304 exerts its neuroprotective efficacy in in vitro and in vivo experimental models of cerebral ischemia via potent PARP-1 inhibition and also suggest that FR247304 or its derivatives could be attractive therapeutic

  4. 1-{[(Cyclohexyloxycarbonyl]oxy}ethyl 3-{[2′-(2-ethyl-2H-tetrazol-5-ylbiphenyl-4-yl]methyl}-2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate

    Directory of Open Access Journals (Sweden)

    A. Mohan

    2010-04-01

    Full Text Available In the title compound, C33H34N6O6, the dihydrobenzimidazol-2-one ring system is essentially planar (r.m.s. deviation = 0.021 Å. The cyclohexane ring adopts a chair conformation. In the 5-(biphenyl-2-yl-2H-tetrazole fragment, the tetrazole ring is twisted away from the attached benzene ring by 35.73 (11° and the two benzene rings form a dihedral angle of 68.00 (9°. An intramolecular C—H...O interaction is observed. In the crystal, the molecules are linked into a zigzag chain running along the b axis by intermolecular N—H...O hydrogen bonds.

  5. 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.

  6. CAF-1-induced oligomerization of histones H3/H4 and mutually exclusive interactions with Asf1 guide H3/H4 transitions among histone chaperones and DNA.

    Science.gov (United States)

    Liu, Wallace H; Roemer, Sarah C; Port, Alex M; Churchill, Mair E A

    2012-12-01

    Anti-silencing function 1 (Asf1) and Chromatin Assembly Factor 1 (CAF-1) chaperone histones H3/H4 during the assembly of nucleosomes on newly replicated DNA. To understand the mechanism of histone H3/H4 transfer among Asf1, CAF-1 and DNA from a thermodynamic perspective, we developed and employed biophysical approaches using full-length proteins in the budding yeast system. We find that the C-terminal tail of Asf1 enhances the interaction of Asf1 with CAF-1. Surprisingly, although H3/H4 also enhances the interaction of Asf1 with the CAF-1 subunit Cac2, H3/H4 forms a tight complex with CAF-1 exclusive of Asf1, with an affinity weaker than Asf1-H3/H4 or H3/H4-DNA interactions. Unlike Asf1, monomeric CAF-1 binds to multiple H3/H4 dimers, which ultimately promotes the formation of (H3/H4)(2) tetramers on DNA. Thus, transition of H3/H4 from the Asf1-associated dimer to the DNA-associated tetramer is promoted by CAF-1-induced H3/H4 oligomerization.

  7. Metal-ligand interaction of lanthanides with coumarin derivatives. Part I. Complexation of 3-(1-aminoethylidene)-2H-chromene-2,4(3H)-dione with La(III), Ce(III), Nd(III) and Ho(III).

    Science.gov (United States)

    Swiatek, Mirosława; Kufelnicki, Aleksander

    2012-01-01

    Solutions of lanthanum(III), cerium(III), neodymium(III) and holmium(III) nitrates with 3-(1-aminoethylidene)-2H-chromene-2,4(3H)-dione (1) in 10% v/v dioxane-water medium were used. Coordination modes of 1 with the selected lanthanides have been examined. Hydroxo-complexes with deprotonated water molecules from the inner coordination sphere have been stated in basic medium. Stability constants of the forming complex species were determined by potentiometric titrations using Superquad and Hyperquad2003 programs. The most stable complexes are formed with La(III). The UV-Vis spectra of the Nd(III)-1 system confirmed the L:M = 1:1 stoichiometry evaluated potentiometrically.

  8. Studies of the mechanism of the olefin metathesis reaction and the process of active site formation on photoreduced molybdenum-silicate catalysts. 2. Productive and degenerative metathesis of C/sub 2/H/sub 4/-C/sub 2/D/sub 4/ and C/sub 3/H/sub 6/-C/sub 3/D/sub 6/ mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Elev, I.V.; Shelimov, B.N.; Kazanskii, V.B.

    1987-10-01

    The specific catalytic activity of photoreduced Mo/sup 4 +//SiO/sub 2/ samples has been compared for productive and degenerate metathesis reactions of C/sub 3/H/sub 6/-C/sub 3/D/sub 6/ and C/sub 2/H/sub 4/-C/sub 2/D/sub 4/ mixtures. It has been found, that, under comparable conditions, the rate of degenerate metathesis of ethylene is 4-5 times slower than the rate of productive metathesis of propylene, although the rate of degenerate metathesis of propylene is 5 x 10/sup 3/-10/sup 4/ times greater than its rate of productive metathesis. Based on these results, it is concluded that degenerate metathesis of propylene occurs via the involvement of secondary (ethylidene) carbenes.

  9. Synthesis, Crystal Structure and Thermal Stability of a Novel Hetero-bimetallic Complex: Bis(malonato)tetra-(aqua)calcum(Ⅱ)copper(Ⅱ)%杂-双核配合物[CaCu(C3H2O4)2(H2O)4]n的合成、晶体结构及热稳定性

    Institute of Scientific and Technical Information of China (English)

    傅绪成; 王成刚; 李明田; 王小艳

    2007-01-01

    The title complex, [CaCu(C3H2O4)2(H2O)4]n, with a formula of C6H12CaCuO12 and Mr=379.78 has been synthesized and characterized by single crystal X-ray diffraction structure analysis, elemental analysis, IR spectra and TG-DTG techniques. The results show that the crystal is Orthorhombic, space group Pbcn with a=0.669 21(5)and Z=4. The final R=0.0540 and wR=0.112 8 for 1 189 observed reflections with I>2σ(Ⅰ). The structure of the title complex consists of CaO8 polyhedra and CuO6 elongated octahedra linked together by malonate ligands. The Ca(Ⅱ) cation, on a twofold axis, is coordinated by two water molecules and six malonate O atoms. The Cu(Ⅱ)cation, which lies in a centre of symmetry in an octahedral arrangement, is coordinated by four malonate O atoms Cu distance of 0.762 46(6) nm. The whole 3D structure is maintained and stabilized by the presence of hydrogen bonds. Its thermo gravimetric analysis was determined by TG-DTG techniques. CCDC: 663184.

  10. Protective activity of probiotic bacteria against 2-amino-3-methyl-3H-imidazo[4,5-f]quinoline (IQ) and 2-amino-1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridine (PhIP) - an in vitro study.

    Science.gov (United States)

    Nowak, Adriana; Czyżowska, Agata; Stańczyk, Małgorzata

    2015-01-01

    Heterocyclic aromatic amines (HAAs) are carcinogenic compounds present in a typical Western diet rich in thermally processed meat. These nutritional factors can modulate the cytotoxicity of faecal water (FW) and induce tumours in the human gastrointestinal tract. Supplementation with probiotics is promising in terms of reducing the harmful effects of HAAs in the human body. The aim of the study was in vitro assessment of the protective activity of the probiotic strains Lb. rhamnosus 0900, Lb. rhamnosus 0908, Lb. casei 0919 and Lb. casei DN 114001 against IQ (2-amino-3-methyl-3H-imidazo[4,5-f]quinoline) and PhIP (2-amino-1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridine) after incubation with faeces from 15 persons aged 4 months to 82 years (children, adults and the elderly). The highest mean cytotoxicity of FW was observed for the elderly (63.2% ± 3.7%) and the lowest for children (28.0% ± 9.5%), as estimated by a neutral red uptake assay. The probiotics lowered the average cytotoxicity of FW exposed to IQ or PhIP. The concentration of IQ and PhIP in FW was most effectively reduced by Lb. rhamnosus 0900 (47.5%) and Lb. casei 0919 (45.8%), respectively, as determined by high -performance liquid chromatography. All the tested strains bound PhIP to a higher extent than IQ. In an alkaline comet assay, Lb. casei 0919 and Lb. rhamnosus 0908 displayed the strongest protective effect against IQ and PhIP (up to 80% reduction of DNA damage). Also in a comet assay, Lb. rhamnosus 0908 exhibited antioxidative activity toward H2O2 and PhIP (up to 63% and 69.5% reduction of oxidative DNA damage, respectively). The protective activity of the probiotic strains was specific to a given person's FW, which implies the involvement of intestinal microbiota in the process. PMID:26295367

  11. (3aS,7aS-5-[(S-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridin-3(2H-one monohydrate

    Directory of Open Access Journals (Sweden)

    Huichun Zhu

    2010-01-01

    Full Text Available rac-Benzyl 3-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H-carboxylate was separated by chiral chromatography, and one of the enantiomers ([α]22D = +10° was hydrogenated in the presence of Pd/C in methanol, producing octahydro-3H-pyrrolo[3,4-c]pyridin-3-one. The latter was reacted with (2R-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride [(R-(−-Mosher acid chloride], giving rise to the title compound, C17H19F3N2O3·H2O. The present structure established the absolute configuration of the pyrrolopiperidine fragment based on the known configuration of the (R-Mosher acid chloride. The piperidine ring has a somewhat distorted chair conformation and is cis-fused with the five-membered envelope-shaped ring; the plane of the exocyclic amide bond is approximately orthogonal to the plane of the phenyl ring, making a dihedral angle of 82.31 (3°. The water molecule acts as an acceptor to the proton of the amino group in an N—H...O interaction, and as a double proton donor in O—H...O hydrogen bonds, generating infinite bands along the a axis.

  12. nsilico biological evaluation of newly synthesized 1'-(4-Br omophenyl-4'- {4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene methyl] phenyl}-3'',4''- dihydroacenaphthylene-1-spiro-2'-pyrrolidine-3'-spi ro-2''-naphthalene- 2,1''(1H,2''H-dione against fungal target

    Directory of Open Access Journals (Sweden)

    Saravanan B

    2014-03-01

    Full Text Available Fungal infection is the commnest problem everywhere. Depending on the types of starin involves the strategy applies. Various spectral antibiotics have been incorporated as antifungals but fail to inhibit. This pilot study establishes the new synthesied compound 1'-(4-Bromophenyl-4'-{4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidenemethyl]phenyl}-3'',4''-dihydroacenaphthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-2,1''(1H,2''H-dione tested against the fungal target. Selected target retrieved from database and selected using biosynthetic pathways by using the cellular mechanism. This can be act as a check point to interrupt the pathway. Newly introduced pyrolidine based compound were dock with the glucose 6 phosphate synthase insilico docking tools and analyzed by X ray crystallography. Docking by molegro virualdocker (MVD shows good docking score and poses. It shows -141kcal/mol in first pose whichconsiders as a based score and structure based binding site. In conclusion, the synthesized compound can designate as drug.

  13. Photodisintegration of 3H and 3He

    International Nuclear Information System (INIS)

    The photoneutron cross sections for 3H and 3He have been measured from threshold to approx. 25 MeV with monoenergetic photons from the annihilation in flight of fast positrons at the LLL Electron-Positron Linear Accelerator facility. These reactions include the two-body breakup of 3H and the three-body breakup of both 3H and 3He; these measurements for 3H are the first to span the energy region across the peaks of the cross sections. An efficient BF3-tube-and-paraffin neutron detector and high-pressure gaseous samples of several moles each (the activity of the 3H sample was approx. 200,000 Ci) were employed in these measurements. Measurements on 16O and 2H also were performed to verify the absolute cross-section scale. The results, when compared with each other and with results for the two-body breakup cross section for 3He from the literature, show that the two-body breakup cross sections for 3H and 3He have nearly the same shape, but the one for 3He lies lower in magnitude; the three-body breakup cross section for 3He lies higher in magnitude and is broader in the peak region and also rises less sharply from threshold than that for 3H; and these measured differences between the cross sections for the breakup modes largely compensate in their sum, so that the total photon absorption cross sections for 3H and 3He are nearly the same in both size and shape at energies near and above their peaks. Theoretical results from the literature disagree with the experimental results to a certain extent over the entire photon-energy region for which the photoneutron cross sections were measured. 50 figures, 7 tables

  14. 1,3,4,5,7,8-六硝基八氢化二咪唑[4,5-b:4',5'-e ]吡嗪-2,6-(1H,3H)-N,N'-二亚硝胺分子结构与性能的量子化学研究%Computational Study on the Chemical Structure, Explosive Properties and Sensitivity of N,N'-(1,3,4,5,7,8-hexanitrooctahydro-diimidazo [4,5-b:4',5'-e] pyrazine-2,6(1H,3H)-diylidene) dinitramide

    Institute of Scientific and Technical Information of China (English)

    王鹏程; 陆明

    2014-01-01

    A novel high energetic density compound, N,N’-(1,3,4,5,7,8-hexanitrooctahydro-diimidazo [4,5-b:4’,5’-e]pyrazine-2,6(1H,3H)-diylidene)dinitramide was designed. The structure and some impor-tant properties were optimized and calculated under B3PW91/6-31G++( d,p) level with density functional theory( DFT) . By bond order analysis, decomposition was initiated by the rupture of N-NO2 bond on C atom of imidazole and the bond dissociation enthalpies( BDE) was 107.8 kJ/mol. Then some properties of com-pounds were calculated. Its density was 2.00 g/cm3 , heat of formation was 1693.71 kJ/mol, detonation ve-locity and pressure were 10.21 km/s and 49.17 GPa, respectively. The stability was also evaluated and proved to be an insensitive energetic material. Its impact sensitivity was 33 cm, which was better than HMX, RDX and CL-20, the energy difference△E(LUMO-HOMO) was 3.67 eV. The results showed that the molecule was stable and NO2 was the sensitive position. Finally, two possible synthetic routes were also drawn with the ad-vantages of few steps and inexpensive materials.%设计了一种新型高能量密度化合物1,3,4,5,7,8-六硝基八氢化二咪唑[4,5-b:4',5'-e]吡嗪-2,6-(1H,3H)-N,N'-二亚硝胺(ONIP).运用密度泛函理论(DFT),在B3PW91/6-31G++(d, p)水平下进行优化并计算出了ONIP的一些重要性质.通过键级的分析,母环的五元环侧链处N-NO2键为分解引发键,其解离能为107.8 kJ/mol;该化合物理论密度为2.00 g/cm3,生成热为1693.71 kJ/mol,爆速为10.21 km/s,爆压为49.17 GPa,表明爆轰性能优异;其撞击感度为33 cm,优于黑索金( RDX)、奥克托金( HMX)和六硝基六氮杂异伍兹烷(CL-20);能级差为3.67 eV,表明分子稳定性较高.给出了2条合成路线,均具有步骤少且原料易得的优点.

  15. Synthesis, Crystal Structure and Thermal Decomposition of [Ce(NO3)5H2O]·(C3N2H5)2%[Ce(NO3)5H2O]·(C3H5N2)2的合成、晶体结构及热分析

    Institute of Scientific and Technical Information of China (English)

    薛岗林; 杨一心; 李恒新; 何水样; 李君

    2001-01-01

    Colorless crystal,[Ce(NO3) 5H2O]·(C3N2H5)2, has been obtained from the reaction of Ce(NO3)3 with imdazole in the aqueous solution and its crystal structure has been determined by single crystal X-ray diffraction techniques. The crystal belongs to triclinic, space group P1. The cell parameters are: a=0.7489(1) nm, b=0.7914(2)nm, c=1.8139(3)nm, α=89.39(2)°, β=89.37(1)°, γ=63.18(2)°, Dc=2. lg·cm-3, Z=2, R=0.0319. In the compound, all of five nitrates are bidentate and one molecule of water is monodentate, the coordination number of Ce(Ⅲ) is 11.The processes of thermal decomposition of the compound was proposed by its TG curve.

  16. Changes of GABA A Receptor α1 Subunit mRNA and [3H] Flunirazepam Binding in Animal Model of Status Epileptic Rats

    Institute of Scientific and Technical Information of China (English)

    Qinchi Lu

    2000-01-01

    OBJECTIVE: In the present study, we determinded whether status epilepticus or prolonged limbic seizures ( induced by pilocarpine) altered GABA A receptor αl subunit gene expression m the hippocanpus. BACKGROUND: A decrease in GABAergic inhibition during epileptogenesis plays an imprortant role in the development of persistent hyperexcitability observed during chronic epilepsy. METHODS: Stares epilepticus was reduced in male adult rats by a single i.p. injection ofpilocarpine (320-340 mg/kg). Rats that survived status epilepticus ( definded as continous seizure activity in the EcoG for at least 40 min) for 1 h and 2 h were sacrificed for GABA A receptor gene expression and binding assay. In situ hybridization was used to measure regional mRNA levels, and [3H] flunirazepam used to label the benzodiazepine binding sites. RESULTS: We found that 2h after the onset of seizure, GABA A receptor α1 m RNA decresed significarntly in the CA1 and CA3 fields of hippocampus. No significant change in ctl mRNA was observed in the dentate gyrus. However, [3H] flunirazepam binding decreased uniformly in CA l, CA3 and dentate gyrus 2h after status epfileptius. 1 h ofcontinuous seizures did not produce any significant change in either αl mRNA or [3H] flunirazepam birding in any of the hippocampal regions studied. Cresyl violet staining of the brain hippocampus areas lh or 2h after the seizure-onset. DISCUSSION: The above changes make the brain more susceptible for the development of chronic epilepsy. CONCLUSION: These results suggest that status epilepticus-induced decreased in GABA A recepor αl gene expression and [3H] flunirazepam binding in the hippocampus.

  17. Muon capture on 3H

    CERN Document Server

    Golak, J; Witala, H; Topolnicki, K; Kamada, H; Nogga, A; Marcucci, L E

    2016-01-01

    The muon capture on 3H leading to muonic neutrino and three neutrons in the final state is studied under full inclusion of final state interactions. Predictions for the three-body break-up of 3H are calculated with the AV18 potential, augmented by the Urbana IX three-nucleon force. Our results are based on the single nucleon weak current operator comprising the dominant relativistic corrections. This work is a natural extension of our investigations of the muon capture on 3He leading to 3H or n+d or n+n+p and muonic neutrino in the final state, presented in Phys. Rev. C90, 024001 (2014).

  18. 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].

  19. Crystal structure of 6-chloro-5-isopropylpyrimidine-2,4(1H,3H-dione

    Directory of Open Access Journals (Sweden)

    Nadia G. Haress

    2014-11-01

    Full Text Available In the molecule of the title compound, C7H9ClN2O2, the conformation is determined by intramolecular C—H...O and C—H...Cl hydrogen bonds, which generate S(6 and S(5 ring motifs. The isopropyl group is almost perpendicular to the pyrimidine ring with torsion angles of −70.8 (3 and 56.0 (3°. In the crystal, two inversion-related molecules are linked via a pair of N—H...O hydrogen bonds into R22(8 dimers; these dimers are connected into chains extending along the bc plane via an additional N—H...O hydrogen bond and weaker C—H...O hydrogen bonds. The crystal structure is further stabilized by a weak π–π interaction [3.6465 (10 Å] between adjacent pyrimidine-dione rings arranged in a head-to-tail fashion, producing a three-dimensional network.

  20. 1,3-Dibenzyl-1H-benzimidazol-2(3H-one

    Directory of Open Access Journals (Sweden)

    Youssef Kandri Rodi

    2011-12-01

    Full Text Available In the molecular structure of the title compound, C21H18N2O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.0121 (9 Å. The O atom and adjacent C atom are located in Wyckoff position 4e on a twofold axis (0, y, 1/4. The two benzyl groups are almost perpendicular to the benzimidazole plane, but point in opposite directions. The dihedral angle between the benzimidazole mean plane and the phenyl ring is 81.95 (5°, whereas that between the two benzyl groups is 60.96 (7°.

  1. 3H-Penciclovir (3H-PCV) Uptake Assay

    Science.gov (United States)

    Sekar, Thillai V; Paulmurugan, Ramasamy

    2016-01-01

    Thymidine Kinase from human Herpes simplex virus type 1 (HSV1-TK) in combination with specific substrate prodrug nucleotide analogue ganciclovir (GCV) has been widely used as suicidal therapeutic gene for cancer gene therapy. HSV1, and its mutant (HSV1-sr39TK) with improved substrate specificity, were used as reporter genes for PET-imaging of various biological functions in small animals, by combining with radiolabeled substrates such as 18F-FHBG and 124I-FIAU. 3H-Penciclovir (PCV) uptake assay is a method of choice used to determine the expression level of HSV1-TK in mammalian cells and tissues. HSV1-TK phosphorylate PCV and result in the formation of penciclovir monophosphate, and its subsequent phopsphorylation by cellular TK lead to the formation of penciclovir triphosphate, which is trapped selectively in cells expressing HSV-TK. 3H-Penciclovir enables the detection of penciclovir uptake of mammalian cells and tissues by radioactive procedures such as scintillation counting. Here we describe the protocol to carry out 3H-Penciclovir uptakes in mammalian cells.

  2. A Cu (NO3)2.3H2O catalysed facile synthesis of substituted 4(3H)-quinazolinones and benzimidazoles

    Indian Academy of Sciences (India)

    G A N K Durgareddy; R Ravikumar; S Ravi; Srinivas R Adapa

    2013-01-01

    One pot synthesis of alkyl, aryl, heteroaryl mono(2)substituted 4(3H)-quinazolinones and 2-aryl or heteroaryl, 1-arylmethyl or heteroarylmethyl -1H-benzimidazoles using a water soluble Cu (NO3)2.3H2O catalyst at room/ambient temperature in excellent yield.

  3. N-4-(二氯乙基)丁胺-1,8-萘酰亚胺对人肝癌HepG2细胞的抑制作用及其机制研究%Inhibition effect and mechanism of novel nitrogen mustard derivative 2 -(4 -di (2-chloroethyl) aminobutylamino)-1H-benz-[ de] isoquinoline-1,3(2H) -dione on human hepatoma HepG2 cells

    Institute of Scientific and Technical Information of China (English)

    苗久旺; 张忠泉; 谢松强

    2015-01-01

    目的:体外评价N-4-(二氯乙基)丁胺-1,8-萘酰亚胺( XHH)对HepG2细胞的抑制作用及其作用机制。方法采用MTT法检测细胞增殖,高内涵筛选分析仪结合Annexin V-FITC/Hoechst33342, PI/Hoechst33342和Rh123/Hoechst33342双染色法检测细胞形态及膜电位;免疫荧光法检测caspase-3, caspase-9, Bcl-2, Bax的表达水平。结果 XHH能抑制HepG2细胞增殖,诱导细胞凋亡,降低线粒体膜电位,提高Bax/Bcl-2,使caspase-3, caspase-9表达增加。结论 XHH具有较好的抗HepG2肿瘤细胞作用,可通过线粒体途径诱导细胞凋亡。%Objective To investigate the effects of 2-(4-di(2-chlo-roethyl) aminobutylamino)-1H-benz-[de]isoquinoline-1,3(2H)-dione( XHH) , a novel nitrogen mustard derivative, on the growth and apoptosis in human hepatoma HepG2 cells in vitro.Methods Cell pro-liferative effect was assessed by MTT assay.Changes of morphology and mitochondrial membrane potential ( MMP) were assessed by AnnexinV-FITC/Hoechst33342 , PI/Hoecsht33342 and Rh123/Hoechst33342 double staining using high content screening ( HCS ) .The expression of caspase-3 , caspase-9 , Bcl-2 , Bax was assessed by immunofluores-cence method using HCS. Results The results indicated that XHH could inhibit the proliferation of HepG2 cells, induce apoptosis, lose MMP, up-regulate the ratio of Bax/Bcl-2, increase the expression of caspase-3 , caspase-9.Conclusion XHH could inhibit proliferative of human hepatoma HepG2 cells and induce cell apoptosis via mitochon-drial pathway.

  4. Microautoradiographic localisation of [3H]sucrose and [3H]mannitol in Robinia pseudoacacia pulvinar tissues during phytochrome-mediated nyctinastic closure.

    Science.gov (United States)

    Moysset, L; Llambrich, E; López-Iglesias, C; Simón, E

    2006-11-01

    We have analysed the incorporation of [(3)H]sucrose and [(3)H]mannitol in pulvinar motor cells of Robinia pseudoacacia L. during phytochrome-mediated nyctinastic closure. Pairs of leaflets, excised 2 h after the beginning of the photoperiod, were fed with 50 mM [(3)H]sucrose or [(3)H]mannitol, irradiated with red (15 min) or far-red (5 min) light and placed in the dark for 2-3 h. Label uptake was measured in whole pulvini by liquid scintillation counting. The distribution of labelling in pulvinar sections was assessed by both light and electron microautoradiography. [(3)H]Sucrose uptake was twice that of [(3)H]mannitol incorporation in both red- and far-red-irradiated pulvini. In the autoradiographs, [(3)H]sucrose and [(3)H]mannitol labelling was localised in the area from the vascular bundle to the epidermis, mainly in vacuoles, cytoplasm, and cell walls. Extensor and flexor protoplasts displayed a different distribution of [(3)H]sucrose after red and far-red irradiation. Far-red light drastically reduced the [(3)H]sucrose incorporation in extensor protoplasts and caused a slight increase in internal flexor protoplasts. After red light treatment, no differences in [(3)H]sucrose labelling were found between extensor and flexor protoplasts. Our results indicate a phytochrome control of sucrose distribution in cortical motor cells and seem to rule out the possibility of sucrose acting as an osmoticum. PMID:17102931

  5. Determination of muscle protein synthesis rates in fish using (2)H2O and (2)H NMR analysis of alanine.

    Science.gov (United States)

    Marques, Cátia; Viegas, Filipa; Rito, João; Jones, John; Viegas, Ivan

    2016-09-15

    Following administration of deuterated water ((2)H2O), the fractional synthetic rate (FSR) of a given endogenous protein can be estimated by (2)H-enrichment quantification of its alanine residues. Currently, this is measured by mass spectrometry following a derivatization procedure. Muscle FSR was measured by (1)H/(2)H NMR analysis of alanine from seabass kept for 6 days in 5% (2)H-enriched saltwater, following acid hydrolysis and amino acid isolation by cation-exchange chromatography of muscle tissue. The analysis is simple and robust, and provides precise measurements of excess alanine (2)H-enrichment in the 0.1-0.4% range from 50 mmol of alanine recovered from muscle protein. PMID:27418547

  6. Immobilization of Ag(i) into a metal-organic framework with -SO3H sites for highly selective olefin-paraffin separation at room temperature.

    Science.gov (United States)

    Chang, Ganggang; Huang, Minhui; Su, Ye; Xing, Huabin; Su, Baogen; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi; Chen, Banglin

    2015-02-18

    Introduction of Ag(i) ions into a sulfonic acid functionalized MOF ((Cr)-MIL-101-SO3H) significantly enhances its interactions with olefin double bonds, leading to its much higher selectivities for the separation of C2H4-C2H6 and C3H6-C3H8 at room temperature over the original (Cr)-MIL-101-SO3H and other adsorbents at room temperature.

  7. Nuclear Magnetic Resonance (NMR), Infrared (IR) and Mass Spectrometry (MS) study of keto-enol tautomerism of isobenzofuran-1(3H)-one derivatives

    Science.gov (United States)

    Pires, Diego Arantes Teixeira; Pereira, Wagner Luiz; Teixeira, Róbson Ricardo; Figueroa-Villar, José Daniel; Nascimento, Claudia Jorge do

    2016-06-01

    The keto-enol tautomerism of 3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)isobenzofuran-1(3H-one (1), 3-(2-hydroxy-6-oxocyclohex-1-enyl)isobenzofuran-1(3H)-one (2), 3-(2-hydroxy-4-methyl-6-oxocyclohex-1-enyl)isobenzofuran-1(3H)-one (3), 3-(2-hydroxy-5-oxocyclopent-1-enyl)isobenzofuran-1(3H)-one (4) and 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)-1H-indene-1,3(2H)-dione (5) were investigated. We noticed that for compounds 1 to 4 only the enol form is observed in solid, in solution or in the gas phase. Their tautomeric equilibria are not affected by the solvent, temperature or physical state. Compound 5 was observed in its keto form in solution (NMR) and solid state (IR). The enol species of 5 was also observed upon Mass Spectrometry analysis. These findings were supported by NMR, IR, MS/MS and molecular modeling analyses.

  8. Synthesis of ( sup 3 H)naltrindole

    Energy Technology Data Exchange (ETDEWEB)

    Dorn, C.R.; Markos, C.S.; Dappen, M.S.; Pitzele, B.S. (Searle (G.D.) and Co., Skokie, IL (United States). R and D Div.)

    1992-05-01

    ({sup 3}H)Naltrindole (({sup 3}H)1) was prepared for use as a selective radiolabeled ligand for delta opioid receptors. The Fischer indole synthesis from naltrexone and 2,4-dibromophenylhydrazine produced dibromide precursor 2, which was catalytically dehalogenated with carrier free tritium gas to afford ({sup 3}H)1 in 45.8% yield at a specific activity of 39.5 Ci/mmol. (author).

  9. Mild hydration of didecyldimethylammonium chloride modified DNA by 1H-nuclear magnetic resonance and by sorption isotherm

    Science.gov (United States)

    Harańczyk, H.; Kobierski, J.; Nizioł, J.; Hebda, E.; Pielichowski, J.; Zalitacz, D.; Marzec, M.; El-Ghayoury, A.

    2013-01-01

    The gaseous phase hydration of deoxyribonucleic acid and didecyldimethylammonium chloride (C19H42ClN) complexes (DNA-DDCA) was observed using hydration kinetics, sorption isotherm, and high power nuclear magnetic resonance. Three bound water fractions were distinguished: (i) a very tightly bound water not removed by incubation over silica gel, (ii) a tightly bound water saturating with the hydration time t1h = (0.59 ± 0.04) h, and a loosely bound water fraction, (iii) with the hydration time t2h = (20.9 ± 1.3) h. Proton free induction decay was decomposed into the signal associated with the solid matrix of DNA-DDCA complex (T2S∗≈ 30 μs) and two liquid signal components coming from tightly bound (T2L1∗≈ 100 μs) and from loosely bound water fraction (T2L2∗≈ 1000 μs).

  10. Thermodynamic study of (alkyl esters + {alpha},{omega}-alkyl dihalides) VII. H{sub m}{sup E} and V{sub m}{sup E} for 20 binary mixtures {l_brace}xC{sub u-1}H{sub 2u-1}CO{sub 2}C{sub 3}H{sub 7} + (1 - x){alpha},{omega}-ClCH{sub 2}(CH{sub 2}){sub v-2}CH{sub 2}Cl{r_brace}, where u = 1 to 4, {alpha} = 1 and v = {omega} = 2 to 6. An analysis of behavior using the COSMO-RS methodology

    Energy Technology Data Exchange (ETDEWEB)

    Marrero, E. [Laboratorio de Termodinamica y Fisicoquimica de Fluidos (www.thermo.ulpgc.es), Parque Cientifico-Tecnologico, Campus Universitario de Tafira, Universidad de Las Palmas de Gran Canaria, 35071 Las Palmas de Gran Canaria, Canary Islands (Spain); Ortega, J. [Laboratorio de Termodinamica y Fisicoquimica de Fluidos (www.thermo.ulpgc.es), Parque Cientifico-Tecnologico, Campus Universitario de Tafira, Universidad de Las Palmas de Gran Canaria, 35071 Las Palmas de Gran Canaria, Canary Islands (Spain)], E-mail: jortega@dip.ulpgc.es; Palomar, J. [Seccion de Ingenieria Quimica, Dpto. de Quimica-Fisica Aplicada, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain)

    2009-03-15

    Summary: Excess enthalpies H{sub m}{sup E} and excess volumes V{sub m}{sup E} obtained at a temperature of 298.15 K and atmospheric pressure are presented for a set of 20 binary mixtures comprised of the first four propyl esters, C{sub u-1}H{sub 2u-1}COOC{sub 3}H{sub 7} (u = 1 to 4), and five {alpha},{omega}-dichloroalkanes, ClCH{sub 2}(CH{sub 2}){sub v-2}CH{sub 2}Cl (v = 2 to 6). All the mixtures are exothermic except for those corresponding to propyl methanoate with v {>=} 4. The V{sub m}{sup E} are positive in most mixtures except for those where v = 4, 5, 6, for V{sub m}{sup E}<0. There is a regular rise in H{sub m}{sup E} with v, while the increase in u produces a greater exothermicity in the mixing process, which becomes inverted for propyl butanoate. The variation in V{sub m}{sup E} with the chain length of the compounds of the mixtures studied is not regular since both the enthalpic and the volumetric effects are due to interactions of different nature, positive and negative. Interpretation of the behavior was assisted by applying the quantum-chemistry method COSMO-RS. This method describes qualitatively and quantitatively the contribution of the different types of interactions, electrostatic, van der Waals, and those due to the (Cl, Cl) bond in the dihalide, and the influence of the ester and dichloroalkane chains. This information was also useful to adequately modify the application of the UNIFAC group contribution model, proposing parameters for the Cl, Cl/carboxylate interaction that vary with the chain length of the compounds involved. With this modification, the results estimated by UNIFAC model can be considered good.

  11. Decreased insulin clearance in individuals with elevated 1-h post-load plasma glucose levels.

    Directory of Open Access Journals (Sweden)

    Maria Adelaide Marini

    Full Text Available Reduced insulin clearance has been shown to predict the development of type 2 diabetes. Recently, it has been suggested that plasma glucose concentrations ≥ 8.6 mmol/l (155 mg/dl at 1 h during an oral glucose tolerance test (OGTT can identify individuals at high risk for type 2 diabetes among those who have normal glucose tolerance (NGT 1 h-high. The aim of this study was to examine whether NGT 1 h-high have a decrease in insulin clearance, as compared with NGT individuals with 1-h post-load glucose <8.6 mmol/l (l (155 mg/dl, NGT 1 h-low. To this end, 438 non-diabetic White individuals were subjected to OGTT and euglycemic-hyperinsulinemic clamp to evaluate insulin clearance and insulin sensitivity. As compared with NGT 1 h-low individuals, NGT 1 h-high had significantly higher 1-h and 2-h post-load plasma glucose and 2-h insulin levels as well as higher fasting glucose and insulin levels. NGT 1 h-high exhibited also a significant decrease in both insulin sensitivity (P<0.0001 and insulin clearance (P = 0.006 after adjusting for age, gender, adiposity measures, and insulin sensitivity. The differences in insulin clearance remained significant after adjustment for fasting glucose (P = 0.02 in addition to gender, age, and BMI. In univariate analyses adjusted for gender and age, insulin clearance was inversely correlated with body weight, body mass index, waist, fat mass, 1-h and 2-h post-load glucose levels, fasting, 1-h and 2-h post-load insulin levels, and insulin-stimulated glucose disposal. In conclusion, our data show that NGT 1 h-high have a reduction in insulin clearance as compared with NGT 1 h-low individuals; this suggests that impaired insulin clearance may contribute to sustained fasting and post-meal hyperinsulinemia.

  12. Reference: OCTAMERMOTIFTAH3H4 [PLACE

    Lifescience Database Archive (English)

    Full Text Available OCTAMERMOTIFTAH3H4 Nakayama T, Sakamoto A, Yang P, Minami M, Fujimoto Y, Ito T, Iwa...buchi M Highly conserved hexamer, octamer and nonamer motifs are positive cis-regulatory elements of the whe

  13. 6-Bromo-1-ethyl-1H-2,1-benzothiazin-4(3H-one 2,2-dioxide

    Directory of Open Access Journals (Sweden)

    Muhammad Safdar

    2009-02-01

    Full Text Available In the title compound, C10H10BrNO3S, the S atom is four-coordinated in a distorted tetrahedral configuration with nearly equal S=O bond distances; the S—C and S—N bond lengths are 1.755 (3 and 1.649 (3 Å, respectively. The heterocyclic thiazine ring adopts a twist conformation. Adjacent molecules are attached to each other through intermolecular C—H...O hydrogen bonds, forming R22(8 and R22(14 ring motifs. The molecules are stabilized by intra- and intermolecular hydrogen bonds, forming a three-dimensional polymeric network.

  14. 1-Methyl-1H-2,1-benzothiazin-4(3H-one 2,2-dioxide

    Directory of Open Access Journals (Sweden)

    Muhammad Nadeem Arshad

    2008-03-01

    Full Text Available In the crystal structure of the title compound, C9H9NO3S, there is distorted tetrahedral geometry around the S atom. The sulfonyl group is almost normal to the benzene ring, while the carbonyl O atom and methyl C atom are on opposite sides of this ring. The heterocyclic ring adopts a half-boat conformation with the S atom out of the plane. The molecules are dimerized by hydrogen bonding involving the benzene ring and the sulfonyl group. These dimers are linked to each other in the same way. There is an intramolecular hydrogen bond between a methyl C—H group and a sulfonyl O atom, and a π–π interaction between the aromatic rings of two dimers at a centroid-to-centroid distance of 3.6373 (13 Å.

  15. Main: 1H49 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H49 トウモロコシ Corn Zea mays L. Beta-Glucosidase, Chloroplast Precursor Name=Glu1; Zea...NPWIYMYPEGLKDLLMIMKNKYGNPPIYITENGIGDVDTKETPLPMEAALNDYKRLDYIQRHIATLKESIDLGSNVQGYFAWSLLDNFEWFAGFTERYGIVYVDRNNNCTRYMKESAKWLKEFNTAKKPSKKILTPA corn_1H49.jpg ...

  16. Main: 1H83 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H83 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...GYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H83.jpg ...

  17. Main: 1H82 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H82 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...PEGKGREFFLYASSRRGYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H82.jpg ...

  18. Main: 1H86 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H86 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...PEGKGREFFLYASSRRGYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H86.jpg ...

  19. Main: 1H84 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H84 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...GYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H84.jpg ...

  20. Main: 1H81 [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H81 トウモロコシ Corn Zea mays L. Polyamine Oxidase Precursor Name=Pao; Zea Mays Molecul...PEGKGREFFLYASSRRGYYGVWQEFEKQYPDANVLLVTVTDEESRRIEQQSDEQTKAEIMQVLRKMFPGKDVPDATDILVPRWWSDRFYKGTFSNWPVGVNRYEYDQLRAPVGRVYFTGEHTSEHYNGYVHGAYLSGIDSAEILINCAQKKMCKYHVQGKYD corn_1H81.jpg ...

  1. Understanding the $\\rm C_3H_2$ cyclic-to-linear ratio in L1544

    CERN Document Server

    Sipilä, O; Caselli, P

    2016-01-01

    Aims. We aim to understand the high cyclic-to-linear $\\rm C_3H_2$ ratio ($32 \\pm 4$) observed toward L1544 by Spezzano et al. (2016). Methods. We combine a gas-grain chemical model with a physical model for L1544 to simulate the column densities of cyclic and linear $\\rm C_3H_2$ observed toward L1544. The most important reactions for the formation and destruction of both forms of $\\rm C_3H_2$ are identified, and their relative rate coefficients are varied to find the best match to the observations. Results. We find that the ratio of the rate coefficients of $\\rm C_3H_3^+ + e^- \\longrightarrow C_3H_2 + H$ for cyclic and linear $\\rm C_3H_2$ must be $\\sim 20$ in order to reproduce the observations, depending on the branching ratios assumed for the $\\rm C_3H_3^+ + e^- \\longrightarrow C_3H + H_2$ reaction. In current astrochemical networks it is assumed that cyclic and linear $\\rm C_3H_2$ are formed in a 1:1 ratio in the aforementioned reactions. Laboratory studies and/or theoretical calculations are needed to con...

  2. [3H] diazepam binding to human granulocytes

    International Nuclear Information System (INIS)

    [3H]-diazepam binds to sites on human granulocyte membranes, with little or no binding to platelets or lymphocytes. These [3H]-diazepam binding sites are of the peripheral type, being strongly inhibited by R05-4864 (Ki=6.23nM) but only weakly by clonazepam (Ki=14μM). Binding of [3H] diazepam at 00 is saturable, specific and stereoselective. Scatchard analysis indicates a single class of sites with Bmax of 109 +/- 17f moles per mg of protein and K/sub D/ of 3.07 +/- 0.53nM. Hill plots of saturation experiments gave straight lines with a mean Hill coefficient of 1.03 +/- 0.014. Binding is time dependent and reversible and it varies linearly with granulocyte protein concentration over the range 0.025-0.300 mg of protein. 11 references, 3 figures, 1 table

  3. Fragmentation Mechanism for A Group of 2(1H)-Quinoxalines%一类2(1H)-喹喔啉化合物的裂解机理

    Institute of Scientific and Technical Information of China (English)

    杨小兵; 丁松涛; 王安邦; 李小银; 杨裕生; 胡伟华

    2002-01-01

    用电子轰击质谱(EI-MS)研究了一类喹喔啉化合物:1-烷基-3-甲基-2(1H)-喹喔啉-2-酮(1-alkyl-3-methyl-2(1H)-quinoxalin-2-one,简称AMQ,其中alkyl=H,CH3,C2H5,n-C3H7,n-C5H11,n-C16H33);结果表明随着烷基链的增长,样品熔点通常会有所降低,结合在电子轰击下所产生的裂解碎片离子,并根据其结构特征以乙基化样品为代表,推导了该类化合物在电子轰击作用下可能发生的裂解机理.

  4. DIBENZODIOXOCIN STRUCTURES INVOLVING P-HYDROXYPHENYL UNITS IN C3H DOWN-REGULATED LIGNINS

    Science.gov (United States)

    We previously reported that downregulation of the gene encoding 4-coumarate 3-hydroxylase (C3H) in alfalfa markedly increased the proportion of p-hydroxyphenyl (H) units relative to the normally dominant guaiacyl (G) and syringyl (S) units, as determined by 2D 13C-1H correlative NMR methods, thioaci...

  5. Reference: OCTAMERMOTIFTAH3H4 [PLACE

    Lifescience Database Archive (English)

    Full Text Available OCTAMERMOTIFTAH3H4 Taoka K, Kaya H, Nakayama T, Araki T, Meshi T, Iwabuchi M Identi...fication of three Kinds of mutually related composite elements conferring S phase-specific transcriptional activation Plant J 18:611-623 (1999) PubMed: 10417712; ...

  6. The Photon Polarization Parameter of 2H(n, γ)3H reaction with Inclusion of the Electric Quadrupole Contribution

    Science.gov (United States)

    Sadeghi, H.; Mosavi-Khansari, M.

    2014-09-01

    We use effective field theory (EFT) for the calculation of neutron—deuteron radiative capture at very low energies. We present here the use of EFT to calculate a low-energy photo-nuclear observable in three-body systems, the photon polarization parameter and fore—aft asymmetry at thermal neutron energies up to next-to-next to leading order (N2LO), with inclusion of the electric quadrupole contribution. The photon polarization parameter in total is found to be Rc = -0.421 ± 0.003 and is in good agreement with the other modern theoretical calculations based on modern nucleon—nucleon potentials. In comparison with our previous work, a satisfactory agreement with the available experimental data is found by inclusion of the electric quadrupole contribution.

  7. Main: OCTAMERMOTIFTAH3H4 [PLACE

    Lifescience Database Archive (English)

    Full Text Available OCTAMERMOTIFTAH3H4 S000076 11-May-2006 (last modified) kehi Octamer motif found in ...promoter of wheat (T.a.) histone genes H3 and H4, and corn histone genes H3 and H4; Arabidopsis histone H4; histone-specific oct...amer; About half of the Oct motifs are present together with another element, HexA, TCA ...or CCAAT-box, forming OCES (Oct-containing composite elements); histone; Oct; S-p

  8. Eu2(PO3H)3

    International Nuclear Information System (INIS)

    The structure of dieuropium tris(hydrogen phosphite), Eu2(PO3H)3, contains three independent phosphite anions. One Eu3+ cation is eight-coordinate whereas the other is only seven-coordinate. One [EuO8] dodecahedron and one monocapped [EuO7] trigonal prism alternate so that, by sharing one vertex, infinite layers are formed parallel to the [101] direction. The layers are held together by Eu-O interlayer bonds. (orig.)

  9. {sup 1}H MR spectroscopy in epilepsy

    Energy Technology Data Exchange (ETDEWEB)

    Hajek, Milan [MR Unit, Department of Diagnostic and Interventional Radiology, Institute for Clinical and Experimental Medicine, Videnska 1958/9, 140 21 Prague (Czech Republic)], E-mail: miha@medicon.cz; Dezortova, Monika [MR Unit, Department of Diagnostic and Interventional Radiology, Institute for Clinical and Experimental Medicine, Videnska 1958/9, 140 21 Prague (Czech Republic)], E-mail: mode@medicon.cz; Krsek, Pavel [Department of Pediatric Neurology, Charles University, Second Medical School, Motol Hospital, V Uvalu 84, 150 06 Prague 5 (Czech Republic)], E-mail: pavel.krsek@post.cz

    2008-08-15

    The introduction to the application of {sup 1}H MR spectroscopy for clinical and research studies of mesial temporal and extratemporal epilepsies is done. The techniques of single voxel and spectroscopic imaging are discussed and the analysis of {sup 1}H MR spectra together with basic metabolic descriptions is presented.

  10. 1H MR spectroscopy in epilepsy

    International Nuclear Information System (INIS)

    The introduction to the application of 1H MR spectroscopy for clinical and research studies of mesial temporal and extratemporal epilepsies is done. The techniques of single voxel and spectroscopic imaging are discussed and the analysis of 1H MR spectra together with basic metabolic descriptions is presented

  11. KBS-3H design description 2005

    Energy Technology Data Exchange (ETDEWEB)

    Autio, Jorma (Saanio and Riekkola Oy, Helsinki (Finland))

    2008-05-15

    SKB and Posiva are performing an RandD program over the period of 2002-2007 with the overall aim to develop the KBS-3H to an alternative to the KBS-3V concept for disposal of spent nuclear fuel. A feasibility study of the KBS-3H concept was carried out in 2002, followed by the setting up of basic design in 2003. Several problems related to the behavior of the design and scope of future research and development work were addressed. Therefore the design basis was developed further and two candidate designs were developed: 1) previous Basic Design (BD) was developed more robust and tolerable to inflows. Parallel to that a novel modified 2) DAWE design with Drainage, Air evacuation and Watering and was developed to function robustly at various inflow situations. The candidate designs presented in this report include several novel components, such as fixing rings and steel plugs which have been designed without support of applicable design guidelines, regulations or standards available. The design basis and performance of these components include uncertainties, which should be studied and verified. It is possible that a feasible site specific design can be based on using both alternatives

  12. Galápagos hydroclimate of the Common Era from paired microalgal and mangrove biomarker 2H/1H values

    Science.gov (United States)

    Nelson, Daniel B.; Sachs, Julian P.

    2016-03-01

    Tropical maritime precipitation affects global atmospheric circulation, influencing storm tracks and the size and location of subtropical deserts. Paleoclimate evidence suggests centuries-long changes in rainfall in the tropical Pacific over the past 2,000 y, but these remain poorly characterized across most of the ocean where long, continuous proxy records capable of resolving decadal-to-centennial climate changes are still virtually nonexistent despite substantial efforts to develop them. Here we apply a new climate proxy based on paired hydrogen isotope ratios from microalgal and mangrove-derived sedimentary lipids in the Galápagos to reconstruct maritime precipitation changes during the Common Era. We show that increased rainfall during the Little Ice Age (LIA) (∼1400-1850 CE) was likely caused by a southward migration of the Intertropical Convergence Zone (ITCZ), and that this shift occurred later than previously recognized, coeval with dynamically linked precipitation changes in South America and the western tropical Pacific. Before the LIA, we show that drier conditions at the onset of the Medieval Warm Period (∼800-1300 CE) and wetter conditions ca. 2 ka were caused by changes in the El Niño/Southern Oscillation (ENSO). Collectively, the large natural variations in tropical rainfall we detect, each linked to a multicentury perturbation of either ENSO-like variability or the ITCZ, imply a high sensitivity of tropical Pacific rainfall to climate forcings.

  13. 6-Bromo-2-(diprop-2-ynylamino-1H-benzo[de]isoquinoline-1,3(2H-dione

    Directory of Open Access Journals (Sweden)

    Jing-Song Lv

    2012-06-01

    Full Text Available The asymmetric unit of the title compound, C18H11BrN2O2, contains two independent molecules in which the prop-2-ynylamino groups have different mutual orientations. In one molecule, the Br atom is disordered over two positions, with refined occupancies of 0.742 (2 and 0.258 (2.

  14. 5-Butylamino-2-[2-(dimethylaminoethyl]-1H-benz[de]isoquinoline-1,3(2H-dione

    Directory of Open Access Journals (Sweden)

    Li-Juan Xie

    2010-06-01

    Full Text Available The title compound, C20H25N3O2, is a new amonafide analogue, which exhibits antitumor activity. The asymmetric unit contains two molecules with similar conformations for the substituted aliphatic chains. The two independent molecules form dmers through N—H...N hydrogen bonds. The crystal structure is stabilized via π–π stacking interactions, the shortest centroid–centroid separation between six-membered rings being 3.673 (2 Å.

  15. Galápagos hydroclimate of the Common Era from paired microalgal and mangrove biomarker 2H/1H values.

    Science.gov (United States)

    Nelson, Daniel B; Sachs, Julian P

    2016-03-29

    Tropical maritime precipitation affects global atmospheric circulation, influencing storm tracks and the size and location of subtropical deserts. Paleoclimate evidence suggests centuries-long changes in rainfall in the tropical Pacific over the past 2,000 y, but these remain poorly characterized across most of the ocean where long, continuous proxy records capable of resolving decadal-to-centennial climate changes are still virtually nonexistent despite substantial efforts to develop them. Here we apply a new climate proxy based on paired hydrogen isotope ratios from microalgal and mangrove-derived sedimentary lipids in the Galápagos to reconstruct maritime precipitation changes during the Common Era. We show that increased rainfall during the Little Ice Age (LIA) (∼1400-1850 CE) was likely caused by a southward migration of the Intertropical Convergence Zone (ITCZ), and that this shift occurred later than previously recognized, coeval with dynamically linked precipitation changes in South America and the western tropical Pacific. Before the LIA, we show that drier conditions at the onset of the Medieval Warm Period (∼800-1300 CE) and wetter conditionsca 2 ka were caused by changes in the El Niño/Southern Oscillation (ENSO). Collectively, the large natural variations in tropical rainfall we detect, each linked to a multicentury perturbation of either ENSO-like variability or the ITCZ, imply a high sensitivity of tropical Pacific rainfall to climate forcings. PMID:26976574

  16. Synthesis of 3-{4-[4-(Benzylideneaminobenzenesulfonyl]- phenyl}-2-phenylquinazolin-4(3H-one

    Directory of Open Access Journals (Sweden)

    Sunil Manohar Babu

    2009-01-01

    Full Text Available The present work describes the synthesis of a Schiff base, 3-{4-[4-(benzylideneamino benzenesulfonyl]phenyl}-2-phenylquinazolin-4(3H-one from a novel quinazolinone, 3-[4-(4 aminobenzenesulfonylphenyl]-2-phenylquinazolin-4(3H-one. The quinazolinone was prepared by reacting 2-phenyl-4H-3,1 benzoxazin-4-one with dapsone. The structure of the synthesized Schiff base is confirmed by IR, 1H NMR, 13C NMR, MS and elemental analysis.-

  17. Dynamic stereochemistry of erigeroside by measurement of 1H- 1H and 13C- 1H coupling constants

    Science.gov (United States)

    Tafazzoli, Mohsen; Ghiasi, Mina; Moridi, Mahdi

    2008-07-01

    Erigeroside was extracted from Satureja khuzistanica Jamzad (Marzeh Khuzistani in Persian, family of lamiaceae), and 1H, 13C, 13C{ 1H}, 1H- 1H COSY, HMQC and J-HMBC were obtained to identify this compound and determine a complete set of J-coupling constants ( 1JC-H, 2JC-H, 3JC-H and 3JH-H) values within the exocyclic hydroxymethyl group (CH 2OH) and anomeric center. In parallel, density functional theory (DFT) using B3LYP functional and split-valance 6-311++G** basis set has been used to optimized the structures and conformers of erigeroside. In all calculations solvent effects were considered using a polarized continuum (overlapping spheres) model (PCM). The dependencies of 1J, 2J and 3J involving 1H and 13C on the C 5'-C 6' ( ω), C 6'-O 6' ( θ) and C 1'-O 1' ( φ) torsion angles in erigeroside were computed using DFT method. Complete hyper surfaces for 1JC1',H1', 2JC5',H6'R, 2JC5',H6'S, 2JC6',H5', 3JC4',H6'R, 3JC4',H6'S and 2JH6'R-H5'S as well as 3JH5',H6'R were obtained and used to derive Karplus equations to correlate these couplings to ω, θ and φ. These calculated J-couplings are in agreement with experimental values. These results confirm the reliability of DFT calculated coupling constants in aqueous solution.

  18. (E-3-Methyl-6-(3-oxo-3-(thiophen-2-yl-1-propenyl-2(3H-benzothiazolone

    Directory of Open Access Journals (Sweden)

    Yordanka Ivanova

    2016-04-01

    Full Text Available The title compound, (E-3-methyl-6-(3-oxo-3-(thiophen-2-yl-1-propenyl-2(3H-benzothiazolone, was synthesized by Claisen-Schmidt condensation of 3-methyl-2(3H-benzothiazolone-6-carbaldehyde with 2-acetylthiophene in 94% yield. The structure of the target compound was confirmed using 1H-NMR, 13C-NMR, IR, MS, and elemental analysis.

  19. Structure of Ln2(PO3H)3.H2O (Ln=Pr, Nd)

    International Nuclear Information System (INIS)

    Dipraseodymium triphosphite monohydrate, Pr2(PO3H)3.H2O, Mr=539.8, monoclinic, P21/n, a=9.620(2), b=8.005(1), c=13.119(2) A, β=108.98(1)deg, V=955.4(3) A3, Z=4, Dm=3.72(1), Dx=3.754 Mg m-3, λ(Mo Kα)=0.71073 A, μ=10.68 mm-1, F(000)=992, T=293 K, R=0.025 for 1947 independent reflections. Dineodymium triphosphite monohydrate, Nd2(PO3H)3.H2O, Mr=546.4, monoclinic, P21/n, a=9.581(2), b=7.980(2), c=13.056(3) A, β=108.95(1)deg, V=944.2(4) A3, Z=4, Dm=3.81(1), Dx=3.845 Mg m-3, λ(Mo Kα)=0.71073 A, μ=11.51 mm-1, F(000)=1000, T=293 K, R=0.0305 for 1992 independent reflections. The structure contains three independent phosphite anions. Both Ln3+ are eight-coordinated: One by eight O atoms of six different phosphite anions, but the other by only seven O atoms of six different phosphite anions and one water O atom. (orig.)

  20. Uptake of [3H]-nicotine and [3H]-noradrenaline by cultured chromaffin cells.

    Science.gov (United States)

    Ceña, V.; García, A. G.; Montiel, C.; Sánchez-García, P.

    1984-01-01

    Three day-old cultured bovine adrenal chromaffin cells incubated at room temperature with Krebs-HEPES solution containing different concentrations of [3H]-nicotine, took up and retained increasing amounts of the drug by a mechanism that did not saturate. Concentrations of cold nicotine as high as 100 microM did not alter the amount of [3H]-nicotine retained by cells. Imipramine, cocaine, tetracaine or mecamylamine, at concentrations (10 microM) that blocked the catecholamine secretory effects of nicotine completely, did not modify the uptake of [3H]-nicotine. Both imipramine and cocaine drastically inhibited [3H]-noradrenaline uptake by cells in a concentration-dependent manner (IC50S of 0.08 and 1 microM, respectively). These data indicate that the secretory effects of nicotine are not coupled to its previous uptake into cells, and are evidence in favour of a site of action for nicotine located in or at the surface of the chromaffin cell membrane. PMID:6704577

  1. Photodisintegration of /sup 3/H and /sup 3/He. [Threshold to 25 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Faul, D.D.

    1980-09-01

    The photoneutron cross sections for /sup 3/H and /sup 3/He have been measured from threshold to approx. 25 MeV with monoenergetic photons from the annihilation in flight of fast positrons at the LLL Electron-Positron Linear Accelerator facility. These reactions include the two-body breakup of /sup 3/H and the three-body breakup of both /sup 3/H and /sup 3/He; these measurements for /sup 3/H are the first to span the energy region across the peaks of the cross sections. An efficient BF/sub 3/-tube-and-paraffin neutron detector and high-pressure gaseous samples of several moles each (the activity of the /sup 3/H sample was approx. 200,000 Ci) were employed in these measurements. Measurements on /sup 16/O and /sup 2/H also were performed to verify the absolute cross-section scale. The results, when compared with each other and with results for the two-body breakup cross section for /sup 3/He from the literature, show that the two-body breakup cross sections for /sup 3/H and /sup 3/He have nearly the same shape, but the one for /sup 3/He lies lower in magnitude; the three-body breakup cross section for /sup 3/He lies higher in magnitude and is broader in the peak region and also rises less sharply from threshold than that for /sup 3/H; and these measured differences between the cross sections for the breakup modes largely compensate in their sum, so that the total photon absorption cross sections for /sup 3/H and /sup 3/He are nearly the same in both size and shape at energies near and above their peaks. Theoretical results from the literature disagree with the experimental results to a certain extent over the entire photon-energy region for which the photoneutron cross sections were measured. 50 figures, 7 tables.

  2. Synthetic studies towards putative yuremamine using an iterative C(sp(3))-H arylation strategy.

    Science.gov (United States)

    Calvert, Matthew B; Sperry, Jonathan

    2016-06-28

    An overview of an iterative, 8-aminoquinoline (AQ)-directed C(sp(3))-H arylation strategy towards the pyrroloindole structure initially assigned to the alkaloid yuremamine is described. During initial efforts using a model indane system, it was discovered that the iodoresorcinol unit was not a viable C(sp(3))-H arylation partner when masked as its dimethyl ether but upon switching to a MOM group, the ether oxygen served to stabilise the high valent Pd intermediate during the reaction, thus promoting reductive elimination and leading to acceptable yields of the C(sp(3))-H arylation product. The second C(sp(3))-H arylation with an iodopyrogallol gave a 1,3-diarylated model yuremamine system possessing the desired 1,3-cis relationship. When the successful model studies were applied to a pyrroloindole system in pursuit of yuremamine, it became apparent that C9 underwent competing C(sp(2))-H arylation if left vacant, but installing a tryptamine side chain at this site prevented the desired C(sp(3))-H arylation from occurring altogether. However, a C9-methyl pyrroloindole underwent iterative C(sp(3))-H arylation at C1 with an iodoresorcinol followed by C3 with an iodopyrogallol to give a diarylated product with the aryl groups in the undesired 1,3-trans-relationship, arising from epimerisation at C1 during the second C(sp(3))-H arylation event. Although the synthesis of putative yuremamine was not accomplished, several findings are disclosed that will serve as useful additions to the burgeoning field of directed C(sp(3))-H arylations and related C-H functionalization reactions. PMID:26891188

  3. 一类2(1H)-喹喔啉衍生物的紫外光谱研究%Study on the Ultraviolet Spectrum in a Series of 2(1H)-Quinoxalin-2-one Derivatives

    Institute of Scientific and Technical Information of China (English)

    杨小兵; 丁松涛; 王安邦; 杨裕生

    2003-01-01

    研究了一类喹喔啉衍生物,1-烷基-3-甲基-2(1H)-喹喔啉-2-酮(1-alkyl-3-methyl-2(1H)-quinoxalin-2-one,简称AMQ, 其中alkyl =H, CH3, C2H5,n-C3H7,n-C5H11,n-C16H33)的紫外吸收光谱.这类化合物可应用于药物,如用作α-氨基羟甲基异恶唑丙酸(AMPA)受体拮抗剂、杀菌剂等;还可用作植物生长调节剂、荧光探针等领域.结果表明:化合物中氮原子上烷基链的增长对该类喹喔啉衍生物的紫外吸收光谱基本没有影响,谱图中峰形大体相同.紫外吸收谱图中,在327和340 nm左右有两个吸收强度相当的一对肩峰,280 nm处有一个吸收强度稍弱的峰;340 nm左右的吸收峰主要是n→Π*跃迁所致,其中也含有Π→Π*跃迁的成分;327和280 nm左右强吸收峰是Π→Π*跃迁所致.

  4. Differential binding of /sup 3/H-imipramine and /sup 3/H-mianserin in rat cerebral cortex

    Energy Technology Data Exchange (ETDEWEB)

    Dumbrille-Ross, A.; Tang, S.W.; Coscina, D.V.

    1981-11-16

    Drug competition profiles, effect of raphe lesion, and sodium dependency of the binding of two antidepressant drugs /sup 3/H-imipramine and /sup 3/H-mianserin to rat cerebral cortex homogenate were compared to examine whether the drugs bound to a common ''antidepressant receptor.'' Of the neurotransmitters tested, only serotonin displaced binding of both /sup 3/H-imipramine and /sup 3/H-mianserin. /sup 3/H-Mianserin binding was potently displaced by serotonin S/sub 2/ antagonists and exhibited a profile similar to that of /sup 3/H-spiperone binding. In the presence of the serotonin S/sub 2/ antagonist spiperone, antihistamines (H/sub 1/) potently displaced /sup 3/H-mianserin binding. /sup 3/H-Imipramine binding was displaced potently by serotonin uptake inhibitors. The order of potency of serotonergic drugs in displacing /sup 3/H-imipramine binding was not similar to their order in displacing /sup 3/H-spiperone or -3H-serotonin binding. Prior midbrain raphe lesions greatly decreased the binding of /sup 3/H-imipramine but did not alter binding of /sup 3/H-mianserin. Binding of /sup 3/H-imipramine but not /sup 3/H-mianserin was sodium dependent. These results show that /sup 3/H-imipramine and /sup 3/H-mianserin bind to different receptors. /sup 3/H-Imipramine binds to a presynaptic serotonin receptor which is probably related to a serotonin uptake recognition site, the binding of which is sodium dependent. /sup 3/H-Mianserin binds to postsynaptic receptors, possibly both serotonin S/sub 2/ and histamine H/sub 1/ receptors, the binding of which is sodium independent.

  5. The serum 14C-triolein/3H-oleic acid assimilation test for differential diagnosis of maldigestion and malabsorption

    International Nuclear Information System (INIS)

    In 125 consecutive patients the measurement of serum radioactivities after simultaneous ingestion of 14C-triolein and 3H-oleic acid was investigated as a test of lipid assimilation. The sum of the 2-h and 4-h concentrations of 14C in serum (se(2+4)14C) was most useful as an index of lipid assimilation, and the 2-h serum 3H/14C ratio (se-3H/14C) reflected lipid digestion. Normal values were se(2+4)14C >= 1.0% of the dose ingested per litre serum and se-3H/14C14C correlated significantly with faecal fat (r = -0.56, P 7 g/day. False-negative values appeared mainly in the patients with moderate steatorrhoea and gastrointestinal anastomoses. Only one false-positive se(2+4)14C value was found. Se-3H/14C was abnormal in 24 of the 34 patients with maldigestion with two false-positive results. When the results of se(2+4)14C and se-3H/14C were combined, the predictive value of the test result '' normal lipid assimilation'' was 0.75, that of the test result ''maldigestion'' was 0.93 and that of ''malabsorption'' 0.71. It is concluded that the serum 14C-triolein/3H-oleic acid assimilation test is convenient and inexpensive and may be useful when quantitative faecal collections are not available

  6. [3H]Clonazepam, like [3H]flunitrazepam, is a photoaffinity label for the central type of benzodiazepine receptors

    International Nuclear Information System (INIS)

    [3H]Clonazepam, like [3H]flunitrazepam, is irreversibly bound to membrane proteins of brain tissue when exposed to UV light. In polyacrylamide gel electrophoresis followed by fluorography, the same pattern of photolabelled proteins was obtained in cerebellum and in hippocampus when either [3H]clonazepam or [3H]flunitrazepam was used as photoaffinity label. Since [3H]clonazepam does not interact with the peripheral type of benzodiazepine binding site present in the brain, these results confirm previous evidence that the proteins photolabelled with [3H]flunitrazepam are associated with the central type of benzodiazepine receptor. (Auth.)

  7. Intense laser induced field ionization of C2H2, C2H4,and C2H6

    Institute of Scientific and Technical Information of China (English)

    GAO Lirong; JI Na; XONG Yijia; TANG Xiaoping; KONG Fan'ao

    2003-01-01

    Using HOMO Field Ionization Model, the tunneling probabilities and the theoretical threshold intensities of the field ionizations of acetylene, ethylene, and ethane in intense laser field are calculated. C2H2, C2H4, and C2H6 were irradiated by 800 nm, 100 fs laser pulses with the intensity range of 1013-1014 W/cm2. A TOF-mass spectrometer was coupled to the laser system and used to experimentally investigate the field ionization of these molecules. The experimental ionization threshold intensities are obtained. The calculating results of the three molecules agree well with the experimental results, indicating that HOMO Field Ionization Model is valid for the ionization of polyatomic molecules in intense laser field.

  8. Anomalous Absorption in Cyclic C$_3$H Radical

    CERN Document Server

    Chandra, S; Chandra, Suresh

    2003-01-01

    Yamamoto et al. (1987) reported the first detection of $c$-C$_3$H radical in {TMC-1} through its transition $2_{1 2} \\to 1_{1 1}$ at 91.5 GHz. Mangum and Wootten (1990) detected $c$-C$_3$H through the transition $1_{1 0} \\to 1_{1 1}$ at 14.8 GHz in 12 additional galactic objects. The column density of $c$-C$_3$H in the objects was estimated to be about one order of magnitude lower than that of the C$_3$H$_2$ which is ubiquitous in the galactic objects. The most probable production mechanism of both the C$_3$H and C$_3$H$_2$ in dark clouds is a common dissociation reaction of C$_3$H$_3^+$ ion (Adams & Smith, 1987). Although the $c$-C$_3$H is 0.8 eV less stable than its isomer $l$-C$_3$H, finding of comparable column densities of both the isomers in {TMC-1} supports the idea of comparable formation of both the $c$-C$_3$H and $l$-C$_3$H in the cosmic objects. Existence of a metaisomer in interstellar condition is a well known phenomenon in astronomy. We propose that $c$-C$_3$H may be identified through the t...

  9. Pressure Effects on Product Channels of the Allyl Radical Reactions; C3H5+C3H5 and C3H5+CH3

    Science.gov (United States)

    Halpern, J. B.; N'Doumi, M.; Fahr, A.

    2011-12-01

    Relatively large hydrocarbon molecules (C4, C6 and larger) have been detected in several planetary environments. The mechanism for the formation of such large molecular species and detailed mechanism for their potential destruction are not well understood and are of considerable current interest. Previously we have studied the kinetics and product channels of small unsaturated hydrocarbon radical (C2 and C3s) reactions relevant to planetary atmospheric modeling. Reactions of C2 radicals (such as vinyl, H2CCH and ethynyl C2H) and C3 radicals (such as propargyl, HCCCH2) can affect the abundances of a large number of stable observable C3, C4, C5, C6 and larger molecules, including linear, aromatic and even poly aromatic molecules. Pressure-dependent product yields have been determined experimentally for the self- and cross-radical reactions performed at 298 K and at pressures between ~4 Torr (0.5 kPa) and 760 Torr (101 kPa). Final reaction products were quantitatively determined using a gas chromatograph with mass spectrometry/flame ionization detection (GC/MS/FID). In some cases complementary computational studies extended the pressure and temperature range of the experiments and provided valuable information on the complex reaction mechanisms. Theses studies provide a systematic framework so that important energetic and structural parameters for radical-radical reactions can be assessed. Here we report recent results for the allyl radical reactions H2CCCH3+ H2CCCH3 and H2CCCH3+CH3. For the allyl radical self-reaction, at high pressures the "head -to-head", combination channel forming 1,5-hexadiene is dominant with a combination/disproportionation = 1,5-hexadiene/propyne ratio of about 24 at 500 Torr (67 kPa, T=298K). At low pressures the ratio is substantially reduced to about 1.2 (at 0.3 kPa) and other major products are observed including allene, propene, 1-butene and propyne.

  10. Nd(III) and Dy(III) coordination compounds based on 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and catalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Li Qiaoyun; Chen Dianyu; He Minghua [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Yang Gaowen, E-mail: ygwsx@126.com [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Shen Lei; Zhai Chun; Shen Wei; Gu Kun; Zhao Jingjing [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China)

    2012-06-15

    Reactions of 1H-tetrazolate-5-acetic acid(H{sub 2}tza) with Nd(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O or Dy(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O with the presence of KOH under solvothermal conditions, produced two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)]. Both compounds were structurally characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. Compounds 1 and 2 reveal 1D structures via bridging tza as linker. Furthermore, the compounds 1 and 2 showed a specific and good catalytic behavior for the polymerization of styrene, and the polymerization showed controlled characteristics. - Graphical Abstract: Two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)] have been synthesis. 1 and 2 reveal 1D structures via bridging tza as linker, and showed a specific and good catalytic behavior for the polymerization of styrene. Highlights: Black-Right-Pointing-Pointer we have reported two novel compounds formed by H{sub 2}tza and Nd(III) or Dy(III). Black-Right-Pointing-Pointer Compounds 1 and 2 were found to have catalysis property for the photo-polymerization of styrene. Black-Right-Pointing-Pointer The high molecular weight polymers with narrow molecular weight distributions were obtained.

  11. Anionic ordering and thermal properties of FeF3·3H2O.

    Science.gov (United States)

    Burbano, Mario; Duttine, Mathieu; Borkiewicz, Olaf; Wattiaux, Alain; Demourgues, Alain; Salanne, Mathieu; Groult, Henri; Dambournet, Damien

    2015-10-01

    Iron fluoride trihydrate can be used to prepare iron hydroxyfluoride with the hexagonal-tungsten-bronze (HTB) type structure, a potential cathode material for batteries. To understand this phase transformation, a structural description of β-FeF3·3H2O is first performed by means of DFT calculations and Mössbauer spectroscopy. The structure of this compound consists of infinite chains of [FeF6]n and [FeF2(H2O)4]n. The decomposition of FeF3·3H2O induces a collapse and condensation of these chains, which lead to the stabilization, under specific conditions, of a hydroxyfluoride network FeF3-x(OH)x with the HTB structure. The release of H2O and HF was monitored by thermal analysis and physical characterizations during the decomposition of FeF3·3H2O. An average distribution of FeF4(OH)2 distorted octahedra in HTB-FeF3-x(OH)x was obtained subsequent to the thermal hydrolysis/olation of equatorial anionic positions involving F(-) and H2O. This study provides a clear understanding of the structure and thermal properties of FeF3·3H2O, a material that can potentially bridge the recycling of pickling sludge from the steel industry by preparing battery electrodes. PMID:26378743

  12. Synthesis of psilocin labelled with 14C and 3H

    International Nuclear Information System (INIS)

    14C- and 3H-labelled psilocin (4-hydroxy-N,N-dimethyl-tryptamine), the principal, active agent of hallucinogenic mushrooms, was synthesized from 2-methyl-3-nitrophenol via 4-benzyloxyindole. 14C-Labelled potassium cyanide was reacted with 4-benzyloxygramine (obtained from 4-benzyloxyindole) to give 14C-4-benzyloxy-3-indole acetic acid, an intermediate for 14C-psilocin synthesis. 3H-Labelled lithium aluminium hydride was used to react with 4-benzyloxy-3-indole-N,N-dimethyl-glyoxylamide (obtained from 4-benzyloxyindole) to give 3H-4-benzyloxy-psilocin which was debenzylated to form 3H-psilocin. (author)

  13. Dissociative recombination of N2H+

    Science.gov (United States)

    dos Santos, S. Fonseca; Ngassam, V.; Orel, A. E.; Larson, Å.

    2016-08-01

    The direct and indirect mechanisms of dissociative recombination of N2H+ are theoretically studied. At low energies, the electron capture is found to be driven by recombination into bound Rydberg states, while at collision energies above 0.1 eV, the direct capture and dissociation along electronic resonant states becomes important. Electron-scattering calculations using the complex Kohn variational method are performed to obtain the scattering matrix as well as energy positions and autoionization widths of resonant states. Potential-energy surfaces of electronic bound states of N2H and N2H+ are computed using structure calculations with the multireference configuration interaction method. The cross section for the indirect mechanism is calculated using a vibrational frame transformation of the elements of the scattering matrix at energies just above the ionization threshold. Here vibrational excitations of the ionic core from v =0 to v =1 and v =2 for all three normal modes are considered and autoionization is neglected. The cross section for the direct dissociation along electronic resonant states is computed with wave-packet calculations using the multiconfiguration time-dependent Hartree method, where all three internal degrees of freedom are considered. The calculated cross sections are compared to measurements.

  14. Synthesis and Characterization of Tungstite (WO3.H2O) Nanoleaves and Nanoribbons

    OpenAIRE

    Ahmadi, Majid; Guinel, Maxime J-F

    2013-01-01

    An environmentally benign method capable of producing large quantities of materials was used to synthesize tungstite (WO3.H2O) leaf-shaped nanoplatelets (LNPs) and nanoribbons (NRs). These materials were simply obtained by aging of colloidal solutions prepared by adding hydrochloric acid (HCl) to dilute sodium tungstate solutions (Na2WO4.2H2O) at a temperature of 5-10oC. The aging medium and the pH of the precursor solutions were also investigated. Crystallization and growth occurred by Ostwa...

  15. Synthesis of [3H]FPL 64176, a potent calcium channel activator

    International Nuclear Information System (INIS)

    Tritium labelled FPL 64176 (1, methyl 2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylate), a potent calcium channel activator with insulinotropic properties was synthesized from the corresponding bromo derivative (3) using tritium gas and Pd/C catalyst. (3) was in turn prepared from methyl 2,5-dimethylpyrrole-3-carboxylate (4) in a one pot procedure. The specific activity of [3H]FPL 64176 was 38 mCi/mmol and radiochemical purity >98%. (Author)

  16. catena-Poly[[(diiodidocadmium-μ-{1-[(1H-benzimidazol-2-ylmethyl]-1H-imidazole-κ2N:N′}] N,N-dimethylformamide monosolvate

    Directory of Open Access Journals (Sweden)

    Bingtao Liu

    2011-12-01

    Full Text Available In the title complex, {[CdI2(C11H10N4]·C3H7NO}n, the CdII ion is four-coordinated by two N atoms from two 1-[(1H-benzimidazol-1-ylmethyl]-1H-imidazole (bmi ligands and by two terminal I− anions in a distorted tetrahedral geometry. One of the two I− anions is disordered over two sets of sites, with refined occupancies of 0.66 (5 and 0.34 (5. The CdII ions are bridged by bmi ligands, leading to the formation of a chain along [001]. Dimethylformamide solvent molecules are located between these chains. Classical N—H...O hydrogen bonding between the bmi ligands and the solvent molecules leads to a consolidation of the structure.

  17. Protein kinase C-α mediates TNF release process in RBL-2H3 mast cells

    OpenAIRE

    Abdel-Raheem, Ihab T; Hide, Izumi; Yanase, Yuhki; Shigemoto-Mogami, Yukari; SAKAI, Norio; Shirai, Yasuhito; Saito, Naoaki; Hamada, Farid M; El-Mahdy, Nagh A; Elsisy, Alaa El-Din E; Sokar, Samya S; Nakata, Yoshihiro

    2005-01-01

    To clarify the mechanism of mast cell TNF secretion, especially its release process after being produced, we utilized an antiallergic drug, azelastine (4-(p-chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)- phthalazinone), which has been reported to inhibit TNF release without affecting its production in ionomycin-stimulated RBL-2H3 cells.Such inhibition was associated with the suppression of an ionomycin-induced increase in membrane-associated PKC activity rather than the suppressi...

  18. Accumulation and overflow of 3H following incubation of the guinea-pig gall bladder with [3H]-noradrenaline

    OpenAIRE

    Doggrell, Sheila A.; Vincent, Lynn

    1980-01-01

    1 Strips of guinea-pig gall bladder readily accumulate 3H following incubation in the presence of 5 × 10-8 M (-)-[3H]-noradrenaline. This accumulation was reduced by lowering the incubation temperature (from 37° to 23°C), by cocaine (10-6 M), by nortriptyline (10-8, 10-6 and 10-4 M) and following incubation of the tissues with 6-hydroxydopamine (10-3 M for 3 h). At 10-6 M, (-)-noradrenaline and (-)-adrenaline, but not (-)-isoprenaline, inhibited the accumulation of 3H.

  19. Sodium modulation of 3H-agonist and 3H-antagonist binding to alpha 2-adrenoceptor subtypes.

    OpenAIRE

    MacKinnon, A. C.; Spedding, M.; Brown, C. M.(University of Victoria, V8W 3P6, Victoria, British Columbia, Canada)

    1993-01-01

    1. The alpha 2-adrenoceptors on human platelets and neonatal rat lung were characterized with the agonist and antagonist ligands [3H]-adrenaline and [3H]-RS-15385-197 respectively. A correlation of affinities for 3H-antagonist binding showed the receptors to be of the alpha 2A-(platelet) and alpha 2B-(neonatal rat lung) adrenoceptor subtypes, whereas a correlation of affinities for 3H-agonist binding showed the receptors to have similar characteristics (r = 0.88). 2. NaCl (100 mM) had no effe...

  20. Group theoretical analysis of the H3+ +H2 ↔ H5+ reaction

    Science.gov (United States)

    Lin, Zhou

    2016-06-01

    The H3+ +H2 →H2 + H3+ proton transfer reaction is complicated due to the proton scrambling from the large amplitude motions in the H5+ intermediate. In order to understand this reaction, high-resolution spectroscopic studies are necessary for the reactants/products and the intermediate, and the group theoretical analysis is an essential aspect in the prediction and interpretation of these spectra. With five indistinguishable protons, H5+ is characterized using the G240 complete nuclear permutation-inversion (CNPI) group. For most of the configurations sampled by the reaction path, the feasible permutations depend on the distance between the H3+ and H2 fragments. Subgroups of G240 can be used to describe these feasible permutations. Specifically, we consider two limits of the molecular configurations. The equilibrium structure of H5+ , i.e., [H2 -H -H2 ]+, can be described using the G16 molecular symmetry group, while the dissociation products, i.e., H3+ ⋯H2 , require the G24 molecular symmetry group. In the present study, a group theoretical analysis is performed for both limits, providing the symmetries for the nuclear spins and rovibrational wave functions. Also, spectroscopic properties for [H2 -H -H2 ]+, particularly rovibrational couplings and electric dipole selection rules, as well as correlations of energy levels between [H2 -H -H2 ]+ and H3+ ⋯H2 , are obtained.

  1. Main: 1V3H [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1V3H 大豆 Soybean Glycine max (L.) Merrill Beta-Amylase Name=Bmy1; Glycine Max Molecule: Beta-Amylase; Chai... 495 AA, Molecular weight: 56011 Da ATSDSNMLLNYVPVYVMLPLGVVNVDNVFEDPDGLKEQLLQLRAAGVDGVMVDVWWGIIELKGPKQYDWRAYRSLFQLVQECGLTLQAI...MSFHQCGGNVGDIVNIPIPQWVLDIGESNHDIFYTNRSGTRNKEYLTVGVDNEPIFHGRTAIEIYSDYMKSFRENMSDFLESGLIIDIEVG...FLTWYSNKLLNHGDQILDEANKAFLGCKVKLAIKVSGIHWWYKVENHAAELTAGYYNLNDRDGYRPIARMLSRHHAILNFTCLEMRDSEQPSDAKSGPQELVQQVLSG...GWREDIRVAGENALPRYDATAYNQIILNAKPQGVNNNGPPKLSMFGVTYLRLSDDLLQKSNFNIFKKFVLKMHADQDYCANPQKYNHAITPLKPSAPKIPIEVLLEATKPTLPFPWLPETDMKVDG soybean_1V3H.jpg ...

  2. Synthesis and antimicrobial activities of new oxime carbamates of 3-aryl-2-thioquinazolin-4(3H)-one

    Indian Academy of Sciences (India)

    Suresh S Patil; Swati D Jadhav; M B Deshmukh

    2012-09-01

    S-alkylation of 3-aryl-2-thioquinazolin-4(3H)-one (1) with chloroacetone gave 2-(propanonyl thio)-3-arylquinazol-4(3H)ones (2). Further, the treatment of compound (2) with hydroxylamine hydrochloride gave the corresponding oximes (3) which on reaction with phenyl isocyanate in THF yielded corresponding oxime carbamates 4. The synthesized compounds have been confirmed using IR and 1H NMR, mass spectral data together with elemental analysis. All newly synthesized compounds have been tested for their antibacterial and antifungal activities.

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

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yuhong; Meng, Xiangru; Wen, Yu; Li, Peng; Ma, Lin [Zhengzhou Univ. (China). College of Chemistry and Molecular Engineering; Zhang, Qiuju [Zhengzhou Univ. (China). Clinical Testing Section

    2015-11-01

    Two new complexes, {[Cd(immb)I_2].DMF}{sub n} (1) and {[Cd_3(immb)(btc)_2]. H_2O}{sub 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{sub 2}-η{sup 2}:η{sup 1} bonding pattern leading to a 2D structure. Luminescent properties have been investigated in the solid state at room temperature.

  4. Tetraaqua{1-[(1H-1,2,3-benzotriazol-1-ylmethyl]-1H-1,2,4-triazole}sulfatozinc(II dihydrate

    Directory of Open Access Journals (Sweden)

    Yan-Zhi Wang

    2010-11-01

    Full Text Available In the title complex, [Zn(SO4(C9H8N6(H2O4]·2H2O, the ZnII ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-ylmethyl]-1H-1,2,4-triazole ligand and five O atoms from one monodentate sulfate anion and four water molecules in a distorted octahedral geometry. The sulfate tetrahedron is rotationally disordered over two positions in a 0.618 (19:0.382 (19 ratio. In the crystal, adjacent molecules are linked through O—H...O and O—H...N hydrogen bonds involving the cation, the anion, and the coordinated and uncoordinated water molecules into a three-dimensional network.

  5. Tetraaqua{1-[(1H-1,2,3-benzotriazol-1-ylmethyl]-1H-1,2,4-triazole}sulfatocadmium dihydrate

    Directory of Open Access Journals (Sweden)

    Yu-xian Li

    2011-09-01

    Full Text Available In the title complex, [Cd(SO4(C9H8N6(H2O4]·2H2O, the CdII ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-ylmethyl]-1H-1,2,4-triazole ligand and by five O atoms from four water molecules and one monodentate sulfate anion in a distorted octahedral geometry. The sulfate tetrahedron is rotationally disordered over two positions in a 0.651 (12:0.349 (12 ratio. In the crystal, adjacent molecules are linked through O—H...O and O—H...N hydrogen bonds into a three-dimensional network.

  6. CCQE, 2p2h excitations and \

    CERN Document Server

    Nieves, J; Sánchez, F; Vacas, M J Vicente

    2013-01-01

    We analyze the MiniBooNE muon neutrino CCQE-like d\\sigma/dT_\\mu/dcos\\theta_\\mu data using a theoretical model that, among other nuclear effects, includes RPA correlations and 2p2h (multinucleon) mechanisms. These corrections turn out to be essential for the description of the data. We find that MiniBooNE CCQE-like data are fully compatible with former determinations of the nucleon axial mass M_A ~ 1.05 GeV. This is in sharp contrast with several previous analysis where anomalously large values of M_A ~ 1.4 GeV have been suggested. We also show that because of the the multinucleon mechanism effects, the algorithm used to reconstruct the neutrino energy is not adequate when dealing with quasielastic-like events. Finally, we analyze the MiniBooNE unfolded cross section, and show that it exhibits an excess (deficit) of low (high) energy neutrinos, which is an artifact of the unfolding process that ignores 2p2h mechanisms.

  7. Synthesis and Molecular Structure of 1,5,1',5'-Tetraphenyl-1H,1H'-3,3'-dialkylthio-bi-1,2,4-triazole

    Institute of Scientific and Technical Information of China (English)

    JIANG Wen-Qing; LIU Tian-Bao; ZOU Jian-Ping; ZHANG Yong

    2007-01-01

    The title compound 1,5,1',5'-tetraphenyl-1H,1H'-3,3'-dialkylthio-bi-1,2,4-triazole (2, C28H20N6S2, Mr=504.62) was prepared by the reaction of 1-benzoyl-3-phenylaminothiourea 1 and Mn(OAc)3·2H2O in acetic acid under microwave irradiation. The crystal is of monoclinic, space group P21/c with a=11.3931(10), b=16.5787(14), c=26.470(2) (A), β=98.274(2)°, Z=8, V=4947.8(8) (A)3, Dc=1.355 g/cm3, μ(MoKα) (A) 0.245 mm-1, F(000)=2096, the final R=0.0583 and Wr=0.1502 for 8705 observed reflections (Ⅰ > 2σ(Ⅰ)). X-ray analysis reveals that the title compound is 1,5,1',5'-tetraphenyl-1H,1H'-3,3'-dialkylthio-bi-1,2,4-triazole, and its formation mechanism was proposed.

  8. Quinolone-1-(2H)-ones as hedgehog signalling pathway inhibitors.

    Science.gov (United States)

    Trinh, Trieu N; McLaughlin, Eileen A; Abdel-Hamid, Mohammed K; Gordon, Christopher P; Bernstein, Ilana R; Pye, Victoria; Cossar, Peter; Sakoff, Jennette A; McCluskey, Adam

    2016-07-14

    A series of quinolone-2-(1H)-ones derived from the Ugi-Knoevenagel three- and four-component reaction were prepared exhibiting low micromolar cytotoxicity against a panel of eight human cancer cell lines known to possess the Hedgehog Signalling Pathway (HSP) components, as well as the seminoma TCAM-2 cell line. A focused SAR study was conducted and revealed core characteristics of the quinolone-2-(1H)-ones required for cytotoxicity. These requirements included a C3-tethered indole moiety, an indole C5-methyl moiety, an aliphatic tail or an ester, as well as an additional aromatic moiety. Further investigation in the SAG-activated Shh-LIGHT2 cell line with the most active analogues: 2-(3-cyano-2-oxo-4-phenylquinolin-1(2H)-yl)-2-(1-methyl-1H-indol-3-yl)-N-(pentan-2-yl)acetamide (5), 2-(3-cyano-2-oxo-4-phenylquinolin-1(2H)-yl)-2-(5-methyl-1H-indol-3-yl)-N-(pentan-2-yl)acetamide (23) and ethyl (2-(3-cyano-2-oxo-4-phenylquinolin-1(2H)-yl)-2-(5-methyl-1H-indol-3-yl)acetyl)glycinate (24) demonstrated a down regulation of the HSP via a reduction in Gli expression, and in the mRNA levels of Ptch1 and Gli2. Analogues 5, 23 and 24 returned in cell inhibition values of 11.6, 2.9 and 3.1 μM, respectively, making this new HSP-inhibitor pharmacophore amongst the most potent non-Smo targeted inhibitors thus far reported. PMID:27272335

  9. Catalytic synthesis of 5-ethoxycarbonyl-4-(4-hydroxyphenyl)-6-methyl-3,4-dihydropyrimidine-2(1H)-ketone with H6P2W18O62/SiO2%H6P2W18O62/SiO2催化合成5-乙氧羰基-4-(4-羟基苯基)-6-甲基-3,4-二氢嘧啶-2(1H)-酮

    Institute of Scientific and Technical Information of China (English)

    刘晓霞; 肖欢; 杨水金

    2015-01-01

    5-Ethoxycarbonyl-4-(4-hydroxyphenyl)-6-methyl-3,4-dihydropyrimidine-2(1H)-ketone was synthesized by using H6P2W18O62/SiO2 as the catalyst and p-hydroxy benzaldehyde,ethyl acetoacetate and urea as raw materials. Catalytic activity of this reaction using H6P2W18O62/SiO2 as the catalyst was explored. The effects of reaction on the yield of the product were investigated and the optimum conditions were determined as follows:fixing p-hydroxy benzaldehyde consumption is 0.04 mol,n(p-hydroxy benzaldehyde):n(ethyl acetoacetate):n(urea)=1∶1.5∶1.5,the mass ratio of the catalyst to total reactant is 1.5%,the reaction temperature is 80℃, and the reaction time is 1.0 h. The yield of the product was up to 94.4%.%采用H6P2W18O62/SiO2为催化剂,以对羟基苯甲醛、乙酰乙酸乙酯、尿素为原料合成5-乙氧羰基-4-(4-羟基苯基)-6-甲基-3,4-二氢嘧啶-2(1H)-酮.探讨H6P2W18O62/SiO2对本反应的催化活性,较系统地研究了反应物物质的量比、催化剂用量、反应时间、反应温度四因素对产物收率的影响.实验表明:H6P2W18O62/SiO2是合成5-乙氧羰基-4-(4-羟基苯基)-6-甲基-3,4-二氢嘧啶-2(1H)-酮的良好催化剂;在n (对羟基苯甲醛)∶n (乙酰乙酸乙酯)∶n (尿素)=1∶1.5∶1.5,催化剂的用量占反应物料总质量的1.5%,反应温度为80℃,反应时间为60 min的最佳条件下,其收率可达94.4%.

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

    International Nuclear Information System (INIS)

    The rate constants k1 for Reaction (1): H+3+2H2 = H+5+H2 were measured in the temperature range 100--300 degreeK. The temperature dependence of k1 has the form k1proportionalT-/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 k1 at 300 degreeK obtained by Arifov and used by Porter. The present k1 (300 degreeK) =9times10-30 (cm6 molecules-2center-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 k1 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) cm3 molecules-1center-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

  11. Crystalline 1H-1,2,3-triazol-5-ylidenes

    Energy Technology Data Exchange (ETDEWEB)

    Bertrand, Guy; Gulsado-Barrios, Gregorio; Bouffard, Jean; Donnadieu, Bruno

    2016-08-02

    The present invention provides novel and stable crystalline 1H-1,2,3 triazolium carbenes and metal complexes of 1H-1,2,3 triazolium carbenes. The present invention also provides methods of making 1H-1,2,3 triazolium carbenes and metal complexes of 1H-1,2,3 triazolium carbenes. The present invention also provides methods of using 1H-1,2,3 triazolium carbenes and metal complexes of 1H-1,2,3 triazolium carbenes in catalytic reactions.

  12. An observational investigation of the identity of B11244 ($l$-C$_3$H$^+$/C$_3$H$^-$)

    CERN Document Server

    McGuire, Brett A; Gratier, Pierre; Guzmán, Viviana; Pety, Jerome; Roueff, Evelyne; Gerin, Maryvonne; Blake, Geoffrey A; Remijan, Anthony J

    2013-01-01

    Pety et al. (2012) have reported the detection of eight transitions of a closed-shell, linear molecule (B11244) in observations toward the Horsehead PDR, which they attribute to the $l$-C$_3$H$^+$ cation. Recent high-level \\textit{ab initio} calculations have called this assignment into question; the anionic C$_3$H$^-$ molecule has been suggested as a more likely candidate. Here, we examine observations of the Horsehead PDR, Sgr B2(N), TMC-1, and IRC+10216 in the context of both $l$-C$_3$H$^+$ and C$_3$H$^-$. We find no observational evidence of $K_a = 1$ lines which should be present were the carrier indeed C$_3$H$^-$. Additionally, we find a strong anti-correlation between the presence of known molecular anions and B11244 in these regions. Finally, we discuss the formation and destruction chemistry of C$_3$H$^-$ in the context of the physical conditions in the regions. Based on these results, we conclude there is little evidence to support the carrier is C$_3$H$^-$.

  13. KBS-3H Complementary studies, 2008-2010

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-10-15

    KBS-3H is a joint project between Svensk Kaernbraenslehantering AB (SKB) in Sweden and Posiva Oy in Finland. The main goal during the project phase Complementary studies of horizontal emplacement KBS-3H 2008-2010 was to develop KBS-3H to such a state that a decision to go ahead with full-scale testing and demonstration could be made. The KBS-3H design is a variant of the KBS-3 method and an alternative to the KBS-3V design. In KBS-3H multiple canisters containing spent nuclear fuel are emplaced in parallel, 100-300 m long, horizontal deposition drifts at a depth of about 400-500 m in the bedrock whereas the KBS-3V design calls for vertical emplacement of the canisters in individual deposition holes. Further development and evaluation of the main KBS-3H design alternatives developed in earlier work, DAWE (Drainage, Artificial Watering and air Evacuation) and STC (Semi Tight Compartments) (Autio el al. 2007) has now enabled a well-founded KBS-3H reference design selection, DAWE has been selected. Regarding long-term safety; bentonite-metal interactions have been in focus and studies have given a good basis for material selection for the Supercontainer, plugs and other supporting structures and titanium is selected. The selections and evaluations made during this project phase will be used in the safety evaluations planned for Forsmark and Olkiluoto in the upcoming project phase. KBS-3H specific production lines have been outlined and layout adaptations for both Forsmark and Olkiluoto have been developed. Full-scale tests of system components have also been carried out with good results; the full-scale compartment plug test shows the ability to install a plug that separates drift compartments hydraulically.

  14. ${}^3$H production via neutron-neutron-deuteron recombination

    OpenAIRE

    Deltuva, A; Fonseca, A.C.

    2013-01-01

    We study the recombination of two neutrons and deuteron into neutron and ${}^3$H using realistic nucleon-nucleon potential models. Exact Alt, Grassberger, and Sandhas equations for the four-nucleon transition operators are solved in the momentum-space framework using the complex-energy method with special integration weights. We find that at astrophysical or laboratory neutron densities the production of ${}^3$H via the neutron-neutron-deuteron recombination is much slower as compared to the ...

  15. KBS-3H complementary studies, 2008-2010

    International Nuclear Information System (INIS)

    KBS-3H is a joint project between Svensk Kaernbraenslehantering AB (SKB) in Sweden and Posiva Oy in Finland. The main goal during the project phase Complementary studies of horizontal emplacement KBS-3H 2008-2010 was to develop KBS-3H to such a state that a decision to go ahead with full-scale testing and demonstration could be made. The KBS-3H design is a variant of the KBS-3 method and an alternative to the KBS-3V design. In KBS-3H multiple canisters containing spent nuclear fuel are emplaced in parallel, 100-300 m long, horizontal deposition drifts at a depth of about 400-500 m in the bedrock whereas the KBS- 3V design calls for vertical emplacement of the canisters in individual deposition holes. Further development and evaluation of the main KBS-3H design alternatives developed in earlier work, DAWE (Drainage, Artificial Watering and air Evacuation) and STC (Semi Tight Compartments) (Autio el al. 2007) has now enabled a well-founded KBS-3H reference design selection, DAWE has been selected. Regarding long-term safety; bentonite-metal interactions have been in focus and studies have given a good basis for material selection for the Supercontainer, plugs and other supporting structures and titanium is selected. The selections and evaluations made during this project phase will be used in the safety evaluations planned for Forsmark and Olkiluoto in the upcoming project phase. KBS-3H specific production lines have been outlined and layout adaptations for both Forsmark and Olkiluoto have been developed. Full-scale tests of system components have also been carried out with good results; the full-scale compartment plug test shows the ability to install a plug that separates drift compartments hydraulically. (orig.)

  16. KBS-3H Complementary studies, 2008-2010

    International Nuclear Information System (INIS)

    KBS-3H is a joint project between Svensk Kaernbraenslehantering AB (SKB) in Sweden and Posiva Oy in Finland. The main goal during the project phase Complementary studies of horizontal emplacement KBS-3H 2008-2010 was to develop KBS-3H to such a state that a decision to go ahead with full-scale testing and demonstration could be made. The KBS-3H design is a variant of the KBS-3 method and an alternative to the KBS-3V design. In KBS-3H multiple canisters containing spent nuclear fuel are emplaced in parallel, 100-300 m long, horizontal deposition drifts at a depth of about 400-500 m in the bedrock whereas the KBS-3V design calls for vertical emplacement of the canisters in individual deposition holes. Further development and evaluation of the main KBS-3H design alternatives developed in earlier work, DAWE (Drainage, Artificial Watering and air Evacuation) and STC (Semi Tight Compartments) (Autio el al. 2007) has now enabled a well-founded KBS-3H reference design selection, DAWE has been selected. Regarding long-term safety; bentonite-metal interactions have been in focus and studies have given a good basis for material selection for the Supercontainer, plugs and other supporting structures and titanium is selected. The selections and evaluations made during this project phase will be used in the safety evaluations planned for Forsmark and Olkiluoto in the upcoming project phase. KBS-3H specific production lines have been outlined and layout adaptations for both Forsmark and Olkiluoto have been developed. Full-scale tests of system components have also been carried out with good results; the full-scale compartment plug test shows the ability to install a plug that separates drift compartments hydraulically

  17. Enantiospecific synthesis of (1- sup 3 H)-(+)-pseudoephedrine hydrochloride

    Energy Technology Data Exchange (ETDEWEB)

    Hill, J.A.; Scharver, J.D. (Burroughs Wellcome Co., Research Triangle Park, North Carolina (USA). Chemical Development Labs.)

    1990-06-01

    The naturally occurring dextrorotary enantiomer (+)-pseudoephedrine was synthesized in the ({sup 3}H)-labelled form with specific activity 17.5 Ci/mmol suitable for development of a radioimmunoassay procedure. The chirally specific route from L-alanine to (1-{sup 3}H)-d-pseudoephedrine hydrochloride was based on the use of {alpha}-amino acids as chiral educts for asymmetric products. (author).

  18. The structure and properties of 5,6-dinitro-1H-benzotriazole

    Science.gov (United States)

    Santa María, Dolores; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Alkorta, Ibon; Elguero, José

    2016-06-01

    5,6-Dinitro-1H-benzotriazole crystallizes in the monoclinic system, space group P21/c. The asymmetric unit contains the planar 1H-tautomer together with a water molecule of crystallization. Each water molecule is hydrogen bonded to three adjacent 5,6-dinitrobenzotriazoles forming a tape along the b-axis of the crystal. These tapes stack along the c-axis through hydrogen bonds involving the water molecules and one of the nitro groups leading to a bidimensional structure. Solid-state 13C and 15N CPMAS NMR allow to confirm that the tautomer present is the 1H one. In DMSO-d6 solution the results are quite different and, based on GIAO/B3LYP/6-311++G(d,p) calculations, lead us to conclude that the major tautomer is the 5,6-dinitro-2H-benzotriazole, a surprising result that contradicts the rule that the major tautomer in solution coincides with the one present in the crystal. An anhydrous pseudopolymorph of 5,6-dinitro-1H-benzotriazole has been obtained as a non-crystalline form and from solid-state NMR and theoretical calculations, we conclude that it is an 1H-tautomer.

  19. Theoretical Studies on the Reaction Mechanisms of C3H2 (cyclopropenylidene) and O(3P) Radicals

    Institute of Scientific and Technical Information of China (English)

    XlE Xiaohua; SHEN Wei; HE Rongxing; ZHANG Jinsheng; LI Ming

    2009-01-01

    The complex potential energy surface for the reaction of C3H2 (cyclopropenylidene) with O(3p) was explored computationally using a density functional and ab initio QCISD(T) methods. The geometries of all the stationary points (transition states, intermediates and products) were fully optimized at the B3LYP/6-311++G** computa-tional level, and the single point calculation including full population analysis was performed by employing QCISD(T). Our results show that the product P1 (C2H+HCO) is the major product, while the products P2 (C2H2+ CO) and P3 (HC3O+H) are minor products, as confirmed by experiment. Product P1 could be gained through the path: R→IM1→IM2→P1, and the C3H2+O(3P) reaction was expected to be rapid. So, the C3H2+O(3p) reaction may be an efficient strategy for producing C2H using cyclopropenylidene in atmosphere. The present results can lead us to understand deeply the mechanism of the title reaction.

  20. Main: 1U1H [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1U1H シロイヌナズナ Arabidopsis Arabidopsis thaliana (L.) Heynh. 5-Methyltetrahydropteroyl...ITIENSRSDEKLLSVFREGVKYGAGIGPGVYDIHSPRIPSSEEIADRVNKMLAVLEQNILWVNPDCGLKTRKYTEVKPALKNMVDAAKLIRSQLASAK arabi_1U1H.jpg ...

  1. Design and Synthesis of Novel 5-Sulfoxide-substituted Pyrazolo[5,1-d] [1,2,3,5]tetrazin-4(3H)ones

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    A series of novel 5-sulfoxide-substituted pyrazolo[5,1-d][1,2,3,5]tetrazin-4(3H)ones 4a-j were designed and efficiently synthesized via a diazotization of 5-amine-3-methylsulfinyl1H-pyrazole, followed by cycloaddition with aryl isocyanate. A possible reaction mechanism is outlined and discussed. These new compounds exhibit some biological activity as preliminary bioassay indicated. Their structures were confirmed with1 H NMR, IR and elemental analysis.

  2. Synthesis and Antiviral Bioactivities of 2-Aryl- or 2-Methyl-3-(substituted- Benzalamino-4(3H-quinazolinone Derivatives

    Directory of Open Access Journals (Sweden)

    Zhuo Chen

    2007-12-01

    Full Text Available A simple and general method has been developed for the synthesis of various4(3H-quinazolinone derivatives by the treatment of the appropriate 3-amino-2-aryl-4(3H-quinazolinone with a substituted benzaldehyde in ethanol. The structures of the compoundswere characterized by elemental analysis, IR, 1H-NMR and 13C-NMR spectra. The title 2-aryl- or 2-methyl-3-(substituted-benzalamino-4(3H-quinazolinone compounds III-1~III-31 were found to possess moderate to good antiviral activity. Semi-quantitative PCR andReal Time PCR assays were used to ascertain the target of action of compound III-31against TMV. The studies suggest that III-31 possesses antiviral activity due to inductionof up-regulation of PR-1a and PR-5, thereby inhibiting virus proliferation and movementby enhancement of the activity of some defensive enzyme.

  3. KBS-3H layout adaptation 2007 for the Olkiluoto site

    Energy Technology Data Exchange (ETDEWEB)

    Johansson, Erik; Hagros, Annika; Autio, Jorma; Kirkkomaeki, Timo (Saanio and Riekkola Oy, Helsinki (Finland))

    2008-05-15

    As part of the KBS-3H design an Olkiluoto-specific layout of a KBS-3H repository has been produced based on the latest Olkiluoto data and the bedrock model. One of the main goals of this work was to support the evaluation of the feasibility of the one layer KBS-3H concept and to compare the layouts based on the KBS-3H and KBS-3V disposal concepts. The layout presented in this work can be considered only preliminary and involves a number of uncertainties. The percentage of unusable host rock was assumed to be 25% in this work but can change due to the further design of the different components of the KBS-3H disposal system and further development of the host rock criteria. The layout is also significantly affected by the layout-determining fracture zones. In this work 11 major (highly transmissive) fracture zones interpreted to intersect the -420 m level were considered deterministically. The KBS-3H layout requires a larger area than the KBS-3V repository and takes up most of the available area between the major fracture zones HZ20 and HZ21. This is mainly due to the long drift sections occupied by the compartment plugs (30 m) and the bentonite blocks in the blank zones (10 m), which reduces the usability of the host rock and results in larger canister spacings than in the KBS-3V concept, where the positioning of the deposition holes is very flexible and narrow zones with a moderate transmissivity usually have only a minor effect on the locations of the canisters. According to the results, there is enough bedrock in the current investigation area at central Olkiluoto for KBS-3H layout in one layer. However the layout takes up nearly all of the potential bedrock resource and therefore the result is quite sensitive to possible changes in the design bases

  4. 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.

  5. Poly[[2-(3-pyridinio-1H,3H+-benzimidazolium] [μ4-oxido-di-μ3-oxido-tetra-μ2-oxido-hexaoxidotetramolybdenum(VI

    Directory of Open Access Journals (Sweden)

    Xiao-Hua Chen

    2009-05-01

    Full Text Available The reaction of MoO3 with 2-(3-pyridylbenzoimidazole and water in the presence of MnSO4·5H2O at 453 K under hydrothermal conditions afforded the title compound, {(C12H11N2[Mo4O13]}n, in which infinite molybdenum oxide anionic chains are charge-balanced by diprotonated 2-(3-pyridylbenzoimidazole (H23-PBIM2+ cations. Eight [MoO6] octahedra are edge-shared, forming compact octamolybdate subunits which are connected through pairs of Mo—O—Mo bridges into extended one-dimensional arrays propagating along the a-axis direction. The asymmetric unit of the metal oxide chain contains one half of the octamolybdate unit, denoted [Mo4O13], the other half being generated by an inversion center. These molybdenum oxide chains are further connected through the 2-(3-pyridiniobenzoimidazolium cations into a three-dimensional network via N—H...O hydrogen bonds. In addition, neighbouring diprotonated cations are arranged in a head-to-tail fashion with a plane-to-plane separation of 3.63 (10 Å, indicating the existence of weak aromatic π–π stacking interactions.

  6. Crystal structure of 5-[bis(methylsulfonylmethyl]-1,3-dimethyl-5-(methylsulfonylpyrimidine-2,4,6(1H,3H,5H-trione

    Directory of Open Access Journals (Sweden)

    Eyad Mallah

    2015-01-01

    Full Text Available In the title compound, C10H16N2O9S3, the pyrimidine ring of the 1,3-dimethyl barbituric acid moiety has an envelope conformation with the C atom carrying the methylsulfonyl and bis(methylsulfonylmethyl substituents as the flap. The dihedral angle between mean plane of the pyrimidine ring and the S/C/S plane is 72.4 (3°. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a three-dimensional structure.

  7. 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.

  8. 1,3-Diallyl-1H-anthra[1,2-d]imidazole-2,6,11(3H-trione

    Directory of Open Access Journals (Sweden)

    Zahra Afrakssou

    2010-07-01

    Full Text Available In the title compound, C21H16N2O3, the fused-ring system (r.m.s. deviation = 0.067 Å is slightly buckled at the carbonyl C atom of the anthracenyl ring system [deviation = 0.177 (1 Å] that is closer to an allyl substituent. The two allyl units lie on the same side of the fused-ring plane but are oriented in opposite directions, with N—C—C—C torsion angles of 126.9 (2 and 116.7 (2°. In the crystal, the molecules are linked into chains propagating along the b axis by C—H...O hydrogen bonds.

  9. 1,3-Bis(prop-2-yn-1-yl-1H-anthra[1,2-d]imidazole-2,6,11(3H-trione

    Directory of Open Access Journals (Sweden)

    Zahra Afrakssou

    2013-06-01

    Full Text Available In the title compound, C21H12N2O3, the fused-ring system is roughly planar, the largest deviation from the mean plane being 0.084 (2 Å. The two prop-2-yn-1-yl groups are almost perpendicular to the fused ring plane, making C—C—N—C torsion angles of −103.4 (2 and −105.3 (2°, and point in opposite directions with respect to the plane. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming a three-dimensional network.

  10. 3-Ethyl-3-hy-droxy-8-meth-oxy-quinoline-2,4(1H,3H)-dione monohydrate.

    Science.gov (United States)

    Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez

    2012-11-01

    In the title hydrate, C(12)H(13)NO(4)·H(2)O, the piperidine ring that is fused to the benzene ring is in a sofa conformation with the chiral C atom lying 0.4084 (18) Å out of the plane of the nine fused-ring atoms. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the organic mol-ecules and water mol-ecules into chains running along the b-axis direction. The chains are further connected into layers parallel to the bc plane by π-π inter-actions between inversion-related benzene rings [centroid-centroid distance = 3.8846 (9) Å].

  11. 5,6-Dihydro-4-methoxy-2H-pyran-2-one, a new mycotoxin from Penicillium italicum

    International Nuclear Information System (INIS)

    The structure of 5,6-dihydro-4-methoxy-2H-pyran-2-one, a mycotoxin produced by Penicillium italicum, has been determined by spectroscopic methods. The 1H and 13C n.m.r. spectra are consistent with the assigned structure

  12. KBS-3H - Development of the horizontal disposal concept

    International Nuclear Information System (INIS)

    SKB and Posiva are performing an R and D programme over the period of 2002-2007 with the overall aim to find out whether the KBS-3H concept can be regarded as an alternative to the KBS-3V concept for disposal of spent nuclear fuel. A feasibility study of the KBS-3H concept was carried out in 2002, followed by the setting up of basic design in 2003, and since 2004 the demonstration phase is ongoing, ending with the evaluation of the potencial of the concept in 2007. In order to find out whether the concept can be regarded as a viable alternative to the KBS-3V concept demonstration and design work involve development of excavation technology of the drift, detailed studies on the function of the buffer bentonite, deposition equipment and methods for construction of low-pH shotcrete plugs. The investigations related to long-term safety are based on difference analyses between KBS-3V and KBS-3H and focus on KBS-3H specific processes. By the end of 2007 the KBS-3H concept will be reported including a preliminary safety case of the concept with Olkiluoto in Finland as a reference site. (author)

  13. Calculational and Experimental Investigations of the Pressure Effects on Radical - Radical Cross Combinations Reactions: C2H5 + C2H3

    Science.gov (United States)

    Fahr, Askar; Halpern, Joshua B.; Tardy, Dwight C.

    2007-01-01

    Pressure-dependent product yields have been experimentally determined for the cross-radical reaction C2H5 + C2H3. These results have been extended by calculations. It is shown that the chemically activated combination adduct, 1-C4H8*, is either stabilized by bimolecular collisions or subject to a variety of unimolecular reactions including cyclizations and decompositions. Therefore the "apparent" combination/disproportionation ratio exhibits a complex pressure dependence. The experimental studies were performed at 298 K and at selected pressures between about 4 Torr (0.5 kPa) and 760 Torr (101 kPa). Ethyl and vinyl radicals were simultaneously produced by 193 nm excimer laser photolysis of C2H5COC2H3 or photolysis of C2H3Br and C2H5COC2H5. Gas chromatograph/mass spectrometry/flame ionization detection (GC/MS/FID) were used to identify and quantify the final reaction products. The major combination reactions at pressures between 500 (66.5 kPa) and 760 Torr are (1c) C2H5 + C2H3 yields 1-butene, (2c) C2H5 + C2H5 yields n-butane, and (3c) C2H3 + C2H3 yields 1,3-butadiene. The major products of the disproportionation reactions are ethane, ethylene, and acetylene. At moderate and lower pressures, secondary products, including propene, propane, isobutene, 2-butene (cis and trans), 1-pentene, 1,4-pentadiene, and 1,5-hexadiene are also observed. Two isomers of C4H6, cyclobutene and/or 1,2-butadiene, were also among the likely products. The pressure-dependent yield of the cross-combination product, 1-butene, was compared to the yield of n-butane, the combination product of reaction (2c), which was found to be independent of pressure over the range of this study. The [ 1-C4H8]/[C4H10] ratio was reduced from approx.1.2 at 760 Torr (101 kPa) to approx.0.5 at 100 Torr (13.3 kPa) and approx.0.1 at pressures lower than about 5 Torr (approx.0.7 kPa). Electronic structure and RRKM calculations were used to simulate both unimolecular and bimolecular processes. The relative importance

  14. Environmental 14C and 3H activities: global trends and local contamination

    International Nuclear Information System (INIS)

    The anthropogenic disturbance of natural distributions of radiocarbon ( 14C) and tritium (3H) due to the release of bomb-produced isotopes occurred after the World War II and at the same time the monitoring of these isotopes started at several stations in the world. Radioactive isotopes 14C and 3H, together with the stable isotopes 2H and 18O, are very important tracers in environmental, climatological and hydrological studies. Monitoring of environmental levels of 14C and 3H in Croatia started more then 20 years ago, while that of the stable isotopes somewhat later. The monitoring was performed at the three types of stations: a) 'clean-air' sites, which are supposed to reflect only the global disturbance of the atmospheric isotope concentrations, b) in a densely populated industrial center, where the effect of intense fossil-fuel combustion is expected, and local contamination from institutions using radioactive-labeled material is also possible, and c) at locations around the Nuclear Power Plant Krsko. The mean yearly 3H activities in precipitation continuously decrease since the beginning of monitoring approaching slowly the natural equilibrium. The monthly 3H activities show seasonal variations, with maximum in early summer and minimum in early winter. Both seasonal variations and the decrease of the mean yearly values are typical for continental stations of the Northern Hemisphere. At the sampling site located at the Institute, several periods of higher 3H activities were observed, due to the local contamination with the tritium-labeled material. The 14C concentration in the atmosphere shows also the continuous decrease of the mean yearly values and superposed seasonal fluctuations, with higher activity during summer. Seasonal peak-to-peak variations are higher in the area of the city of Zagreb than at the clean-air site on the mountain (about 1000 m a.s.l.). This difference is caused by the introduction of CO2 (containing no 14C isotope) produced by fossil

  15. Analysis list: Nr1h3 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Nr1h3 Liver + mm9 http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Nr1h3.1.tsv... http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Nr1h3.5.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Nr1h...3.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/colo/Nr1h3.Liver.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/colo/Liver.gml ...

  16. Analysis list: Nr1h2 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Nr1h2 Blood + mm9 http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Nr1h2.1.tsv... http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Nr1h2.5.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Nr1h...2.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/colo/Nr1h2.Blood.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/colo/Blood.gml ...

  17. Phenyl Ring-Substituted Lobelane Analogs: Inhibition of [3H]Dopamine Uptake at the Vesicular Monoamine Transporter-2

    Science.gov (United States)

    Nickell, Justin R.; Zheng, Guangrong; Deaciuc, Agripina G.; Crooks, Peter A.

    2011-01-01

    Lobeline attenuates the behavioral effects of methamphetamine via inhibition of the vesicular monoamine transporter (VMAT2). To increase selectivity for VMAT2, chemically defunctionalized lobeline analogs, including lobelane, were designed to eliminate nicotinic acetylcholine receptor affinity. The current study evaluated the ability of lobelane analogs to inhibit [3H]dihydrotetrabenazine (DTBZ) binding to VMAT2 and [3H]dopamine (DA) uptake into isolated synaptic vesicles and determined the mechanism of inhibition. Introduction of aromatic substituents in lobelane maintained analog affinity for the [3H]DTBZ binding site on VMAT2 and inhibitory potency in the [3H]DA uptake assay assessing VMAT2 function. The most potent (Ki = 13–16 nM) analogs in the series included para-methoxyphenyl nor-lobelane (GZ-252B), para-methoxyphenyl lobelane (GZ-252C), and 2,4-dichlorphenyl lobelane (GZ-260C). Affinity of the analogs for the [3H]DTBZ binding site did not correlate with inhibitory potency in the [3H]DA uptake assay. It is noteworthy that the N-benzylindole-, biphenyl-, and indole-bearing meso-analogs 2,6-bis[2-(1-benzyl-1H-indole-3-yl)ethyl]-1-methylpiperidine hemifumarate (AV-1-292C), 2,6-bis(2-(biphenyl-4-yl)ethyl)piperidine hydrochloride (GZ-272B), and 2,6-bis[2-(1H-indole-3-yl)ethyl]-1-methylpiperidine monofumarate (AV-1-294), respectively] inhibited VMAT2 function (Ki = 73, 127, and 2130 nM, respectively), yet had little to no affinity for the [3H]DTBZ binding site. These results suggest that the analogs interact at an alternate site to DTBZ on VMAT2. Kinetic analyses of [3H]DA uptake revealed a competitive mechanism for 2,6-bis(2-(4-methoxyphenyl)ethyl)piperidine hydrochloride (GZ-252B), 2,6-bis(2-(4-methoxyphenyl)ethyl)-1-methylpiperidine hydrochloride (GZ-252C), 2,6-bis(2-(2,4-dichlorophenyl)ethyl)piperidine hydrochloride (GZ-260C), and GZ-272B. Similar to methamphetamine, these analogs released [3H]DA from the vesicles, but with higher potency. In contrast to

  18. SPATIALLY RESOLVED l-C{sub 3}H{sup +} EMISSION IN THE HORSEHEAD PHOTODISSOCIATION REGION: FURTHER EVIDENCE FOR A TOP-DOWN HYDROCARBON CHEMISTRY

    Energy Technology Data Exchange (ETDEWEB)

    Guzmán, V. V.; Öberg, K. I. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Pety, J. [Institut de Radioastronomie Millimétrique (IRAM), 300 rue de la Piscine, F-38406 Saint Martin d’Hères (France); Goicoechea, J. R. [Instituto de Ciencia de Materiales de Madrid (CSIC), E-28049 Cantoblanco, Madrid (Spain); Gerin, M. [LERMA, Observatoire de Paris, École Normale Supérieure, PSL Research University, CNRS, UMR8112, F-75014 Paris (France); Roueff, E. [Sorbonne Universités, UPMC Univ. Paris 06, UMR8112, LERMA, F-75005 Paris (France); Gratier, P., E-mail: vguzman@cfa.harvard.edu [Université de Bordeaux, LAB, UMR 5804, F-33270, Floirac (France)

    2015-02-20

    Small hydrocarbons, such as C{sub 2}H, C{sub 3}H, and C{sub 3}H{sub 2} are more abundant in photo-dissociation regions (PDRs) than expected based on gas-phase chemical models. To explore the hydrocarbon chemistry further, we observed a key intermediate species, the hydrocarbon ion l-C{sub 3}H{sup +}, in the Horsehead PDR with the Plateau de Bure Interferometer at high-angular resolution (6″). We compare with previous observations of C{sub 2}H and c-C{sub 3}H{sub 2} at similar angular resolution and new gas-phase chemical model predictions to constrain the dominant formation mechanisms of small hydrocarbons in low-UV flux PDRs. We find that at the peak of the HCO emission (PDR position), the measured l-C{sub 3}H{sup +}, C{sub 2}H, and c-C{sub 3}H{sub 2} abundances are consistent with current gas-phase model predictions. However, in the first PDR layers, at the 7.7 μm polycyclic aromatic hydrocarbon band emission peak, which are more exposed to the radiation field and where the density is lower, the C{sub 2}H and c-C{sub 3}H{sub 2} abundances are underestimated by an order of magnitude. At this position, the l-C{sub 3}H{sup +} abundance is also underpredicted by the model but only by a factor of a few. In addition, contrary to the model predictions, l-C{sub 3}H{sup +} peaks further out in the PDR than the other hydrocarbons, C{sub 2}H and c-C{sub 3}H{sub 2}. This cannot be explained by an excitation effect. Current gas-phase photochemical models thus cannot explain the observed abundances of hydrocarbons, in particular, in the first PDR layers. Our observations are consistent with a top-down hydrocarbon chemistry, in which large polyatomic molecules or small carbonaceous grains are photo-destroyed into smaller hydrocarbon molecules/precursors.

  19. Theoretical Studies of PCl3/H2 Gas Chromatography Mechanism

    Institute of Scientific and Technical Information of China (English)

    WANG Yan-Li; MA Lin; SUN Ren-An

    2007-01-01

    Density functional theory B3LYP method was firstly applied to fully optimize the geometrical configuration of each stable point on PCl3/H2 gas chromatography reaction potential energy surface on the 6-311G** basis set, and single point energy was computed at the QCISD(T)/ 6-311G** level, then the transition state was validated by analyzing the unique imaginary vibration modes of each transition state and calculating intrinsic reaction coordinate (IRC), and the major reaction and competing reaction paths of PCl3/H2 gas chromatography reaction were presented through comparing active energy barrier, and phosphor was finally gained from the reaction of PH and PCl.

  20. Synthesis of [8-3H]pentostatin

    International Nuclear Information System (INIS)

    Starting from 3-(2-deoxy-β-D-erythro-pentofuranosyl)-6, 7-dihydroimidazo[4,5-d][1,3]diazepin-8(3H)-one (4), the synthesis of both the R- and S-isomers of [8-3H]pentostatin has been achieved. The separation of the desired R-isomer in ca. 24% overall chemical yield from the R,S-mixture was effected by preparative reverse-phase chromatography utilizing a C18 stationary support. Crystalline product of high specific activity (227 mCi/mmole) was obtained. (author)

  1. Ab initio studies of O2-(H2O)n and O3-(H2O)n anionic molecular clusters, n≤12

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Kurtén, T.; Enghoff, Martin Andreas Bødker;

    2011-01-01

    that anionic O2−(H2O)n and O3−(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding. Although...... clustering up to 12 H2O, we find that the O2 and O3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O2− and O3− speicies are thus accessible for further reactions. Finally, the thermodynamics of a few relevant cluster reactions are considered....

  2. Water-Isotopes (2H, 3H, 18O) to trace the source and timing of recharge in a fractured granite aquifer in Western Kenya, Africa

    Science.gov (United States)

    Kralik, Martin; Whylidal, Stefan; Asunah, Francis; Sültenfuß, Jürgen

    2014-05-01

    The Vihiga District in West Kenya North-West of Lake Victoria is one of the most densely populated areas in Kenya with 1033 person per square kilometer. To find the most suitable location of an own well for a Primary School in this district, springs, school wells and creeks were sampled in the surroundings to get information about the hydrological cycle in the area. The Waluka Primary school (0.02134°N, 34.64311°E) is situated on the northern slope of the Maragoli Hills 20 km to the North-West of the Nyanzan provincial capital of Kisumu at the eastern shore of Lake Victoria. The hilly relief varies between 1535 - 1675m. The yearly precipitation is between 1200-1600 mm/a (23°C mean temperature) with biannual rainy seasons in which the long rains are generally from March to May as the Inter-Tropical Convergence Zone (ITCZ) moves northwards, and the short rains are typically from October to December as the ITCZ retreats southwards. A lateritic soil covers a thin alteration zone above the Precambrian Maragoli-Granite (Saggerson, 1952). Water circulates either in the thin alteration zone or in fault zones cutting through the Precambrian granite. From discharge measurements of two springs and a creek at the end of the dry season (February 2012) a minimum discharge of ca. 10-20 L/s km2 (300-600 mm) can be estimated. The water is of the alkaline sulfate-nitrate type with low mineralization (70-150 μ S/cm, 25°C) and a low pH of about 5 to 6. The delta oxygen-18 and deuterium value ranges between -2.84 to -1.98 oand -8.5 to - 3.9 o(VSMOW). The deuterium excess ranges from 11.7-14.2 oThe water of one spring and well close to the school have a tritium content of 1.42 - 1.62 TU. All groundwater has a low arsenium, fluorine and uranium content, which had only a short soil passage. The relatively elevated, but not problematic content in nitrate (10 - 16 mg/L) probaly reflects the intensive agricultural activities in this area. As the mean δ 18O values during the rainy seasons are significantly lower (-3 to -4 o) than in the mean precipitation during the rest of the year (-2.5 to -1.9 o; Mwango, 2003) one can conclude that the main spring 'Anzaya' and the well in the Naboka Secondary School are recharged from deeper faults with water supplied more during the rainy season. The slightly higher d-excess of 13.4-14.2 ocompared to 11.7-12.6 oin the rest of the samples, indicates a somewhat higher recharge area of this two sites with water vapor recycled in the precipitation around the Liailhunuu peak (ca. 1675m). This effect is also supported by spring-water measurements at the Kilimanjaro (d-excess 13.4-6.6 o) 400 km SE. Similarily, the tritium content of 1.42 - 1.62 TU indicate that compared to a mean tritium content of 2 TU in the rain of this area (Mwango, 2003) the mean residence time can be in the range of recent to few years only.

  3. Synthesis of singly /sup 2/H-, /sup 3/H-, and /sup 14/C- and doubly labeled acetaminophen, phenacetin, and p-acetanisidine

    Energy Technology Data Exchange (ETDEWEB)

    Chan, K.K. (University of Southern California, Los Angeles (USA)); Pang, K.S. (Houston Univ., TX (USA))

    1982-03-01

    Several efficient procedures for the synthesis of deuterium, tritium, and /sup 14/C-labeled acetaminophen, phenacetin, and p-acetanisidine are described. p-Aminophenol was acylated by the appropriate acetic anhydride under mild conditions yielding labeled acetaminophen. With O-alkylation using NaCH/sub 2/SOCH/sub 3/ and appropriate labeled and unlabeled alkyl halides, labeled phenacetin and p-acetanisidine were also obtained. Phenacetin labeled both with /sup 14/C on the acyl group and deuterium on the ethoxy group was synthesized in high yield by acylation of p-phenetidine-d/sub 5/. The last compound was obtained by acid hydrolysis of phenacetin-d/sub 5/ synthesized previously.

  4. Fluorescent probe 7-(prop-2-yn-1-yloxy)-2H-chromen-2-one: Experimental and DFT based approach to photophysical properties.

    Science.gov (United States)

    Yadav, Neesha; Singh, Shailja; Mangawa, Shrawan Kumar; Dixit, Sandeep K; Gupta, Ujval; Khajuria, Yugal; Awasthi, Satish Kumar

    2015-09-01

    Compound 7-(prop-2-yn-1-yloxy)-2H-chromen-2-one was synthesized by Pechmann condensation reaction and characterized by various spectroscopic techniques. The structure of title compound was confirmed by single crystal X-ray diffraction. The compound crystallized in the orthorhombic system with P 21 21 21 space group and the corresponding lattice parameters were found to be a=4.0138 (11) Å, α=90°; b=23.536 (6) Å, β=90°; c=10.93 (2) Å, γ=90°. The crystal packing of molecule showed that intermolecular hydrogen bonds C3-H3⋯O3 [D=3.53 Å], C-13-H13⋯O2 [D=3.67 Å] and intermolecular short interaction between C1-H1⋯C1-H1 [2.68 Å] forms a dimeric unit which finally stabilizes the crystal packing in three dimensional network in the molecule. Absorption and emission spectra shows that compound is fluorescent with good Stoke shift values ranging between 57 and 62 nm. Thermal analysis further supports by TGA, DTA. The photophysical results show that the compound exhibits change in fluorescence quantum yield with change in solvent polarity. The structural parameters and the vibrational wave numbers obtained from the optimized geometry of the compound from DFT-B3LYP calculations employing 6-311G (d,p) basis set are in good agreement with the experimental data. UV-Vis spectrum calculated by employing time dependent density functional theory (TD-DFT) is also in very good agreement with the experiment for all solvents. PMID:25909905

  5. 298 K rate coefficients for the reaction of OH with i - C3H7I, n - C3H7I and C3H8

    OpenAIRE

    Carl, S. A.; J. N. Crowley

    2001-01-01

    The kinetics of the title reactions were investigated using the laser photolysis - resonance fluorescence method, employing the sequential two-photon dissociation of NO2 in the presence of H2  as the OH source. The 298 K rate constant for OH + C3H8 was found to be (1.15 ± 0.1) × 10-12 cm3 s-1, in excellent agreement with the literature recommendation, and with a separate determination using HNO3  photolysis at 248 nm as the OH source. The 298 K rate constant...

  6. Research on the degradation 1,2,4-trichlorobenzene by O3/H2O2/UV process%O3/H2O2/UV降解1,2,4-三氯苯的研究

    Institute of Scientific and Technical Information of China (English)

    孙云娜; 魏东洋; 陆桂英; 贾晓珊; 李杰; 许振成

    2013-01-01

    采用O3/H2O2/UV工艺处理1,2,4-三氯苯(TCB)模拟废水,考察了TCB初始浓度、pH、H2O2投加量及O3转化率等因素对O3/H2O2/UV降解TCB的影响,推断了TCB可能的降解途径.结果表明:(1)H2O2、O3、UV、O3/H2O2、O3/H2 O2/UV 5种体系对TCB的降解效果为H2O2 <UV<O3 <O3/H2O2 <O3/H2O2/UV.(2)O3/H2O2/UV对TCB降解的单因素实验表明,TCB初始浓度越小、O3转化率越高,TCB去除率越大;H2O2的投加量存在一个最佳值,低于或高于这个最佳值都会导致TCB去除率的下降;在碱性条件下,TCB的降解效果更佳.(3)推测O3/H2O2/UV工艺降解TCB的机制主要为TCB与·OH的反应过程,其历程可分为3步:反应初期阶段,苯环上的C-Cl被·OH攻击,产生羟基化氯苯化合物;苯环得到活化,·OH进攻苯环,产生低氯代苯类物质;羟基化合物破环,生成小分子有机酸.%The O3/H2O2/UV combination process was employed to treat the simulated 1,2,4-trichlorobenzene (TCB) containing wastewater. The effect of initial TCB concentration, pH, H2O2 dosage and ozone transform rate on TCB removal efficiency was investigated. The potential degradation pathway of TCB was proposed with the help of GC,GC/MS and HPLC analysis. Results showed that the removal efficiency of TCB in 5 degradation system (H2O2 , O3,UV,O3/H2O2,O3/H2O2/UV) followed the order of H2O2 <UV<03 <O3/H2O2 <O3/H2 O2/UV. The single-factor test of O3/H2O2/UV degradation system showed that higher TCB removal efficiency always found in system with lower initial TCB efficiency or higher ozone transform rate. H2O2 dosage had an optimum value, below or above the optimum value could reduce the TCB removal efficiency. Alkaline condition of O3/H2O2/UV process was in favor to the TCB degradation. The mechanism of TCB degradation in O3/H2O2/UV system was the reaction between TCB and o OH. In the early stages of degradation, the C-Cl bond in benzene rings was attacked by o OH and produced hy-droxylation chlorobenzene

  7. Crystal structure of 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate.

    Science.gov (United States)

    Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène

    2016-08-01

    Single crystals of the title mol-ecular salt, C4H7N2 (+)·HC2O4 (-)·2H2O, were isolated from the reaction of 2-methyl-1H-imidazole and oxalic acid in a 1:1 molar ratio in water. In the crystal, the cations and anions are positioned alternately along an infinite [010] ribbon and linked together through bifurcated N-H⋯(O,O) hydrogen bonds. The water mol-ecules of crystallization link the chains into (10-1) bilayers, with the methyl groups of the cations organized in an isotactic manner. PMID:27536393

  8. Dissolution of plutonium metal in HNO3-N2H4-KF

    International Nuclear Information System (INIS)

    Plutonium metal dissolves in HNO3-N2H4.HNO3-KF solution to yield a Pu3+ solution without an accompanying precipitation of plutonium oxide solids. The reaction evolves less than 0.2 mole of gas per mole of plutonium dissolved; the gas contains only 3% H2. About 10-3 moles of HN3 are produced per mole of plutonium dissolved. Optimum conditions for dissolving both alpha-phase and delta-phase plutonium metal were developed. Possible applications are to the recovery of plutonium metal or the processing of irradiated plutonium metal and alloys

  9. Analysis list: NR1H3 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available NR1H3 Adipocyte,Blood + hg19 http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/target.../NR1H3.1.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/target/NR1H3.5.tsv http://dbarchive.bioscienced...bc.jp/kyushu-u/hg19/target/NR1H3.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/NR1H3.Adipocyte....tsv,http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/NR1H3.Blood.tsv http://dbarchive.bioscien...cedbc.jp/kyushu-u/hg19/colo/Adipocyte.gml,http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/Blood.gml ...

  10. Experimental Study on UV/Mn2+-Fe3+/H2O2 for Wastewater Treatment%UV/Mn2+-Fe3+/H2O2处理染料废水的实验研究

    Institute of Scientific and Technical Information of China (English)

    李明月

    2016-01-01

    研究了常温常压下UV/Mn2+-Fe3+/H2O2光催化非均相反应体系处理偶氮染料模拟废水的特性,并与UV-Mn2+/H2O2、UV/Fe2+/H2O2等体系处理染料废水的效果进行了对比;考察了Mn2+、Fe2+、Fe3+、H2O2投加量对UV/Mn2+-Fe3+/H2O2反应体系处理染料废水的影响.结果表明,UV/Mn2+-Fe3+/H2O2反应体系具有良好的催化氧化作用,在20 w紫外光照射下,100 mg·L-1的直接大红D-GLN在反应20 min时,降解效率高达到90%以上.

  11. Evaluation of a 1-h 75-g oral glucose tolerance test in the diagnosis of gestational diabetes

    Directory of Open Access Journals (Sweden)

    M.A.A. Campos

    2008-08-01

    Full Text Available In order to evaluate the performance of a 1-h 75-g oral glucose tolerance test (OGTT for the diagnosis of gestational diabetes mellitus (GDM, a cohort of 4998 women, 20 years or older, without previous diabetes being treated in prenatal care clinics in Brazil answered a questionnaire and performed a 75-g OGTT including fasting, 1-h and 2-h glucose measurements between their 24th and 28th gestational weeks. Pregnancy outcomes were transcribed from medical registries. GDM was defined according to WHO criteria (fasting: ≥126 mg/dL; 2-h value: ≥140 mg/dL and macrosomia as a birth weight equal to or higher than 4000 g. Areas under the receiver operator characteristic curve (AUC were compared and diagnostic properties of various cut-off points were evaluated. The AUCs for the prediction of macrosomia were 0.606 (0.572-0.637 for the 1-h and 0.589 (0.557-0.622 for the 2-h plasma glucose test. Similar predictability was demonstrable regarding combined adverse outcomes: 0.582 (0.559-0.604 for the 1-h test and 0.572 (0.549-0.595 for the 2-h test. When the 1-h glucose test was evaluated against a diagnosis of GDM defined by the 2-h glucose test, the AUC was 0.903 (0.886-0.919. The cut-off point that maximized sensitivity (83% and specificity (83% was 141 mg/dL, identifying 21% of the women as positive. A cut-off point of 160 mg/dL, with lower sensitivity (62%, had higher specificity (94%, labeling 8.6% as positive. Detection of GDM can be done with a 1-h 75-g OGTT: the value of 160 mg/dL has the same diagnostic performance as the conventional 2-h value (140 mg/dL. The simplification of the test may improve coverage and timing of the diagnosis of GDM.

  12. Main: 1H1Y [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H1Y イネ Rice Oryza sativa L. D-Ribulose-5-Phosphate 3-Epimerase Oryza Sativa Molecu...V. 326 127 2003 3-Epimerase, Oxidative Pentose Phosphate Pathway, Isomerase SWS:Q9SE42,Q9SE42|EMBL; AF189365; AAF01048.1; -.|PDB; 1H...1Y; X-ray; A/B=1-228.|PDB; 1H1Z; X-ray; A/B=1-228.|Gramene; Q9SE42; -.|GO; GO:001685...ELIQSIKAKGMRPGVSLRPGTPVEEVFPLVEAENPVELVLVMTVEPGFGGQKFMPEMMEKVRALRKKYPSLDIEVDGGLGPSTIDVAASAGANCIVAGSSIFGAAEPGEVISALRKSVEGSQNKS rice_1H1Y.jpg ...

  13. Main: 1H1Z [RPSD[Archive

    Lifescience Database Archive (English)

    Full Text Available 1H1Z イネ Rice Oryza sativa L. D-Ribulose-5-Phosphate 3-Epimerase Oryza Sativa Molecu...V. 326 127 2003 3-Epimerase, Oxidative Pentose Phosphate Pathway, Isomerase SWS:Q9SE42,Q9SE42|EMBL; AF189365; AAF01048.1; -.|PDB; 1H...1Y; X-ray; A/B=1-228.|PDB; 1H1Z; X-ray; A/B=1-228.|Gramene; Q9SE42; -.|GO; GO:001685...ELIQSIKAKGMRPGVSLRPGTPVEEVFPLVEAENPVELVLVMTVEPGFGGQKFMPEMMEKVRALRKKYPSLDIEVDGGLGPSTIDVAASAGANCIVAGSSIFGAAEPGEVISALRKSVEGSQNKS rice_1H1Z.jpg ...

  14. H3++H2 isotopic system at low temperatures: Microcanonical model and experimental study

    Science.gov (United States)

    Hugo, Edouard; Asvany, Oskar; Schlemmer, Stephan

    2009-04-01

    State-to-state thermal rate coefficients for reactions of all H3++H2 isotopic variants are derived and compared to new experimental data. The theoretical data are also sought for astrochemical modeling of cold environments (<50K). The rates are calculated on the basis of a microcanonical approach using the Langevin model and the conservation laws of mass, energy, angular momentum, and nuclear spin. Full scrambling of all five nuclei during the collision is assumed for the calculations and alternatively partial dynamical restrictions are considered. The ergodic principle of the collision is employed in two limiting cases, neglecting (weak ergodic limit) or accounting for explicit degeneracies of the reaction mechanisms (strong ergodic limit). The resulting sets of rate coefficients are shown to be consistent with the detailed balance and thermodynamical equilibrium constants. Rate coefficients, k(T ), for the deuteration chain of H3+ with HD as well as H2D+/H3+ equilibrium ratios have been measured in a variable temperature 22-pole ion trap. In particular, the D2H++HD→D3++H2 rate coefficient indicates a change in reaction mechanism when going to higher temperatures. The good overall agreement between experiment and theory encourages the use of the theoretical predictions for astrophysical modeling.

  15. Laeve-[1-3H]Methadone disposition in tolerant dogs.

    Science.gov (United States)

    Misra, A L; Bloch, R; Vadlamani, N L; Mulé, S J

    1975-04-01

    1. Following a subcutaneous dose (4mg/kg) of [3H]methadone, peak levels of drug occurred in plasma, tissues and selected areas of the central nervous system (CNS) 2h after injection in both non-tolerant and tolerant dogs. Highest concentrations of methadone were attained in bile and lung compared to other tissues. 2. Levels of methadone in plasma, tissue and CNS of tolerant and non-tolerant animals were not markedly different up to 8h after injection, but a much faster rate of egression of free drug (lower t1/2) was observed subsequently in tolerant dogs. 3. Peak levels of methadone in various areas of the CNS ranged between 2-7 (spinal cord) to 3-6 (thalamus) mug/g in non-tolerant and 3-0 -rebellum) to 4-1 (thalamus) mug/g in tolerant dogs 2h after injection. No marked accumulation of methadone occurred in selected areas of the CNS in spite of the persistence of drug in these areas. 4. The plasma protein electrophoretic profiles did not differ between control, non-tolerant and tolerant dogs. 5. Similar qualitative patterns of metabolites were observed in non-tolerant and tolerant dogs and the development of tolerance did not appear to modify the metabolic pathways of methadone. PMID:1154803

  16. Reaction rate of the proton radiative capture on 3H

    CERN Document Server

    Dubovichenko, S B; Afanasyeva, N V

    2016-01-01

    Calculations of the reaction rate of the proton radiative capture on 3H at temperatures from 0.01 T9 up to 5 T9, which are based on the theoretical results for the astrophysical S factor and take into account the latest experimental data, were carried out. Theoretical results for the S factor at energies from 1 keV up to 5 MeV were obtained in the framework of the modified potential cluster model with the classification of orbital states according to Young tableaux. On the basis of used nuclear model of the interaction of p and 3H particles there was shown possibility of description the latest experimental data for the S factor at the energy range from 50 keV up to 5 MeV.

  17. Quantitation of methadone enantiomers in humans using stable isotope-labeled (2H3)-, (2H5)-, and (2H8)Methadone

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, K.; Hachey, D.L.; Kreek, M.J.; Irving, C.S.; Klein, P.D.

    1982-01-01

    A new technique for simultaneous stereoselective kinetic studies of methadone enantiomers was developed using three deuterium-labeled forms of methadone and GLC-chemical-ionization mass spectrometry. A racemic mixture (1:1) of (R)-(-)-(2H5)methadone (l-form) and (S)-(R)-(2H3)methadone (d-form) was administered orally in place of a single daily dose of unlabeled (+/-)-(2H0)methadone in long-term maintenance patients. Racemic (+/-)-(2H8)methadone was used as an internal standard for the simultaneous quantitation of (2H0)-, (2H3)-, and (2H5)methadone in plasma and urine. A newly developed extraction procedure, using a short, disposable C18 reversed-phase cartridge and improved chemical-ionization procedures employing ammonia gas, resulted in significant reduction of the background impurities contributing to the ions used for isotopic abundance measurements. These improvements enabled the measurement of labeled plasma methadone levels for 120 hr following a single dose. This methodology was applied to the study of methadone kinetics in two patients; in both patients, the analgesically active l-enantiomer of the drug had a longer plasma elimination half-life and a smaller area under the plasma disappearance curve than did the inactive d-form.

  18. Quantitation of methadone enantiomers in humans using stable isotope-labeled [2H3]-, [2H5]-, and [2H8]Methadone

    International Nuclear Information System (INIS)

    A new technique for simultaneous stereoselective kinetic studies of methadone enantiomers was developed using three deuterium-labeled forms of methadone and GLC-chemical-ionization mass spectrometry. A racemic mixture (1:1) of (R)-(-)-[2H5]methadone (l-form) and (S)-(R)-[2H3]methadone (d-form) was administered orally in place of a single daily dose of unlabeled (+/-)-[2H0]methadone in long-term maintenance patients. Racemic (+/-)-[2H8]methadone was used as an internal standard for the simultaneous quantitation of [2H0]-, [2H3]-, and [2H5]methadone in plasma and urine. A newly developed extraction procedure, using a short, disposable C18 reversed-phase cartridge and improved chemical-ionization procedures employing ammonia gas, resulted in significant reduction of the background impurities contributing to the ions used for isotopic abundance measurements. These improvements enabled the measurement of labeled plasma methadone levels for 120 hr following a single dose. This methodology was applied to the study of methadone kinetics in two patients; in both patients, the analgesically active l-enantiomer of the drug had a longer plasma elimination half-life and a smaller area under the plasma disappearance curve than did the inactive d-form

  19. THE ABUNDANCE OF C{sub 3}H{sub 2} AND OTHER SMALL HYDROCARBONS IN THE DIFFUSE INTERSTELLAR MEDIUM

    Energy Technology Data Exchange (ETDEWEB)

    Liszt, Harvey [National Radio Astronomy Observatory, 520 Edgemont Road, Charlottesville, VA 22903-2475 (United States); Sonnentrucker, Paule [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Cordiner, Martin [Astrochemistry Laboratory and the Goddard Center for Astrobiology, Mailstop 691, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20770 (United States); Gerin, Maryvonne, E-mail: hliszt@nrao.edu [LERMA, UMR 8112 du CNRS, Observatoire de Paris Ecole Normale Superieure, UPMC and UCP (France)

    2012-07-10

    Hydrocarbons are ubiquitous in the interstellar medium, observed in diverse environments ranging from diffuse to molecular dark clouds and strong photon-dominated regions near H II regions. Recently, two broad diffuse interstellar bands (DIBs) at 4881 A and 5450 A were attributed to the linear version of propynylidene l-C{sub 3}H{sub 2}, a species whose more stable cyclic conformer c-C{sub 3}H{sub 2} has been widely observed in the diffuse interstellar medium at radio wavelengths. This attribution has already been criticized on the basis of indirect plausibility arguments because the required column densities are quite large, N(l-C{sub 3}H{sub 2})/E{sub B-V} =4 Multiplication-Sign 10{sup 14} cm{sup -2} mag{sup -1}. Here we present new measurements of N(l-C{sub 3}H{sub 2}) based on simultaneous 18-21 GHz Very Large Array absorption profiles of cyclic and linear C{sub 3}H{sub 2} taken along sight lines toward extragalactic radio-continuum background sources with foreground Galactic reddening E{sub B-V} = 0.1-1.6 mag. We find that N(l-C{sub 3}H{sub 2})/N(c-C{sub 3}H{sub 2}) Almost-Equal-To 1/15-1/40 and N(l-C{sub 3}H{sub 2})/E{sub B-V} Almost-Equal-To (2 {+-} 1) Multiplication-Sign 10{sup 11} cm{sup -2} mag{sup -1}, so that the column densities of l-C{sub 3}H{sub 2} needed to explain the DIBs are some three orders of magnitude higher than what is observed. We also find N(C{sub 4}H)/E{sub B-V} <1.3 Multiplication-Sign 10{sup 13} cm{sup -2} mag{sup -1} and N(C{sub 4}H{sup -})/E{sub B-V} <1 Multiplication-Sign 10{sup 11} cm{sup -2} mag{sup -1} (3{sigma}). Using available data for CH and C{sub 2}H we compare the abundances of small hydrocarbons in diffuse and dark clouds as a guide to their ability to contribute as DIB carriers over a wide range of conditions in the interstellar medium.

  20. Interaction of [3H] estradiol - and [3H] monohydroxytamoxifen-estrogen receptor complexes with a monoclonal antibody.

    Science.gov (United States)

    Tate, A C; DeSombre, E R; Greene, G L; Jensen, E V; Jordan, V C

    1983-01-01

    The aim of this study was to compare and contrast the interaction of estrogen [( 3H]17 beta-estradiol)- or antiestrogen [( 3H]monohydroxytamoxifen)-receptor complexes from human breast tumor cytosols with monoclonal antibodies raised to the human breast tumor estrogen receptor. Breast tumor cytosols containing estrogen receptor which sedimented as radiolabeled peaks in either the 8S, 8S and 4S, or 4S regions of sucrose density gradients, interacted with the monoclonal antibody D547 to produce a broad 9-10S peak, a broad 8S-10S peak, or a more discrete 8S peak, respectively. On high salt (0.4M KC1) sucrose density gradients the 4S ligand-receptor complex plus antibody produced a binding peak at approximately the 8S region of the gradient. These sedimentation studies with the monoclonal antibody D547, and similar studies with the monoclonal antibody D58, could detect no differences in the cytosolic estrogen receptor whether complexed with [3H]estradiol or with [3H]monohydroxytamoxifen. These observations were confirmed by Scatchard equilibrium saturation analysis and sucrose density gradient analysis of cytosols from the MCF-7 human breast cancer cell line. The antibody D547 interacted with 8S ER from these cytosols to produce a broad 8S-10S peak, but the antibody produced no change in the affinity or number of binding sites present in these cytosols. It seems, therefore, that the antigenic determinants recognized by these particular antibodies on the breast tumor cytosolic receptor are not significantly altered by the binding of either an estrogen or an antiestrogen to the receptor. PMID:6671136

  1. Distribution of 3H-8-MOP and its metabolites in rat organs after a single oral administration

    Energy Technology Data Exchange (ETDEWEB)

    Wulf, H.C.; Andreasen, M.P.

    1981-04-01

    Concentrations of 3H-8-methoxypsoralen (MOP), its lipid- and water soluble metabolites and tritiated water have been measured in rat serum, liver, kidney, and skin, using liquid scintillation, thin-layer chromatography and other techniques. Radioactivity in whole blood, plasma, ovary, adrenals, and pancreas has also been measured. The radioactivty has been measured up to 1 week after medication, while 3H-8-MOP and metabolite concentrations have been measured from 10 min to 24 h after medication with a single dose of 1 mg 3H-8-MOP in solution/kg bodyweight. Maximum 8-MOP concentrations were seen from 10 to 30 min after dosing. The concentrations in microgram/kg 10 min, 2 h, and 24 h after medication were as follows: serum--686, 57, 2.1; liver--489, 45, 3.3; kidney--1708, 139, 4.3; and skin--55, 16, 3.8. The concentrations of water soluble metabolites were very high in the liver and only slightly lower in the kidney. The concentrations of these metabolites might accumulate after doses repeated 4 times a week. 3H-8-MOP and its metabolites would not show similar accumulation. Most of the radioactivity present after 1 week is due to trititated water.

  2. Neurons in the brain of the male cynomolgus monkey accumulate /sup 3/H-medroxyprogesterone acetate (MPA)

    Energy Technology Data Exchange (ETDEWEB)

    Michael, R.P.; Bonsall, R.W.; Rees, H.D.

    1986-03-01

    MPA is a synthetic progestin with androgen-depleting activity. It is used clinically to reduce sexual motivation and aggression in male sex offenders. The mechanisms for its behavioral effects are not known. The authors used steroid autoradiography to help identify sites where MPA may act in the brain of male primates. Twenty-four hours after castration, two adult male cynomolgus macaques, weighing 4.9 and 6.6 kg, were administered 5 mCi /sup 3/H-MPA (NEN, 47.7 Ci/mmol) i.v., and were killed 1 h later. Left sides of the brains and samples of pituitary glands were frozen and 4-micron sections were cut and processed for thaw-mount autoradiography. Radioactivity was concentrated in the nuclei of many neutrons in the ventromedial hypothalamic nucleus (n.), arcuate n., medial preoptic n., and anterior hypothalamic area. Virtually no labeled cells were seen in the bed n. of stria terminalis, lateral septal n., amygdala, or pituitary gland. Right sides of the brains were analyzed by HPLC which demonstrated that 98% of the radioactivity in cell nuclei from the hypothalamus was in the form of unmetabolized /sup 3/H-MPA. The distribution of labelling in the brain following /sup 3/H-MPA administration resembled that previously seen following /sup 3/H-ORG 2058 in female cynomolgus monkeys. These data indicate that MPA has a circumscribed localization in the brain.

  3. Ca2LiC3H: a new complex carbide hydride phase grown in metal flux.

    Science.gov (United States)

    Lang, David A; Zaikina, Julia V; Lovingood, Derek D; Gedris, Thomas E; Latturner, Susan E

    2010-12-15

    The reaction of carbon and CaH2 in a calcium/lithium flux mixture produces crystals of the new compound Ca2LiC3H. This phase forms with a new structure type in tetragonal space group P4/mbm (a = 6.8236(1) Å, c = 3.7518(1) Å, Z = 2, R1 = 0.0151). This is a stuffed variant of the Cs2(NH2)N3 structure, containing hydride anions in octahedral sites; the structure determination by single-crystal X-ray diffraction surprisingly allowed the hydrogen to be detected. The Ca2LiC3H structure also features the rarely seen C3(4-) carbide anion; the protolysis reaction of this compound with ammonium chloride produces C3H4. The electronic properties of Ca2LiC3H were studied by quantum-chemical calculations including band structure and electron localization function (ELF) analysis; the phase is a charge-balanced semiconductor with a calculated band gap of 0.48 eV. This is in agreement with (7)Li, (13)C, and (1)H MAS NMR data, which show resonances in the ionic region instead of the Knight shifted region. ELF analysis of the theoretical nonhydrided Ca2LiC3 structure confirms the ability of these calculations to properly locate hydrides and supports the structural model based on X-ray diffraction data.

  4. Thermal Hydrolysis Synthesis and Characterization of Monoclinic Metahewettite CaV6O16•3H2O

    Institute of Scientific and Technical Information of China (English)

    LI Lanjie; ZHENG Shili; WANG Shaona; DU Hao; ZHANG Yi

    2014-01-01

    Monoclinic metahewettite CaV6O16•3H2O has been fabricated via thermal hydrolysis of calcium vanadate (Ca10V6O25). High purity calcium vanadate precipitate, featuring column structure with surface area of 8.61 m2/g, can be obtained by reacting sodium orthovanadate (Na3VO4) with calcium oxide at 90℃for 2 h. By acidification of calcium vanadate in hot water at pH of 1.0-3.0, the monoclinic metahewettite crystals with uniform particle distribution, layered structure and nonporous structure can be fabricated. With the well crystallized layered structure, CaV6O16•3H2O may be a potential cathode material for secondary batteries as well as super capacitor materials.

  5. The synthesis of Org 3770 labelled with sup 3 H, sup 13 C and sup 14 C. [Antidepressant

    Energy Technology Data Exchange (ETDEWEB)

    Kaspersen, F.M.; Rooij, F.A.M. van; Sperling, E.G.M.; Wieringa, J.H. (Organon International BV, Oss (Netherlands))

    1989-09-01

    The syntheses of 1,2,3,4,10,14b-hexahydro-2-methylpyrazino(2,1-a)pyrido(2,3-c)(2)benazepine (Org 3770) labelled with {sup 3}H (and {sup 2}H), {sup 13}C and {sup 14}C are described. Tritiated Org 3770 was prepared either by exchange under alkaline conditions with tritiated water or catalytic reductive dehalogenation of a chloro analogue with {sup 3}H{sub 2}. {sup 13}C-labelled material was obtained in a seven-step synthesis starting from {sup 13}C-labelled benzene whereas {sup 14}C-Org 3770 was prepared in a three-step synthesis starting with {sup 14}CO{sub 2}. All labelled compounds were analyzed by TLC, HPLC, MS and NMR. (author).

  6. 1,5-Dimethyl-4-(1-methyl-3-oxo-3-phenylprop-1-enylamino-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Hualing Zhu

    2011-07-01

    Full Text Available In the title compound, C21H21N3O2, an intramolecular N—H...O interaction generates an S(6 ring, which stablizes the enamine–keto tautomer. The S(6 ring makes dihedral angles of 33.07 (7, 56.50 (8 and 38.59 (8°, respectively, with the benzoylacetone benzene ring and the antipyrine pyrazole and benzene rings.

  7. 4-[(E-(2,4,5-Trimethoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2010-07-01

    Full Text Available The title compound, C21H23N3O4, adopts an E configuration about the central C=N double bond and the pyrazolone ring is almost planar, with a maximum deviation of 0.042 (1 Å. The central pyrazolone ring makes dihedral angles of 51.96 (5 and 3.82 (5° with the attached phenyl and the trimethoxy-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the trimethoxy-substituted benzene ring is 50.19 (5° and an intramolecular C—H...O hydrogen bond generates an S(6 ring motif. The crystal structure is stabilized by intermolecular C—H...O and C—H...N hydrogen bonds.

  8. 4-{(E-[2-(4-Iodobutoxybenzylidene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2010-07-01

    Full Text Available The title Schiff base compound, C22H24IN3O2, adopts an E configuration about the central C=N bond. The pyrazolone ring makes a dihedral angle of 49.68 (10° with its attached phenyl ring. The phenolate plane makes dihedral angles of 16.78 (9 and 50.54 (9°, respectively, with the pyrazolone ring and the terminal phenyl ring. An intramolecular C—H...O hydrogen bond generates an S(6 ring motif. In the crystal structure, an intermolecular C—H...O hydrogen bond is also observed.

  9. Spin density matrix elements in exclusive $\\omega$ electroproduction on $^1$H and $^2$H targets at 27.5 GeV beam energy

    CERN Document Server

    Airapetian, A; Akopov, Z; Augustyniak, W; Avetissian, A; Blok, H P; Borissov, A; Bryzgalov, V; Capiluppi, M; Capitani, G P; Cisbani, E; Ciullo, G; Contalbrigo, M; Dalpiaz, P F; Deconinck, W; De Leo, R; De Sanctis, E; Diefenthaler, M; Di Nezza, P; Düren, M; Ehrenfried, M; Elbakian, G; Ellinghaus, F; Etzelmüller, E; Fabbri, R; Felawka, L; Frullani, S; Gabbert, D; Gapienko, G; Gapienko, V; Garibaldi, F; Gavrilov, G; Gharibyan, V; Hartig, M; Hasch, D; Holler, Y; Hristova, I; Ivanilov, A; Jackson, H E; Joosten, S; Kaiser, R; Karyan, G; Keri, T; Kinney, E; Kisselev, A; Korotkov, V; Kozlov, V; Kravchenko, P; Krivokhijine, V G; Lagamba, L; Lapikás, L; Lehmann, I; Lenisa, P; Lorenzon, W; Ma, B -Q; Mahon, D; Manaenkov, S I; Mao, Y; Marianski, B; Marukyan, H; Movsisyan, A; Murray, M; Naryshkin, Y; Nass, A; Nowak, W -D; Pappalardo, L L; Perez-Benito, R; Petrosyan, A; Reimer, P E; Reolon, A R; Riedl, C; Rith, K; Rostomyan, A; Ryckbosch, D; Schäfer, A; Schnell, G; Schüler, K P; Seitz, B; Shibata, T -A; Stahl, M; Stancari, M; Statera, M; Steffens, E; Steijger, J J M; Taroian, S; Terkulov, A; Truty, R; Trzcinski, A; Tytgat, M; Van Haarlem, Y; Van Hulse, C; Vikhrov, V; Vilardi, I; Wang, S; Yaschenko, S; Yen, S; Zeiler, D; Zihlmann, B; Zupranski, P

    2014-01-01

    Exclusive electroproduction of $\\omega$ mesons on unpolarized hydrogen and deuterium targets is studied in the kinematic region of Q$^2$>1.0 GeV$^2$, 3.0 GeV < W < 6.3 GeV, and -t'< 0.2 GeV$^2$. Results on the angular distribution of the $\\omega$ meson, including its decay products, are presented. The data were accumulated with the HERMES forward spectrometer during the 1996-2007 running period using the 27.6 GeV longitudinally polarized electron or positron beam of HERA. The determination of the virtual-photon longitudinal-to-transverse cross-section ratio reveals that a considerable part of the cross section arises from transversely polarized photons. Spin density matrix elements are presented in projections of Q$^2$ or -t'. Violation of s-channel helicity conservation is observed for some of these elements. A sizable contribution from unnatural-parity-exchange amplitudes is found and the phase shift between those amplitudes that describe transverse $\\omega$ production by longitudinal and transvers...

  10. Spin density matrix elements in exclusive ω electroproduction on {sup 1}H and {sup 2}H targets at 27.5 GeV beam energy

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [Giessen Univ. (Germany). II. Physikalisches Inst.; Michigan Univ., Ann Arbor, MI (United States). Randall Lab. of Physics; Akopov, N. [Yerevan Physics Inst., Yerevan (Armenia); Akopov, Z. [DESY, Hamburg (Germany); Collaboration: The HERMES Collaboration; and others

    2014-07-15

    Exclusive electroproduction of ω mesons on unpolarized hydrogen and deuterium targets is studied in the kinematic region of Q{sup 2} >1.0 GeV{sup 2}, 3.0 GeV

  11. Gas-phase fragmentation of peptides by MALDI in-source decay with limited amide hydrogen (1H/2H) scrambling

    DEFF Research Database (Denmark)

    Bache, Nicolai; Rand, Kasper D; Roepstorff, Peter;

    2008-01-01

    To achieve a fundamental understanding of the function of proteins and protein complexes at the molecular level, it is crucial to obtain a detailed knowledge about their dynamic and structural properties. The kinetics of backbone amide hydrogen exchange is intimately linked to the structural...

  12. Spin density matrix elements in exclusive ω electroproduction on {sup 1}H and {sup 2}H targets at 27.5 GeV beam energy

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [Justus-Liebig Universitaet Giessen, II. Physikalisches Institut, Giessen (Germany); University of Michigan, Randall Laboratory of Physics, Ann Arbor, MI (United States); Akopov, N.; Avetissian, A.; Elbakian, G.; Gharibyan, V.; Karyan, G.; Marukyan, H.; Petrosyan, A.; Taroian, S. [Yerevan Physics Institute, Yerevan (Armenia); Akopov, Z.; Borissov, A.; Deconinck, W.; Hartig, M.; Holler, Y.; Rostomyan, A.; Schueler, K.P.; Zihlmann, B. [DESY, Hamburg (Germany); Augustyniak, W.; Marianski, B.; Trzcinski, A.; Zupranski, P. [National Centre for Nuclear Research, Warsaw (Poland); Blok, H.P. [National Institute for Subatomic Physics (Nikhef), Amsterdam (Netherlands); VU University, Department of Physics and Astronomy, Amsterdam (Netherlands); Bryzgalov, V.; Gapienko, G.; Gapienko, V.; Ivanilov, A.; Korotkov, V. [Institute for High Energy Physics, Protvino, Moscow Region (Russian Federation); Capiluppi, M.; Ciullo, G.; Dalpiaz, P.F.; Lenisa, P.; Pappalardo, L.L.; Stancari, M.; Statera, M. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (Italy); Universita di Ferrara, Dipartimento di Fisica e Scienze della Terra, Ferrara (Italy); Capitani, G.P.; De Sanctis, E.; Di Nezza, P.; Hasch, D.; Reolon, A.R. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, Frascati (Italy); Cisbani, E.; Frullani, S.; Garibaldi, F. [Istituto Nazionale di Fisica Nucleare, Sezione di Roma, Gruppo Collegato Sanita, Rome (Italy); Istituto Superiore di Sanita, Roma (Italy); Contalbrigo, M. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (Italy); De Leo, R.; Lagamba, L.; Vilardi, I. [Istituto Nazionale di Fisica Nucleare, Sezione di Bari, Bari (Italy); Diefenthaler, M. [Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (Germany); University of Illinois, Department of Physics, Urbana, IL (United States); Dueren, M.; Ehrenfried, M.; Etzelmueller, E.; Keri, T.; Perez-Benito, R.; Stahl, M. [Justus-Liebig Universitaet Giessen, II. Physikalisches Institut, Giessen (Germany); Ellinghaus, F.; Kinney, E. [University of Colorado, Nuclear Physics Laboratory, Boulder, CO (United States); Fabbri, R.; Gabbert, D.; Hristova, I.; Nowak, W.D. [DESY, Zeuthen (Germany); Felawka, L.; Yen, S. [TRIUMF, Vancouver, BC (Canada); Gavrilov, G. [DESY, Hamburg (Germany); B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad Region (Russian Federation); TRIUMF, Vancouver, BC (Canada); Jackson, H.E.; Reimer, P.E. [Argonne National Laboratory, Physics Division, Argonne, IL (United States); Joosten, S. [Ghent University, Department of Physics and Astronomy, Gent (Belgium); University of Illinois, Department of Physics, Urbana, IL (United States); Kaiser, R.; Lehmann, I.; Mahon, D.; Murray, M.; Seitz, B. [University of Glasgow, SUPA, School of Physics and Astronomy, Glasgow (United Kingdom); Kisselev, A.; Kravchenko, P.; Manaenkov, S.I.; Naryshkin, Y.; Vikhrov, V. [B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, Leningrad Region (Russian Federation); Kozlov, V.; Terkulov, A. [Lebedev Physical Institute, Moscow (Russian Federation); Krivokhijine, V.G. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Lapikas, L.; Steijger, J.J.M. [National Institute for Subatomic Physics (Nikhef), Amsterdam (NL); Lorenzon, W. [University of Michigan, Randall Laboratory of Physics, Ann Arbor, MI (US); Ma, B.Q.; Mao, Y.; Wang, S. [Peking University, School of Physics, Beijing (CN); Movsisyan, A. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara, Ferrara (IT); Yerevan Physics Institute, Yerevan (AM); Nass, A.; Rith, K.; Steffens, E.; Zeiler, D. [Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (DE); Riedl, C. [DESY, Zeuthen (DE); University of Illinois, Department of Physics, Urbana, IL (US); Ryckbosch, D.; Tytgat, M.; Haarlem, Y. van [Ghent University, Department of Physics and Astronomy, Gent (BE); Schaefer, A. [Universitaet Regensburg, Institut fuer Theoretische Physik, Regensburg (DE); Schnell, G. [University of the Basque Country UPV/EHU, Department of Theoretical Physics, Bilbao (ES); Ghent University, Department of Physics and Astronomy, Gent (BE); IKERBASQUE, Basque Foundation for Science, Bilbao (ES); Shibata, T.A. [Tokyo Institute of Technology, Department of Physics, Tokyo (JP); Truty, R. [University of Illinois, Department of Physics, Urbana, IL (US); Hulse, C. van [University of the Basque Country UPV/EHU, Department of Theoretical Physics, Bilbao (ES); Ghent University, Department of Physics and Astronomy, Gent (BE); Yaschenko, S. [DESY, Hamburg (DE); Universitaet Erlangen-Nuernberg, Physikalisches Institut, Erlangen (DE); Collaboration: The HERMES Collaboration

    2014-11-15

    Exclusive electroproduction of ω mesons on unpolarized hydrogen and deuterium targets is studied in the kinematic region of Q{sup 2} > 1.0 GeV{sup 2}, 3.0 GeV < W < 6.3 GeV, and -t' < 0.2 GeV{sup 2}. Results on the angular distribution of the ω meson, including its decay products, are presented. The data were accumulated with the HERMES forward spectrometer during the 1996-2007 running period using the 27.6 GeV longitudinally polarized electron or positron beam of HERA. The determination of the virtual-photon longitudinal-to-transverse cross-section ratio reveals that a considerable part of the cross section arises from transversely polarized photons. Spin density matrix elements are presented in projections of Q{sup 2} or -t'. Violation of s-channel helicity conservation is observed for some of these elements. A sizable contribution from unnatural-parity-exchange amplitudes is found and the phase shift between those amplitudes that describe transverse ω production by longitudinal and transverse virtual photons, γ{sub L}{sup *} → ω{sub T} and γ{sub T}{sup *} → ω{sub T}, is determined for the first time. A hierarchy of helicity amplitudes is established, which mainly means that the unnatural-parity-exchange amplitude describing the γ{sub T}{sup *} → ω{sub T} transition dominates over the two natural-parityexchange amplitudes describing the γ{sub L}{sup *} → ω{sub L} and γ{sub T}{sup *} → ω{sub T} transitions, with the latter two being of similar magnitude. Good agreement is found between the HERMES proton data and results of a pQCD-inspired phenomenological model that includes pion-pole contributions, which are of unnatural parity. (orig.)

  13. Polarization Transfer Measurement for $^1H(\\vec{d},\\vec{p})^2 H$ Elastic Scattering at 135 MeV/u and Three Nucleon Force Effects

    CERN Document Server

    Sekiguchi, K; Witala, H; Ermisch, K; Glöckle, W; Golak, J; Hatano, M; Kamada, H; Kalantar-Nayestanaki, N; Kato, H; Maeda, Y; Nishikawa, J; Nogga, A; Ohnishi, T; Okamura, H; Saitô, T; Sakamoto, N; Sakoda, S; Satou, Y; Suda, K; Tamii, A; Uchigashima, T; Uesaka, T; Wakasa, T; Yako, K

    2004-01-01

    The deuteron to proton polarization transfer coefficients for the $d$--$p$ elastic scattering were precisely measured with an incoming deuteron energy of 135 MeV/u at the RIKEN Accelerator Research Facility. The data are compared to theoretical predictions based on exact solutions of three-nucleon Faddeev equations with high--precision nucleon--nucleon forces combined with different three-nucleon forces (3NFs), representing the current, most popular models: the $2\\pi$-exchange Tucson-Melbourne model, a modification thereof closer to chiral symmetry TM'(99), and the Urbana IX 3NF. Theory predicts large 3NF effects, especially in the angular range around the cross section minimum, but the present data only partially concurs, predominantly for $K_{xx}^{y'}-K_{yy}^{y'}$ ($K_{xx}^{y'}$, $K_{yy}^{y'}$). For the induced polarization, $P^{y'}$, the TM$'$(99) and Urbana IX 3NFs reproduce the data, but the Tucson-Melbourne 3NF fails to describe the data. For the polarization transfer coefficients, $K_{y}^{y'}$ and $K_{...

  14. A new electronic structure method for doublet states: configuration interaction in the space of ionized 1h and 2h1p determinants.

    Science.gov (United States)

    Golubeva, Anna A; Pieniazek, Piotr A; Krylov, Anna I

    2009-03-28

    An implementation of gradient and energy calculations for configuration interaction variant of equation-of-motion coupled cluster with single and double substitutions for ionization potentials (EOM-IP-CCSD) is reported. The method (termed IP-CISD) treats the ground and excited doublet electronic states of an N-electron system as ionizing excitations from a closed-shell N+1-electron reference state. The method is naturally spin adapted, variational, and size intensive. The computational scaling is N(5), in contrast with the N(6) scaling of EOM-IP-CCSD. The performance and capabilities of the new approach are demonstrated by application to the uracil cation and water and benzene dimer cations by benchmarking IP-CISD against more accurate IP-CCSD. The equilibrium geometries, especially relative differences between different ionized states, are well reproduced. The average absolute errors and the standard deviations averaged for all bond lengths in all electronic states (58 values in total) are 0.014 and 0.007 A, respectively. IP-CISD systematically underestimates intramolecular distances and overestimates intermolecular ones, because of the underlying uncorrelated Hartree-Fock reference wave function. The IP-CISD excitation energies of the cations are of a semiquantitative value only, showing maximum errors of 0.35 eV relative to EOM-IP-CCSD. Trends in properties such as dipole moments, transition dipoles, and charge distributions are well reproduced by IP-CISD. PMID:19334814

  15. Crystal structure of 4-[(E-(4-hydroxybenzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Joel T. Mague

    2015-12-01

    Full Text Available The asymmetric unit of the title compound, C18H17N3O2, comprises three independent molecules (1, 2 and 3. In molecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6 and 28.72 (6°, respectively. The corresponding data for molecule 2 are 86.84 (6 and 25.69 (5°, respectively, and for molecule 3 are 47.41 (7 and 17.09 (7°, respectively. The three molecules feature an intramolecular C—H...O interaction, which closes an S(6 ring in each case. In the crystal, molecules are linked by O—H...O hydrogen bonds, which generate [100] chains incorporating all three asymmetric molecules. Two weak C—H...O interactions connect three independent molecules to each other along the c-axis direction.

  16. (2E-2-[(2H-1,3-Benzodioxol-5-ylmethylidene]-2,3-dihydro-1H-inden-1-one

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2012-04-01

    Full Text Available In the title compound, C17H12O3, each of the five-membered rings in the inden-1-one and 1,3-benzodioxole residues is almost planar (r.m.s. deviations = 0.041 and 0.033 Å, respectively. A small twist about the single bond linking the two residues is evident [the C—C—C—C torsion angle = 8.7 (4°]. Supramolecular zigzag layers propagating in the ac plane are formed in the crystal via C—H...O interactions. The layers are linked via π–π interactions between the five- and six-membered rings of 1,3-benzodioxole residues [centroid–centroid distance = 3.4977 (14 Å].

  17. Relationship between C2H2 reduction, H2 evolution and 15N2 fixation in root nodules of pea (Pisum sativum)

    DEFF Research Database (Denmark)

    Skøt, Leif

    1983-01-01

    after planting. After correction for H2 evolution in air, the factor (C2H2-H2)/N2 decreased to values near the theoretical value 3, or in one case to a value significantly (P electron flow through nitrogenase, which is not wasted in H2 production but used...... for N2 reduction, is often stated as the relative efficiency (1-H2/C2H2). This factor varied significantly (P electrons to H2 and N2, expressed as the H2/N2 ratio, was independent of plant age, however. This discrepancy and the observation...... that the (C2H2-H2)/N2 conversion factor tended to be lower than 3, suggests that the C2H2reduction assay underestimates the total electron flow through nitrogenase....

  18. (/sup 3/H)Clonazepam, like (/sup 3/H)flunitrazepam, is a photoaffinity label for the central type of benzodiazepine receptors

    Energy Technology Data Exchange (ETDEWEB)

    Sieghart, W. (Vienna Univ. (Austria)); Moehler, H. (Hoffmann-La Roche (F.) and Co., Basel (Switzerland))

    1982-06-16

    (/sup 3/H)Clonazepam, like (/sup 3/H)flunitrazepam, is irreversibly bound to membrane proteins of brain tissue when exposed to UV light. In polyacrylamide gel electrophoresis followed by fluorography, the same pattern of photolabelled proteins was obtained in cerebellum and in hippocampus when either (/sup 3/H)clonazepam or (/sup 3/H)flunitrazepam was used as photoaffinity label. Since (/sup 3/H)clonazepam does not interact with the peripheral type of benzodiazepine binding site present in the brain, these results confirm previous evidence that the proteins photolabelled with (/sup 3/H)flunitrazepam are associated with the central type of benzodiazepine receptor.

  19. Temporal pattern of incorporation of 3H precursors into pituitary glycoproteins and their subsequent release

    International Nuclear Information System (INIS)

    The temporal pattern of incorporation of various 3H precursors into glycoproteins by rat anterior pituitaries incubated in vitro and the release of 3H-glycoproteins was examined. [3H]Leucine incorporation was linear with respect to time and [3H]leucine-containing macromolecules appeared in the media in about 1 hr. The temporal pattern of [3H]mannose incorporation and release was similar. [3H]Galactose and [3H]fucose were incorporated after apparent time of delays of approximately 15 min and soon thereafter (20-25 min) appeared in the medium in 3H-glycoproteins. Thus, these precursors appear to be added as terminal residues. [3H]Glucosamine exhibited a pattern intermediate between [3H]leucine and [3H]fucose whereas [3H]GlcNAc appeared to be incorporated as a terminal residue

  20. The 3H-3He Charge Radii Difference

    Energy Technology Data Exchange (ETDEWEB)

    Myers, Luke S. [Bluffton University, Bluffton, OH; Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Arrington, John R. [Argonne National Lab. (ANL), Argonne, IL (United States); Higinbotham, Douglas W. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2016-03-01

    The upcoming E12-14-009 [1] experiment at Jefferson Lab will determine the ratio of the electric form factors for the A=3 mirror nuclei 3He and 3H. The measurement will use a 1.1 GeV electron beam, a special collimator plate to allow for simultaneous optics measurements, and the low-activity tritium target being prepared for Jefferson Lab. By observing the dependence of the form factor ratio as a function of Q2 over 0.05–0.09 GeV2, the dependence of the radii extraction on the shape of the form factors is minimized. As a result, we anticipate the uncertainty of the extracted charge radii difference to be 0.03 fm, a reduction of 70% from the current measurement. Using precise measurements of the 3He charge radius from isotopic shift or μHe measurements [2–4], we can deduce the absolute 3H charge radius. The results will provide a direct comparison to recent calculations of the charge radii.

  1. Evidence for Triangular D_3h Symmetry in 12C

    CERN Document Server

    Marin-Lambarri, D J; Freer, M; Gai, M; Kokalova, Tz; Parker, D J; Wheldon, C

    2014-01-01

    We report a measurement of a new high spin Jp = 5- state at 22.4(0.2) MeV in 12C which fits very well to the predicted (ground state) rotational band of an oblate equilateral triangular spinning top with a D_3h symmetry characterized by the sequence 0+, 2+, 3-, 4+/-, 5- with almost degenerate 4+ and 4- (parity doublet) states. Such a D_3h symmetry was observed in triatomic molecules and it is observed here for the first time in nuclear physics. We discuss a classification of other rotation-vibration bands in 12C such as the (0+) Hoyle band and the (1-) bending mode band and suggest measurements in search of the predicted ("missing") states that may shed new light on clustering in 12C and light nuclei. In particular the observation (or non-observation) of the predicted ("missing") states in the Hoyle band will allow us to conclude the geometrical arrangement of the three alpha-particle composing the Hoyle state at 7.654 MeV in 12C.

  2. Beryllium-induced immune response in C3H mice

    Energy Technology Data Exchange (ETDEWEB)

    Benson, J.M.; Bice, D.E.; Nikula, K.J. [and others

    1995-12-01

    Studies conducted at ITRI over the past several years have investigated whether Beagle dogs, monkeys, and mice are suitable models for human chronic beryllium-induced lung disease (CBD). Recent studies have focused on the histopathological and immunopathological changes occurring in A/J and C3H/HeJ mice acutely exposed by inhalation to Be metal. Lung lesions in both strains of mice included focal lymphocyte aggregates comprised primarily of B lymphocytes and lesser amounts of T-helper lymphocytes and microgranulomas consisting chiefly of macrophages and T-helper lymphocytes. The distribution of proliferating cells within the microgranulomas was similar to the distribution of T-helper cells. These results strongly suggested that A/J and C3H/HeJ mice responded to inhaled Be metal in a fashion similar to humans in terms of pulmonary lesions and the apparent in situ proliferation of T-helper cells. Results of these studies confirm lymphocyte involvement in the pulmonary response to inhaled Be metal.

  3. Preparation of (10R,S)-[10-3H] juvenile hormone III and (10R,S, 11S,R)-[10-3H] juvenile hormone O; conversion of [10-3H] juvenile hormone III to methyl (2E,6E)-[10-3H] farnesoate and (2E,6E)-[10-3H] farnesol

    International Nuclear Information System (INIS)

    Samples of racemic [10-3H]juvenile hormone III (methyl (2E,6E)-10,11 epoxy-3,7,11-trimethyl-2,6-dodecadienoate) and [10-3H]juvenile hormone 0 (methyl (2E,6E, 10cis)-3,7-diethyl-10,11-epoxy-11-methyl-2, 6-tridecadienoate) were prepared by NaB3H4 reduction of the corresponding 11-chloro-10-oxo ('chloroketone') precursors to their respective [10-3H] chlorohydrins, followed by treatment of the latter with potassium carbonate in methanol. [10-3H] Juvenile hormone III was converted to methyl [10-3H]farnesoate (methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate) by reduction with sodium iodide and zinc in acetic acid-sodium acetate. Further reduction of methyl [10-3H]farnesoate with diisobutyl aluminum hydride afforded a sample of [10-3H]farnesol ((2E, 6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-o1). (author)

  4. Bindings of /sup 3/H-prazosin and /sup 3/H-yohimbine to alpha adrenoceptors in the guinea-pig stomach

    Energy Technology Data Exchange (ETDEWEB)

    Taniguchi, T.; Nishikawa, H.

    1988-01-01

    Alpha adrenoceptor subtypes have been investigated by radioligand binding study in guinea-pig stomach using /sup 3/H-prazosin and /sup 3/H-yohimbine. The specific /sup 3/H-prazosin binding to guinea-pig stomach was saturable and of high affinity with a Bmax of 33 fmol/mg protein. Specific /sup 3/H-yohimbine binding to the tissue was also saturable and of high affinity with a Bmax of 150 fmol/mg protein. Adrenergic drugs competed for /sup 3/H-prazosin binding in order of prazosin > phentolamine > methoxamine > norepinephrine > clonidine > epinephrine > yohimbine. These drugs competed for /sup 3/H-yohimbine binding in order of yohimbine > phentolamine > clonidine > epinephrine > norepinephrine > prazosin > methoxamine. They also examined whether dopamine receptors exist in guinea-pig stomach, using radioligand binding study. Specific binding of /sup 3/H-spiperone, /sup 3/H-apomorphine, /sup 3/H-dopamine and /sup 3/H-domperidone was not detectable in the stomach. Dopaminergic drugs such as dopamine, haloperidol, domperidone and sulpiride competed for /sup 3/H-prazosin binding in order of haloperidol > domperidone > dopamine > sulpiride. Metoclopramide, sulpiride and dopamine competed for /sup 3/H-yohimbine binding in order of metoclopramide > sulpiride > dopamine.

  5. Synthesis of 1H-Tetrazole Acetic Acid%1H-四氮唑乙酸的合成

    Institute of Scientific and Technical Information of China (English)

    赵景瑞; 胡波; 张立东; 刘丽秀; 游淇; 岳涛

    2013-01-01

    以水合肼、单氰胺为起始原料,以85%收率合成5-氨基四氮唑;然后,发生去氨基还原反应,以95%收率得到1H-四氮唑;最后,在碱性条件下与氯乙酸发生亲核取代反应,以81.7%收率合成了1H-四氮唑乙酸.该合成路线均采用水作为反应媒介,总收率高于65%.重点针对1H-四氮唑的亲核取代反应进行优化,得出较佳工艺条件:反应温度为100℃,物料配比为n(1H-四氮唑):n(ClCH2 COOH)∶n(NaHCO3)=1∶1∶2.2,反应时间为20h.%A novel process of preparing 1H-tetrazole acetic acid is reported in this paper. Firstly, 5-amino tetrazole was synthesized from hydrazine hydrate and cyanamide with a yield of 85%. Then,the intermediate was subjected to the second step of deamination reaction to give 1H-tetrazole with the yield of 95 %. The last step was for 1H-tetrazole to go through nucleophilic substitution with chloroacetic acid. Under basic conditions, 1H-tetrazole acetic acid was produced from 1H-tetrazole and chloroacetic acid with a yield of 81. 7%. Water was used as the reaction medium in the above steps, and the total yield of 1H-tetrazole acetic acid was higher than 65% . The key focus of this paper was the optimization of nucleophilic substitution, and the optimum conditions were ascertained as follows; reaction temperature 100℃ ,n( 1H-tetrazole):n( C1CH2COOH) :n( NaHCO3) = 1:1:2. 2,reaction time 20 h.

  6. Synthesis of new 1H-1,2,3-triazole-1,4-naphthoquinones

    Directory of Open Access Journals (Sweden)

    Wagner O. Valença

    2012-06-01

    Full Text Available In this work, were synthesized new 1H-1,2,3-triazole-1,4-naphthoquinones via 1,3-dipolar cycloaddition reaction using CuI/acetonitrile without addition of base or ligand. The compounds (3a-i were obtained in moderate-to-good yields 45-92%. To prepare (3d, we obtain a mixture of (3d and (4 in a ratio 3:1, that it was difficult to separate. The low yield for the compound (3f can be also justified based in the formation of aminonaphthoquinone (4. The acetylation of (3h and (3i afforded the compounds (5 and (6 in 77% and 35% of yields, respectively. The low yield of (6 was due to formation of 35 % of the elimination product (7.

  7. An observational investigation of the identity of B11244 (l-C3H+/C3H-)

    International Nuclear Information System (INIS)

    Pety et al. have reported the detection of eight transitions of a closed-shell, linear molecule (B11244) in observations toward the Horsehead photodissociation region (PDR), which they attribute to the l-C3H+ cation. Recent high-level ab initio calculations have called this assignment into question; the anionic C3H– molecule has been suggested as a more likely candidate. Here, we examine observations of the Horsehead PDR, Sgr B2(N), TMC-1, and IRC+10216 in the context of both l-C3H+ and C3H–. We find no observational evidence of Ka = 1 lines, which should be present were the carrier indeed C3H–. Additionally, we find a strong anticorrelation between the presence of known molecular anions and B11244 in these regions. Finally, we discuss the formation and destruction chemistry of C3H– in the context of the physical conditions in the regions. Based on these results, we conclude there is little evidence to support the claim that the carrier is C3H–.

  8. Using 14C and 3H to understand groundwater flow and recharge in an aquifer window

    Science.gov (United States)

    Atkinson, A. P.; Cartwright, I.; Gilfedder, B. S.; Cendón, D. I.; Unland, N. P.; Hofmann, H.

    2014-12-01

    Knowledge of groundwater residence times and recharge locations is vital to the sustainable management of groundwater resources. Here we investigate groundwater residence times and patterns of recharge in the Gellibrand Valley, southeast Australia, where outcropping aquifer sediments of the Eastern View Formation form an "aquifer window" that may receive diffuse recharge from rainfall and recharge from the Gellibrand River. To determine recharge patterns and groundwater flow paths, environmental isotopes (3H, 14C, δ13C, δ18O, δ2H) are used in conjunction with groundwater geochemistry and continuous monitoring of groundwater elevation and electrical conductivity. The water table fluctuates by 0.9 to 3.7 m annually, implying recharge rates of 90 and 372 mm yr-1. However, residence times of shallow (11 to 29 m) groundwater determined by 14C are between 100 and 10 000 years, 3H activities are negligible in most of the groundwater, and groundwater electrical conductivity remains constant over the period of study. Deeper groundwater with older 14C ages has lower δ18O values than younger, shallower groundwater, which is consistent with it being derived from greater altitudes. The combined geochemistry data indicate that local recharge from precipitation within the valley occurs through the aquifer window, however much of the groundwater in the Gellibrand Valley predominantly originates from the regional recharge zone, the Barongarook High. The Gellibrand Valley is a regional discharge zone with upward head gradients that limits local recharge to the upper 10 m of the aquifer. Additionally, the groundwater head gradients adjacent to the Gellibrand River are generally upwards, implying that it does not recharge the surrounding groundwater and has limited bank storage. 14C ages and Cl concentrations are well correlated and Cl concentrations may be used to provide a first-order estimate of groundwater residence times. Progressively lower chloride concentrations from 10

  9. Synthesis and Antimicrobial Activity of Some Derivatives on the Basis (7-hydroxy-2-oxo-2H-chromen-4-yl-acetic Acid Hydrazide

    Directory of Open Access Journals (Sweden)

    Elizabeth Has-Schon

    2006-03-01

    Full Text Available (7-Hydroxy-2-oxo-2H-chromen-4-yl-acetic acid hydrazide (2 was prepared from (7-hydroxy-2-oxo-2H-chromen-4-yl-acetic acid ethyl ester (1 and 100% hydrazine hydrate. Compound 2, is the key intermediate for the synthesis of several series of new compounds such as Schiff’s bases 3a-l, formic acid N'-[2-(7-hydroxy-2-oxo-2H- chromen-4-ylacetyl] hydrazide (4, acetic acid N'-[2-(7-hydroxy-2-oxo-2H-chromen-4- yl-acetyl] hydrazide (5, (7-hydroxy-2-oxo-2H-chromen-4-yl-acetic acid N'-[2-(4- hydroxy-2-oxo-2H-chromen-3-yl-2-oxoethyl] hydrazide (6, 4-phenyl-1-(7-hydroxy-2- oxo-2H-chromen- 4-acetyl thiosemicarbazide (7, ethyl 3-{2-[2-(7-hydroxy-2-oxo-2H- chromen-4-yl-acetyl]hydrazono}butanoate (8, (7-hydroxy-2-oxo-2H-chromen-4-yl- acetic acid N'-[(4-trifluoromethylphenyliminomethyl] hydrazide (9 and (7-hydroxy-2- oxo-2H-chromen-4-ylacetic acid N'-[(2,3,4-trifluorophenylimino-methyl] hydrazide (10. Cyclo- condensation of compound 2 with pentane-2,4-dione gave 4-[2-(3,5- dimethyl-1H-pyrazol-1-yl-2-oxoethyl]-7-hydroxy-2H-chromen-2-one (11, while with carbon disulfide it afforded 7-hydroxy-4-[(5-mercapto-1,3,4-oxadiazol-2-ylmethyl]-2H- chromen-2-one (12 and with potassium isothiocyanate it gave 7-hydroxy-4-[(5- mercapto-4H-1,2,4-triazol-3-ylmethyl]-2H-chromen-2-one (14. Compound 7 was cyclized to afford 2-(7-hydroxy-2-oxo-2H-chromen-4-yl-N ́-(4-oxo-2-phenylimino- thiazolidin-3-yl acetamide (15.

  10. Autoradiographic studies of oleilanilide-3H distribution in rat tissues

    International Nuclear Information System (INIS)

    In this work the possibility that oleilanilides are involved in the pathgenesis of ''toxic syndrome'' is studied. Oleilanilide-3H labelled in the anilidi aromatic ring has been used to determine the distribution, localization and incorporation of that compound in several tissues of rats. Liquid scintillation counting for quantitative evaluation of the total radioactivity accumulated in the tissues, as well as autoradiographic techniques have been employed as analytical procedures. Results obtained from measurement of total radioactivity have shown accumulation of oleilanilide or its metabolites in all the studied tissues, mainly in the liver. No specific radioactivity localization has been detected by autoradiographic techniques, being the labelled molecules distributed in cytaplasm and cell interstice. (Author)

  11. Molecular characterization of barley 3H semi-dwarf genes.

    Directory of Open Access Journals (Sweden)

    Haobing Li

    Full Text Available The barley chromosome 3H accommodates many semi-dwarfing genes. To characterize these genes, the two-rowed semi-dwarf Chinese barley landrace 'TX9425' was crossed with the Australian barley variety 'Franklin' to generate a doubled haploid (DH population, and major QTLs controlling plant height have been identified in our previous study. The major QTL derived from 'TX9425' was targeted to investigate the allelism of the semi-dwarf gene uzu in barley. Twelve sets of near-isogenic lines and a large NILF2 fine mapping population segregating only for the dwarfing gene from 'TX9425' were developed. The semi-dwarfing gene in 'TX9425' was located within a 2.8 cM region close to the centromere on chromosome 3H by fine mapping. Molecular cloning and sequence analyses showed that the 'TX9425'-derived allele contained a single nucleotide substitution from A to G at position 2612 of the HvBRI1 gene. This was apparently the same mutation as that reported in six-rowed uzu barley. Markers co-segregating with the QTL were developed from the sequence of the HvBRI1 gene and were validated in the 'TX9425'/'Franklin' DH population. The other major dwarfing QTL derived from the Franklin variety was distally located on chromosome 3HL and co-segregated with the sdw1 diagnostic marker hv20ox2. A third dwarfing gene, expressed only in winter-sown trials, was identified and located on chromosome 3HS. The effects and interactions of these dwarfing genes under different growing conditions are discussed. These results improve our understanding of the genetic mechanisms controlling semi-dwarf stature in barley and provide diagnostic markers for the selection of semi-dwarfness in barley breeding programs.

  12. Analysis of intracranial cystic disease on 1H MR spectroscopy

    International Nuclear Information System (INIS)

    Objective: To analyze the features of intracrayze the features of intracranial cystic diseases on 1H MRS, and to evaluate the applicable value of 1H MRS. Methods: Fifty-two patients were examinated by single voxel 1H MRS, included I-II graded astrocytomas (n=8), glioblastomas (n=9), metastasis (n=13), brain abscesses (n=10), epidermoids (n=4), anachnoid cysts (n=5), brain Cysticerciasis (n=3). Results: (1) There was only Lac in I-II graded astrocytomas. But in glioblastomas, as were as all showed Lac, 4 cases showed low Cho and NAA and 2 cases Lip. (2) In 13 metastasis patients, 7 cases only presented Lac, 6 cases showed Cho, 3 cases showed low NAA and 6 ones Lip. (3) In brain abscesses, all showed Lac, 9 cases displayed AA, 6 cases showed Ace, 5 cases appeared Suc and Ala, 2 eases had Lip. (4) Four eases of epidermoid showed Lac, one showed Lip. In 4 arachnoid cysts, 2 cases had low Lac, one showed Lip. Three cases of cysticercosis showed Lac, Ace, Suc, Ala and no AA, Cho, NAA. Conclusion: Lac is the most common resonance peak on 1H MRS in intracranial cystic diseases and for no diagnostic specificity. AA combined Ace, Suc, and Ala are highly specificity for brain abscess. Ace, Suc and Ala appearance cues the the possible existence of cysticercosis. 1H MRS is helpful for the qualitative diagnosis of intracranial disease. (authors)

  13. Exploring the dynamics of C/H and C/Cl exchanges in the C(3P) + C2H3Cl reaction

    Science.gov (United States)

    Lee, Shih-Huang; Chen, Wei-Kan; Chin, Chih-Hao; Huang, Wen-Jian

    2013-10-01

    The dynamics of the C(3P) + C2H3Cl reaction at collision energy 3.8 kcal mol-1 was investigated in a crossed molecular-beam apparatus using synchrotron vacuum-ultraviolet ionization. Time-of-flight spectra of products C3H2Cl, C3H3, and Cl were recorded at various laboratory scattering angles, from which translational-energy distributions and angular distributions of product channels C3H2Cl + H and C3H3 + Cl were derived. Cl correlates satisfactorily with C3H3 in linear momentum and angular distributions, which confirms the production of C3H3 + Cl. The H-loss (Cl-loss) channel has average translational-energy release 14.3 (8.8) kcal mol-1 corresponding to a fraction 0.30 (0.14) of available energy into the translational degrees of freedom of product HCCCHCl + H (H2CCCH + Cl). The branching ratio of channel H to channel Cl was determined approximately as 12:88. The measurements of translational-energy releases and photoionization thresholds cannot distinguish HCCCHCl from H2CCCCl because both isomers have similar enthalpy of formation and ionization energy; nevertheless, the Rice-Ramsperger-Kassel-Marcus calculation prefers HCCCHCl. The measurement of photoionization spectra identifies product C3H3 as H2CCCH (propargyl). Both products C3H2Cl + H and C3H3 + Cl might correlate to the same triplet intermediate H2CCCHCl but have distinct angular distributions; the former is nearly isotropic whereas the latter is forward biased. A comparison with the C(3P) + C2H3F reaction is stated.

  14. The H+3 + H2 isotopic system. Origin of deuterium astrochemistry

    International Nuclear Information System (INIS)

    Dense cold molecular clouds reckoned to be stellar nurseries are the scene of an extreme molecular deuteration. Despite the cosmic D/H ratio of ∝10-5, molecular species in prestellar cores are observed to contain nearly as much deuterium as hydrogen. This astonishing deuterium enrichment promoted by low temperatures is the work of H+3. It is the key species which unlocks the deuterium from its HD reservoir via reactions like H+3+HD ↔ H2D++H2 and drags it further to other species in successive reactions. For this reason, the H+3+H2 isotopic system is outstandingly critical for the astrochemistry of cold environments. However, its understanding is yet incomplete and insufficient. This thesis thus focuses on the H+3+H2 isotopic system from a theoretical, experimental and astronomical point of view giving a particular look into the role of nuclear spins. As a first step, the stringent nuclear spin selection rules in associative, dissociative and reactive collisions are investigated. This purely theoretical study zooms into the details of the nuclear spin wavefunctions and shows that their permutation symmetry representation is necessary and sufficient, contrary to their angular momentum representation. Additionally, a new deterministic interpretation of nuclear spins in chemical reactions is proposed. Based on these considerations, a complete set of state-to-state rate coefficients for all H+3 + H2 isotopic variants is calculated using a microcanonical model leaned on phase space theory. An experimental study is conducted in parallel with a 22-pole ion trap apparatus in order to inspect the influences of temperature and H2 ortho-to-para ratio. The good overall agreement between experimental and theoretical results supports the validity and utility of the calculated set of rate coefficients. Furthermore, the potentiality of the 22-pole ion trap apparatus is explored via the Laser Induced Reaction (LIR) technique applied to our system of interest. High resolution

  15. Selective labeling of serotonin uptake sites in rat brain by (/sup 3/H)citalopram contrasted to labeling of multiple sites by (/sup 3/H)imipramine

    Energy Technology Data Exchange (ETDEWEB)

    D' Amato, R.J.; Largent, B.L.; Snowman, A.M.; Snyder, S.H.

    1987-07-01

    Citalopram is a potent and selective inhibitor of neuronal serotonin uptake. In rat brain membranes (/sup 3/H)citalopram demonstrates saturable and reversible binding with a KD of 0.8 nM and a maximal number of binding sites (Bmax) of 570 fmol/mg of protein. The drug specificity for (/sup 3/H)citalopram binding and synaptosomal serotonin uptake are closely correlated. Inhibition of (/sup 3/H)citalopram binding by both serotonin and imipramine is consistent with a competitive interaction in both equilibrium and kinetic analyses. The autoradiographic pattern of (/sup 3/H)citalopram binding sites closely resembles the distribution of serotonin. By contrast, detailed equilibrium-saturation analysis of (/sup 3/H)imipramine binding reveals two binding components, i.e., high affinity (KD = 9 nM, Bmax = 420 fmol/mg of protein) and low affinity (KD = 553 nM, Bmax = 8560 fmol/mg of protein) sites. Specific (/sup 3/H)imipramine binding, defined as the binding inhibited by 100 microM desipramine, is displaced only partially by serotonin. Various studies reveal that the serotonin-sensitive portion of binding corresponds to the high affinity sites of (/sup 3/H)imipramine binding whereas the serotonin-insensitive binding corresponds to the low affinity sites. Lesioning of serotonin neurons with p-chloroamphetamine causes a large decrease in (/sup 3/H)citalopram and serotonin-sensitive (/sup 3/H)imipramine binding with only a small effect on serotonin-insensitive (/sup 3/H)imipramine binding. The dissociation rate of (/sup 3/H)imipramine or (/sup 3/H)citalopram is not altered by citalopram, imipramine or serotonin up to concentrations of 10 microM. The regional distribution of serotonin sensitive (/sup 3/H)imipramine high affinity binding sites closely resembles that of (/sup 3/H)citalopram binding.

  16. Localized double-quantum-filtered 1H NMR spectroscopy

    Science.gov (United States)

    Thomas, M. A.; Hetherington, H. P.; Meyerhoff, D. J.; Twieg, D. B.

    The image-guided in vivo spectroscopic (ISIS) pulse sequence has been combined with a double-quantum-filter scheme in order to obtain localized and water-suppressed 1H NMR spectra of J-coupled metabolites. The coherence-transfer efficiency associated with the DQ filter for AX and A 3X spin systems is described. Phantom results of carnosine, alanine, and ethanol in aqueous solution are presented. For comparison, the 1H NMR spectrum of alanine in aqueous solution with the binomial (1331, 2662) spin-echo sequence is also shown.

  17. 脑胶质瘤的1H MRS

    Institute of Scientific and Technical Information of China (English)

    杨桂芬; 田伟

    2005-01-01

    活体质子磁共振波谱(proton magnetic resonance spectroscopy,1H MRS)由于能够无创性检测肿瘤组织及正常表观组织代谢物的变化,目前在胶质瘤的分级、诊断、范围确定及鉴别诊断中有积极的应用价值。本文主要介绍1H MRS在胶质瘤中的研究现状。

  18. Design and syntheses of hybrid metal-organic materials based on K3[M(C2O4)3]·3H2O [M(III)=Fe, Al, Cr] metallotectons

    Science.gov (United States)

    Sun, Yayong; Zong, Yingxia; Ma, Haoran; Zhang, Ao; Liu, Kang; Wang, Debao; Wang, Wenqiang; Wang, Lei

    2016-05-01

    By using K3[M(C2O4)3]·3H2O [M(III)=Fe, Al, Cr] (C2O42-=oxalate) metallotectons as the starting material, we have synthesized eight novel complexes with formulas [{Fe(C2O4)2(H2O)2}2]·(H-L1)2·H2O 1, [Fe(C2O4)Cl2]·(H2-L2)0.5·(L2)0.5·H2O 2, [{Fe(C2O4)1.5Cl2}2]·(H-L3)43, [Fe2(C2O4)Cl8]·(H2-L4)2·2H2O 4, K[Al(C2O4)3]·(H2-L5)·2H2O 5, K[Al(C2O4)3]·(H-L6)2·2H2O 6, K[Cr(C2O4)3]·2H2O 7, Na[Fe(C2O4)3]·(H-L6)2·2H2O 8 (with L1=4-dimethylaminopyridine, L2=2,3,5,6-tetramethylpyrazine, L3=2-aminobenzimidazole, L4=1,4-bis-(1H-imidazol-1-yl)benzene, L5=1,4-bis((2-methylimidazol-1-yl)methyl)benzene, L6=2-methylbenzimidazole). Their structures have been determined by single-crystal X-ray diffraction analyses, elemental analyses, IR spectra and thermogravimetric analyses. Compound 3 is a 2D H-bonded supramolecular architecture. Others are 3D supramolecular structures. Compound 1 shows a [Fe(C2O4)2(H2O)2]- unit and 3D antionic H-bonded framework. Compound 2 features a [Fe(C2O4)Cl2]- anion and 1D iron-oxalate-iron chain. Compound 3 features a [Fe2(C2O4)3Cl4]4- unit. Compound 4 features distinct [Fe2(C2O4)Cl8]4- units, which are mutual linked by water molecules to generated a 2D H-bonded network. Compound 5 features infinite ladder-like chains constructed by [Al(C2O4)3]3- units and K+ cations. The 1D chains are further extended into 3D antionic H-bonded framework through O-H···O H-bonds. Compounds 6-8 show 2D [KAl(C2O4)3]2- layer, [KCr(C2O4)3]2- layer and [NaFe(C2O4)3]2- layer, respectively.

  19. Theoretical Studies on N2H+O Reaction

    Institute of Scientific and Technical Information of China (English)

    L(U) Ying-wen; L(U) Wen-cai; SU Zhong-min

    2008-01-01

    The N2H+O potential energy profile was studied at the CCSD(T)/6-311G++(dfp)//MP2/6-311G(d,p) level.Reactions associated with four intermediates(cis-HNNO, trans-HNNO, NNHO, and NNOH) were investigated. The results indicate that N2H+O reaction toward H+N2O is more favored than that toward N2+OH, consistent with previous experimental studies. The pathways for the two reactions are found to go through cis-HNNO, transition state, and finally to the products. The N2H+O→NH+NO reaction was studied in detail. Product NO in such a reaction is likely to occur via cis-HNNO, followed by trans-HNNO, and finally dissociates into NH+NO. These results suggest that N2H+O→NH+NO is an important channel in NO production.

  20. SMA Observations of W3(OH) Complex: Physical and Chemical Differentiation between W3(H$_2$O) and W3(OH)

    CERN Document Server

    Qin, Sheng-Li; Wu, Jingwen; Wu, Yuefang; Liu, Tie; Liu, Ying; Sánchez-Monge, Álvaro

    2015-01-01

    We report on the Submillimeter Array (SMA) observations of molecular lines at 270 GHz toward W3(OH) and W3(H$_2$O) complex. Although previous observations already resolved the W3(H$_2$O) into two or three sub-components, the physical and chemical properties of the two sources are not well constrained. Our SMA observations clearly resolved W3(OH) and W3(H$_2$O) continuum cores. Taking the advantage of the line fitting tool XCLASS, we identified and modeled a rich molecular spectrum in this complex, including multiple CH$_3$CN and CH$_3$OH transitions in both cores. HDO, C$_2$H$_5$CN, O$^{13}$CS, and vibrationally excited lines of HCN, CH$_3$CN, and CH$_3$OCHO were only detected in W3(H$_2$O). We calculate gas temperatures and column densities for both cores. The results show that W3(H$_{2}$O) has higher gas temperatures, and larger column densities than W3(OH) as previously observed, suggesting physical and chemical differences between the two cores. We compare the molecular abundances in W3(H$_2$O) to those i...

  1. PLASMA POLYMERIZATION OF ACETYLENE/CO2/H2

    Institute of Scientific and Technical Information of China (English)

    ZHENG Ji; FANG Yuee; SHI Tianyi; SHOHEI INOUE

    1989-01-01

    A study has been made on the plasma polymerization of acetylene/CO2/H2 in a capacitively coupled RF plasma. The monomer mixture yielded a crosslinked film with light brown color. A kinetic study is reported for the plasma polymerization of acetylene/CO2/H2. The effects of discharge power level and reactor geometry on the rate of polymer formation are reported. The structure of the plasma polymer is investigated by IR study.

  2. Synthesis and antimicrobial activities of 1-(3-benzyl-4-oxo-3H-quinazolin-2-yl-4-(substitutedthiosemicarbazide derivatives

    Directory of Open Access Journals (Sweden)

    Alagarsamy Veerachamy

    2015-01-01

    Full Text Available A series of 1-(3-benzyl-4-oxo-3H-quinazolin-2-yl-4-(substituted thiosemicarbazides (AS1-AS10 were obtained by the reaction of 2-hydrazino- 3-benzyl quinazolin-4(3H-one (6 with different dithiocarbamic acid methyl ester derivatives. The key intermediate 3-benzyl-2-thioxo-2,3-dihydro-1Hquinazolin-4-one (4 was obtained by reacting benzyl amine (1 with carbon disulphide and sodium hydroxide in dimethyl sulphoxide to give sodium dithiocarbamate, which was methylated with dimethyl sulfate to yield the dithiocarbamic acid methyl ester (2 and condensed with methyl anthranilate (3 in ethanol yielded the desired compound (4 via the thiourea intermediate. The SH group of compound (4 was methylated for the favorable nucleophilic displacement reaction with hydrazine hydrate, which afford 2-hydrazino-3- benzyl-3H-quinazolin-4-one (6. The IR, 1H, and 13C NMR spectrum of these compounds showed the presence of peaks due to thiosemicarbazides, carbonyl (C=O, NH and aryl groups. The quinazolin-4-one moiety molecular ion peaks (m/z 144 were observed all the mass spectrum of compounds (AS1-AS10. Elemental (C, H, N analysis satisfactorily confirmed purity of the synthesized compounds and elemental composition. All synthesized compounds were also screened for their antimicrobial activity against selective gram positive and gram negative by agar dilution method. In the present study compounds AS8 and AS9 were emerged as the most active compounds of the series.

  3. Synthesis, characterization and biological activity of 2-methyl-3-aminoquinazolin-4(3H)-ones Schiff bases

    International Nuclear Information System (INIS)

    The 3-amino-2-methyl quinazoline/6-bromo-2-methyl quinazoline-4(3H)-ones, 2a,b, on treatment with 2,3-indolinedione in the presence of traces of glacial acetic acid yielded 3-{(2'-oxo-1',2'-dihydroindole-3'-ylidene)amino}-2-methylquinazolin/6-bromo -2-methylquinazolin-4-(3H)- ones, 3a,b, which on condensation with various secondary amines and formaldehyde in ethanol afforded title compounds 3-{(1'-alkyl/arylaminomethyl-2'-oxo-1',2'-dihydroindole-3'-ylidene) amino}-2-methyl-6-quinazolin-4-(3H)-ones, 4a1-6 and 4b1-6. C, H, N analysis, infrared spectroscopy, 1H NMR, and mass spectroscopy allowed the identification of the synthesized compounds, which were investigated for their antimicrobial, analgesic, anti-inflammatory and antihelmintic activities. The results of the biological activities revealed that the compounds 4a3, 4a4 and 4b6 exhibited significant analgesic and anti-inflammatory activities. Compounds 4b5 and 4b6 showed antihelmintic activity when tested against Pheretima posthuma. (author)

  4. 5-Ureido-3,3-diphenyl-3H-naphtho[2,1-b]pyrans: Photoswitchable self-assembling architectures

    OpenAIRE

    Sallenave, X.; S. Delbaere; S. Ahmed; Vermeersch, G.; Pozzo, J. L.

    2004-01-01

    5-Ureido-3,3-diphenyl-3H-naphtho[2,1-b]pyrans have been synthesized and their photochromic properties have been quantified using UV-Visible spectroscopy. The urea pattern is responsive for the selfassembling properties under both colourless and coloured forms whereas the corresponding amino derivatives do not show any aggregative properties. The geometries of the different states have been assigned using 1H and 19F NMR spectroscopies, and thereafter their respective kind of aggregates could b...

  5. Synthesis of 5-[5-(4-Nitrobenzyl)-2H-tetrazol-2-methylene]-2-aroylamino-1,3,4-thiadiazoles%5-[5-(4-硝基苄基)-2H-四唑亚甲基]-2-芳酰氨基-1,3,4-噻二唑的合成

    Institute of Scientific and Technical Information of China (English)

    孙乐; 范晓东; 张自义

    2004-01-01

    1-[5-(4-硝基苄基)-2H-四唑乙酰基]-4-芳酰氨基硫脲(自制)在冰醋酸的存在下,经脱水、环化制备了5-[5-(4-硝基苄基)-2H-四唑亚甲基]-2-芳酰氨基-1,3,4-噻二唑.其结构经元素分析,IR,1H NMR和MS确认.%5-[5-(4-Nitrobenzyl)-2H-tetrazol-2-methylene]-2-aroylamino-1,3,4-thiadiazoles were synthesized by dehydration of 1-[5-(4-nitrobenzyl)-2H-tetrazol-2-acetyl]-4-aroylthiosemicarbazides under glacial acetic acid and their structures were determined by elemental analysis, IR,1H NMR and MS.

  6. Detection of the Elusive Triazane Molecule (N3 H5 ) in the Gas Phase.

    Science.gov (United States)

    Förstel, Marko; Maksyutenko, Pavlo; Jones, Brant M; Sun, Bing-Jian; Chen, Shih-Hua; Chang, Agnes H-H; Kaiser, Ralf I

    2015-10-26

    We report the detection of triazane (N3 H5 ) in the gas phase. Triazane is a higher order nitrogen hydride of ammonia (NH3 ) and hydrazine (N2 H4 ) of fundamental importance for the understanding of the stability of single-bonded chains of nitrogen atoms and a potential key intermediate in hydrogen-nitrogen chemistry. The experimental results along with electronic-structure calculations reveal that triazane presents a stable molecule with a nitrogen-nitrogen bond length that is a few picometers shorter than that of hydrazine and has a lifetime exceeding 6±2 μs at a sublimation temperature of 170 K. Triazane was synthesized through irradiation of ammonia ice with energetic electrons and was detected in the gas phase upon sublimation of the ice through soft vacuum ultraviolet (VUV) photoionization coupled with a reflectron-time-of-flight mass spectrometer. Isotopic substitution experiments exploiting [D3 ]-ammonia ice confirmed the identification through the detection of its fully deuterated counterpart [D5 ]-triazane (N3 D5 ).

  7. In vivo labeling of cocaine receptors with sup 3 H-(-) cocaine, sup 3 H-WIN 35,065-2 and sup 3 H-WIN 35,428

    Energy Technology Data Exchange (ETDEWEB)

    Scheffel, U.; Boja, J.W.; Stathis, M.; Kuhar, M.J. (Johns Hopkins Medical Institutions, Baltimore, MD (United States))

    1990-02-26

    {sup 11}C-(-)cocaine (-COC) has recently been employed to image -COC binding sites in vivo using PET. Two analogs of -COC, WIN 35,065-2 (WIN-2) and WIN 35,428 (CFT), have been shown in vitro to exhibit higher affinity for the -COC receptor than -COC. The present study evaluates {sup 3}H-WIN-2 and {sup 3}H-CFT as in vivo receptor labels in mice with a view towards the use of these compounds as PET ligands for -COC receptors in the living human brain. {sup 3}H-labeled -COC, WIN-2 and CFT were injected i.v. into mice and their specific binding in the CNS determined. Peak striatal/cerebellar (S/C) ratios were reached at 5 minutes post injection with -COC (1.56), at 45 minutes with {sup 3}H-WIN-2 (3.30) and 60 minutes with {sup 3}H-CFT (4.0). The specificity of in vivo binding of {sup 3}H-WIN-2 and {sup 3}H-CFT was tested by pre-injection of various drugs. Binding of {sup 3}H-WIN-2 and {sup 3}H-CFT was dose-dependently blocked by cold WIN-2 and CFT, and by dopamine uptake site inhibitors (mazindol, GBR 12,909, nomifensine), but not by (+)COC, paroxetine and desipramine. The data indicate that {sup 3}H-WIN-2 and {sup 3}H-CFT exhibit improved in vivo binding (higher S/C ratios, longer retention time at the -COC receptor/dopamine transporter) compared to -COC and support their testing in PET studies.

  8. Enhancement of radiation effect by Ginkgo biloba extract in C3H mouse fibrosarcoma

    International Nuclear Information System (INIS)

    Background and purpose: Ginkgo biloba leaf extract (GBE) is known to increase peripheral blood circulation. The hypothesis that GBE may be able to enhance radiosensitivity of tumor by improving tumor blood flow and thus decreasing hypoxic fraction was tested. Materials and methods: Fibrosarcoma (FSaII) growing in C3H mouse leg muscle was used as a tumor model. GBE was given i.p. 1 h before irradiation with or without priming dose given 1 day earlier. Effect on tumor and normal tissue radiation reaction was investigated. Results: Tumor growth delay by radiation was more elongated after two doses (1-day interval) of GBE than after a single dose. Radiation dose for 3-day tumor growth delay was decreased from 12.45 (10.97-13.93) Gy to 6.06 (3.89-8.22) Gy by two doses of GBE [enhancement ratio=2.06 (1.32-2.79)]. Hypoxic cell fraction was 10.6% (6.3-18.2%) for control, 7.2% (3.8-14.0%) after a single dose (P=0.18) and 2.7% (1.5-5.0%) after two doses (P<0.001). Radiation effect on normal tissue, estimated by acute skin reaction and jejunal crypt assay, was not affected by GBE. Conclusion: Ginkgo biloba extract enhances radiation effect on tumor without increasing acute normal tissue radiation damage in this model system probably by increasing tumor blood flow and further investigation for this possible radiosensitizer is needed

  9. Metabolite Characterization in Peritoneal Dialysis Effluent Using High-resolution 1H and 1H-13C NMR Spectroscopy

    CERN Document Server

    Guleria, Anupam; Rawat, Atul; Khetrapal, C L; Prasad, Narayan; Kumar, Dinesh

    2014-01-01

    Metabolite analysis of peritoneal dialysis (PD) effluent may provide information regarding onset and progression of complications associated with prolonged PD therapy. In this context, the NMR detectable small metabolites of PD effluent samples were characterized using high resolution 1H and 1H-13C NMR spectroscopy. The various spectra were recorded (at 800 MHz proton frequency) on PD effluent samples obtained after 4 hour (intraperitoneal) dwell time from patients with end stage renal failure (ESRF) and continuing normally on PD therapy. Inspite of devastating spectral feature of PD effluent due to the presence of intense resonances from glucose and lactate, we were able to identify about 53 small endogenous metabolites (including many complex coupled spin systems) and more than 90 % of the total CH cross peaks of 1H-13C HSQC spectrum were identified specific to various metabolites of PD effluent. We foresee that the characteristic fingerprints of various metabolites of control PD effluent samples will be us...

  10. Elimination of 3H-methylguanidine at limited renal function

    International Nuclear Information System (INIS)

    The serum levels, hepatic and renal excretions and the tissue concentrations of 3H methyl guanidine 60 to 90 minutes after intravenous injection were measured in rats with healthy kidneys and rats with experimental renal insufficiences. The following results were obtained: Methyl guanidine is quickly eliminated through the kidney and the liver of organisms with healthy kidneys. In the case of experimental renal insufficiency, the renal excretion of methyl guanidine is reduced, whilst the hepatic excretion is increased. Methyl guanidine is subject to an enterohepatic circuit. Methyl guanidine can accumulate to much higher levels in various tissues examined than in serum. The highest organ accumulation level of methyl guanidine was found in the case of renal insufficiency. The most important finding of the study accordingly is the partial rehabilitation of methyl guanidine as a potential uremic poison. In the author's opinion, too much attention has so far been paid to the serum concentration, and too little attention to the tissue level of the substance. (orig.)

  11. Tissue Distribution of [3H]—Nicotine in Rats

    Institute of Scientific and Technical Information of China (English)

    ParimalChowdhury; RyuichiroDOI; 等

    1993-01-01

    This study was conducted in adult male Sprageue-Dawley rats to determine the distribution of [3H]-nicotine in blood and tissues following a bolus injection and a constant infusion of pure nicotine.The animalw were anesthetized and injectd with either 0.5ml of nicotine solution or given a constant infusion of the same nicotine solution with indentical amounts of radioactive nicotine.After sacrifice.blood,brain,trachea,salivery gland, esophagus,lung,heart,liver,fundus,antrum,spleen,pancreas,duodenum,jejunum,ileum, cecum,colon,kidneys,adrenal gland,and testes were collected and measured for radioactivity by scintillation counting.The distribution of nicotine was found highest in kidneys by both routes of administration.Higher accumulations were also found in salivary and adrenal glands,fundus,antrum,duodenum,jejunum,ileum and colon.Retention of nicotine via constant infusion was significantly higher in esophagus,fundus antrum,spleen,cecum, pancreas,testes,heart and muscle when compared with bolus injection,Six-fold increase in retention of blood levels of nicotine were ofund with constant infusion.(P<0.05).The results indicate that longer retention of nicotine occurs in blood and other specific tissues such as esophagus,fundus,antrum,spleen,cecum,pancreas,testes,heart and muscle via constant exposure.These data may implicate the predisposition of these tissues to patologic manifestations.

  12. Monitoring of atmospheric 3H around Kakrapar Atomic Power Station

    International Nuclear Information System (INIS)

    Atmospheric tritium activity was measured regularly around Kakrapar Atomic Power Station (KAPS) since gaseous waste which contains tritium is being released through a 100 m high stack at KAPS site. Data collected shows a large variation of 3H concentration in air, fluctuating in the range of ≤0.2-19.9 Bq x m-3. Significantly, higher tritium levels were measured in samples at the site boundary (1.6 km) of KAPS compared to off-site locations. The atmospheric dilution factor was found to be in the range of 1.1 x 10-7 - 2.9 x 10-7 s x m-3. The scavenging ratio of KAPS site was found to be varying from 0.4 x 104 to 16.7 x 104 (Bq x m-3 rain water per Bq x m-3 air). The inhalation dose to a member of general public at different distances (1.6-30 km) from KAPS site was found to be 0.07 μSv x y-1. (author)

  13. Monitoring of atmospheric 3H around Narora Atomic Power Station

    International Nuclear Information System (INIS)

    Atmospheric tritium activity is measured regularly around Narora Atomic Power Station (NAPS) since gaseous waste, which contains tritium, is being released through a 145 m high stack at NAPS site. Atmospheric data collected during 2004-2008 shows a large variation of 3H concentration in air, fluctuating in the range of ≤0.2-91.6 Bq m-3. Significantly, higher tritium levels were measured in samples near the site boundary (1.6 km) of NAPS compared to off-site locations. The atmospheric dilution factor was found to be in the range of 1.1 x 10-7-7.3 x 10-7 s m-3. The scavenging ratio of NAPS site was found to be varying from 0.2 x 104 to 14.1 x 104 (Bq m-3 rain water per Bq m-3 air). The inhalation dose to a member of general public at different distances (1.6-30 km) from NAPS site was found to be ranged from 0.08-0.21 μSv year-1. (author)

  14. Nuclear receptor NR1H3 in familial multiple sclerosis

    Science.gov (United States)

    Wang, Zhe; Sadovnick, A. Dessa; Traboulsee, Anthony L.; Ross, Jay P.; Bernales, Cecily Q.; Encarnacion, Mary; Yee, Irene M.; de Lemos, Madonna; Greenwood, Talitha; Lee, Joshua D.; Wright, Galen; Ross, Colin J.; Zhang, Si; Song, Weihong; Vilariño-Güell, Carles

    2016-01-01

    SUMMARY Multiple sclerosis (MS) is an inflammatory disease characterized by myelin loss and neuronal dysfunction. Despite the aggregation observed in some families, pathogenic mutations have remained elusive. In this study we describe the identification of NR1H3 p.Arg415Gln in seven MS patients from two multi-incident families presenting severe and progressive disease, with an average age at onset of 34 years. Additionally, association analysis of common variants in NR1H3 identified rs2279238 conferring a 1.35-fold increased risk of developing progressive MS. The p.Arg415Gln position is highly conserved in orthologs and paralogs, and disrupts NR1H3 heterodimerization and transcriptional activation of target genes. Protein expression analysis revealed that mutant NR1H3 (LXRA) alters gene expression profiles, suggesting a disruption in transcriptional regulation as one of the mechanisms underlying MS pathogenesis. Our study indicates that pharmacological activation of LXRA or its targets may lead to effective treatments for the highly debilitating and currently untreatable progressive phase of MS. PMID:27253448

  15. Liver Metabolite Concentrations Measured with 1H MR Spectroscopy

    OpenAIRE

    Ouwerkerk, Ronald; PETTIGREW, RODERIC I.; Gharib, Ahmed M.

    2012-01-01

    In vivo measurement of liver choline concentrations in healthy humans is feasible, and even measurement of glycogen can be achieved in some patients at 3.0 T with point-resolved 1H MR spectroscopy by using navigator-guided synchronization to respiratory motion and state-of-the-art B0 field shimming techniques.

  16. Applications of 1H-NMR to Biodiesel Research

    Science.gov (United States)

    Biodiesel is an alternative diesel fuel derived from vegetable oils, animal fats, or used cooking oils. It is produced by reacting these materials with an alcohol in the presence of a catalyst to give the corresponding mono-alkyl esters. 1H-NMR is a routine analytical method that has been used for...

  17. Synthesis, structure and NMR characterization of a new monomeric aluminophosphate [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4 containing four different types of monophosphates

    Science.gov (United States)

    Chen, Peng; Li, Jiyang; Xu, Jun; Duan, Fangzheng; Deng, Feng; Xu, Ruren

    2009-03-01

    A new zero-dimensional (0D) aluminophosphate monomer [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4 (designated AlPO-CJ38) with Al/P ratio of 1/6 has been solvothermally prepared by using racemic cobalt complex dl-Co(en) 3Cl 3 as the template. The Al atom is octahedrally linked to six P atoms via bridging oxygen atoms, forming a unique [Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2] 6- monomer. Notably, there exists intramolecular symmetrical O⋯H⋯O bonds, which results in pseudo-4-rings stabilized by the strong H-bonding interactions. The structure is also featured by the existence of four different types of monophosphates that have been confirmed by 31P NMR and 1H NMR spectra. The crystal data are as follows: AlPO-CJ38, [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4, M = 1476.33, monoclinic, C2/ c (No. 15), a = 36.028(7) Å, b = 8.9877(18) Å, c = 16.006(3) Å, β = 100.68(3)°, U = 5093.2(18) Å 3,Z = 4, R1 = 0.0509 ( I > 2 σ( I)) and wR2 = 0.1074 (all data). CCDC number 689491.

  18. Synthesis of 1-aryl-3-(3,4-dihydro-2H-chromen-5-yl)ureas as TNF-α inhibitors

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new series of compounds, 1-aryl-3-(3,4-dihydro-2H-chromen-5-yl) ureas, have been synthesized and their structures were confirmed by FAB-MS and 1H NMR. The preliminary pharmacological screening showed that these compounds inhibited TNF-αproduction in lipopolysaccharide (LPS)-stimulated THP-1 cells.

  19. Antifungal properties of wheat histones (H1-H4) and purified wheat histone H1.

    Science.gov (United States)

    De Lucca, Anthony J; Heden, Lars-Olof; Ingber, Bruce; Bhatnagar, Deepak

    2011-07-13

    Wheat ( Triticum spp.) histones H1, H2, H3, and H4 were extracted, and H1 was further purified. The effect of these histones on specific fungi that may or may not be pathogenic to wheat was determined. These fungi included Aspergillus flavus , Aspergillus fumigatus , Aspergillus niger , Fusarium oxysporum , Fusarium verticillioides , Fusarium solani , Fusarium graminearum , Penicillium digitatum , Penicillium italicum , and Greeneria uvicola . Non-germinated and germinating conidia of these fungi were bioassayed separately. The non-germinated and germinating conidia of all Fusarium species were highly susceptible to the mixture (H1-H4) as well as pure H1, with viability losses of 99-100% found to be significant (p histone mixture and pure H1. F. graminearum was the most sensitive to histone activity. The histones were inactive against all of the non-germinated Penicillium spp. conidia. However, they significantly reduced the viability of the germinating conidia of the Penicillium spp. conidia, with 95% loss at 2.5 μM. Non-germinated and germinating conidia viability of the Aspergillus spp. and G. uvicola were unaffected when exposed to histones up to 10 μM. Results indicate that Fusarium spp. pathogenic to wheat are susceptible to wheat histones, indicating that these proteins may be a resistance mechanism in wheat against fungal infection.

  20. Infrared Assisted Production of 3,4-Dihydro-2(1H-pyridones in Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    René Miranda

    2011-04-01

    Full Text Available A green approach for the synthesis of a set of ten 4-aryl substituted-5-alcoxy carbonyl-6-methyl-3,4-dihydro-2(1H-pyridones using Meldrum’s acid has been devised, the absence of solvent and the activation with infrared irradiation in addition to a multicomponent protocol are the main reaction conditions. The transformations proceeded with moderated yields (50–75% with a reasonable reaction rate (3 h. It is worth noting that two novel molecules of the new class of the bis-3,4-dihydropyridones were also obtained. In addition, a comparison without the use of infrared irradiation was performed.

  1. Triaquabis(1H-imidazolebis[μ2-2-(oxaloaminobenzoato(3−]dicopper(IIcalcium(II heptahydrate

    Directory of Open Access Journals (Sweden)

    Peng Zhang

    2008-02-01

    Full Text Available In the title heterotrinuclear coordination compound, [CaCu2(C9H4NO52(C3H4N22(H2O3]·7H2O, the Ca2+ cation is in a pentagonal–bipyramidal geometry and bridges two (1H-imidazole[2-(oxaloaminobenzoato(3−]copper(II units in its equatorial plane. Each CuII atom has a normal square-planar geometry. The molecule has approximate local (non-crystallographic mirror symmetry and 23 classical hydrogen bonds are found in the crystal structure.

  2. Co(III)-Carbene Radical Approach to Substituted 1H-Indenes.

    Science.gov (United States)

    Das, Braja Gopal; Chirila, Andrei; Tromp, Moniek; Reek, Joost N H; Bruin, Bas de

    2016-07-20

    A new strategy for the catalytic synthesis of substituted 1H-indenes via metalloradical activation of o-cinnamyl N-tosyl hydrazones is presented, taking advantage of the intrinsic reactivity of a Co(III) carbene radical intermediate. The reaction uses readily available starting materials and is operationally simple, thus representing a practical method for the construction of functionalized 1H-indene derivatives. The cheap and easy to prepare low spin cobalt(II) complex [Co(II)(MeTAA)] (MeTAA = tetramethyltetraaza[14]annulene) proved to be the most active catalyst among those investigated, which demonstrates catalytic carbene radical reactivity for a nonporphyrin cobalt(II) complex, and for the first time catalytic activity of [Co(II)(MeTAA)] in general. The methodology has been successfully applied to a broad range of substrates, producing 1H-indenes in good to excellent yields. The metallo-radical catalyzed indene synthesis in this paper represents a unique example of a net (formal) intramolecular carbene insertion reaction into a vinylic C(sp(2))-H bond, made possible by a controlled radical ring-closure process of the carbene radical intermediate involved. The mechanism was investigated computationally, and the results were confirmed by a series of supporting experimental reactions. Density functional theory calculations reveal a stepwise process involving activation of the diazo compound leading to formation of a Co(III)-carbene radical, followed by radical ring-closure to produce an indanyl/benzyl radical intermediate. Subsequent indene product elimination involving a 1,2-hydrogen transfer step regenerates the catalyst. Trapping experiments using 2,2,6,6-tetra-methylpiperidine-1-oxyl (TEMPO) radical or dibenzoylperoxide (DBPO) confirm the involvement of cobalt(III) carbene radical intermediates. Electron paramagnetic resonance spectroscopic spin-trapping experiments using phenyl N-tert-butylnitrone (PBN) reveal the radical nature of the reaction. PMID

  3. Size determination of binding polymers for (/sup 3/H)imipramine and (/sup 3/H)paroxetine in human platelet membranes

    Energy Technology Data Exchange (ETDEWEB)

    Mellerup, E.T.; Plenge, P. (Rigshospitalet, Copenhagen (Denmark)); Nielsen, M. (Sct. Hans Mental Hospital, Roskilde (Denmark))

    1984-11-13

    Imipramine and paroxetine both inhibit the transport of serotonin in serotonergic neurons and in platelets; furthermore specific high affinity binding sites for (/sup 3/H)imipramine and (/sup 3/H)paroxetine are located in these two cell types, probably on the serotonin transport mechanism. However, previous studies indicated that the binding site for (/sup 3/H)imipramine was different from the binding site for (/sup 3/H)paroxetine. The authors report that the polymers on which the two binding sites are located have different molecular weights.

  4. Parkinson's disease: decreased density of /sup 3/H-imipramine and /sup 3/H-paroxetine binding sites in putamen

    Energy Technology Data Exchange (ETDEWEB)

    Raisman, R.; Cash, R.; Agid, Y.

    1986-04-01

    The density of high-affinity /sup 3/H-imipramine and /sup 3/H-paroxetine binding sites (two serotonin-uptake blockers) was decreased in the putamen of parkinsonian patients. The correlation between serotonin levels and the number of /sup 3/H-imipramine and /sup 3/H-paroxetine binding sites suggests that they are located on serotoninergic nerve terminals and could be used to study serotoninergic innervation in the human brain. Since imipramine and paroxetine are powerful antidepressants, these results furthermore suggest that decreased serotoninergic transmission may be implicated in the pathophysiology of depression in Parkinson's disease.

  5. Ethanol intake and sup 3 H-serotonin uptake II: A study in alcoholic patients using platelets sup 3 H-paroxetine binding

    Energy Technology Data Exchange (ETDEWEB)

    Daoust, M.; Boucly, P. (U.F.R. de Medecine et Pharmacie, Saint Etienne du Rouvrary (France)); Ernouf, D. (Institut du Medicament, Tours (France)); Breton, P. (Centre National de Transfusion Sanguine de Rouen (France)); Lhuintre, J.P.

    1991-01-01

    The kinetic parameters of {sup 3}H-paroxetine binding and {sup 3}H-serotonin uptake were studied in platelets of alcoholic patients. There was no difference between alcoholic and non alcoholic subjects in {sup 3}H-paroxetine binding. When binding and {sup 3}H-serotonin uptake were studied, in the same plasma of the same subjects, the Vmax of serotonin uptake was increased in alcoholics. The data confirm the involvement of serotonin uptake system in alcohol dependance and suggest that serotonin uptake and paroxetine binding sites may be regulated independently in this pathology.

  6. Analysis list: Zc3h11a [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Zc3h11a Blood,Pluripotent stem cell + mm9 http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Zc3...h11a.1.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Zc3h11a.5.tsv http://dbarch...ive.biosciencedbc.jp/kyushu-u/mm9/target/Zc3h11a.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/colo/Zc3...h11a.Blood.tsv,http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/colo/Zc3h11a.Plu

  7. High pressure oxidation of C2H4/NO mixtures

    DEFF Research Database (Denmark)

    Giménez-López, J.; Alzueta, M.U.; Rasmussen, C.T.;

    2011-01-01

    An experimental and kinetic modeling study of the interaction between C2H4 and NO has been performed under flow reactor conditions in the intermediate temperature range (600–900K), high pressure (60bar), and for stoichiometries ranging from reducing to oxidizing conditions. The main reaction...... pathways of the C2H4/O2/NOx conversion, the capacity of C2H4 to remove NO, and the influence of the presence of NOx on the C2H4 oxidation are analyzed. Compared to the C2H4/O2 system, the presence of NOx shifts the onset of reaction 75–150K to lower temperatures. The mechanism of sensitization involves...... the reaction HOCH2CH2OO+NO→CH2OH+CH2O+NO2, which pushes a complex system of partial equilibria towards products. This is a confirmation of the findings of Doughty et al. [3] for a similar system at atmospheric pressure. Under reducing conditions and temperatures above 700K, a significant fraction of the NOx...

  8. Bis[6-(3,5-dimethyl-1H-pyrazol-1-ylpicolinato]nickel(II–aqua[6-(3,5-dimethyl-1H-pyrazol-1-ylpicolinic acid]dithiocyanatonickel(II (1/1

    Directory of Open Access Journals (Sweden)

    Kai Zhao

    2008-01-01

    Full Text Available In the title cocrystal, [Ni(C11H10N3O22]·[Ni(NCS2(C11H11N3O2(H2O], both NiII ions are in disorted octahedral coordination environments. One NiII ion is coordinated by four N atoms and two O atoms from two tridentate 6-(3,5-dimethyl-1H-pyrazol-1-ylpicolinate (DPP ligands, while the other NiII ion is coordinated by a tridentate 6-((3,5-dimethyl-1H-pyrazol-1-ylpicolinic acid (DPPH ligand and by two N atoms and one O atom from two thiocyanate and one water ligand, respectively. In the crystal structure, molecules are linked by intermolecular O—H...O and O—H...S hydrogen bonds, forming extended chains along [010].

  9. 5-Pentyl-4-phenylsulfonyl-1H-pyrazol-3-ol

    Directory of Open Access Journals (Sweden)

    Tara Shahani

    2010-06-01

    Full Text Available In the title compound, C14H18N2O3S, the 1H-pyrazole ring is approximately planar, with a maximum deviation of 0.005 (1 Å. The dihedral angle formed between the 1H-pyrazole and phenyl rings is 79.09 (5°. Pairs of intermolecular N—H...O and O...H...N hydrogen bonds form dimers between neighboring molecules, generating R22(10 ring motifs. These dimers are further linked byintermolecular N—H...O and O—H...N hydrogen bonds into a two-dimensional array parallel to the ac plane. The crystal structure is also stabilized by C—H...π interactions.

  10. Quantitative produced water analysis using mobile 1H NMR

    Science.gov (United States)

    Wagner, Lisabeth; Kalli, Chris; Fridjonsson, Einar O.; May, Eric F.; Stanwix, Paul L.; Graham, Brendan F.; Carroll, Matthew R. J.; Johns, Michael L.

    2016-10-01

    Measurement of oil contamination of produced water is required in the oil and gas industry to the (ppm) level prior to discharge in order to meet typical environmental legislative requirements. Here we present the use of compact, mobile 1H nuclear magnetic resonance (NMR) spectroscopy, in combination with solid phase extraction (SPE), to meet this metrology need. The NMR hardware employed featured a sufficiently homogeneous magnetic field, such that chemical shift differences could be used to unambiguously differentiate, and hence quantitatively detect, the required oil and solvent NMR signals. A solvent system consisting of 1% v/v chloroform in tetrachloroethylene was deployed, this provided a comparable 1H NMR signal intensity for the oil and the solvent (chloroform) and hence an internal reference 1H signal from the chloroform resulting in the measurement being effectively self-calibrating. The measurement process was applied to water contaminated with hexane or crude oil over the range 1-30 ppm. The results were validated against known solubility limits as well as infrared analysis and gas chromatography.

  11. Temperature Dependent Product Yields for the Spin Forbidden Singlet Channel of the C(3P) + C2H2 Reaction

    CERN Document Server

    Hickson, Kevin M; Wakelam, Valentine

    2016-01-01

    The atomic hydrogen formation channels of the C + C2H2 reaction have been investigated using a continuous supersonic flow reactor over the 52 K 296 K temperature range. H-atoms were detected directly at 121.567 nm by vacuum ultraviolet laser induced fluorescence. Absolute H-atom yields were determined by comparison with the H-atom signal generated by the C + C2H4 reaction. The product yields agree with earlier crossed beam experiments employing universal detection methods. Incorporating these branching ratios in a gas-grain model of dense interstellar clouds increases the cC3H abundance. This reaction is a minor source of C3 containing molecules in the present simulations.

  12. High-frequency observations of δ2H and δ18O in storm rainfall

    Science.gov (United States)

    Stoecker, F.; Klaus, J.; Pangle, L. A.; Garland, C.; McDonnell, J. J.

    2012-12-01

    Stable isotopes ratios of hydrogen (2H/1H) and oxygen (18O/16O) are indispensable tools for investigation of the hydrologic cycle. Recent technological advances with laser spectroscopy now enable high-frequency measurement of key water cycle components. While the controls on rainfall isotope composition have been known generally for some time, our understanding of the effect of inter- and intra-storm processes on fine scale rainfall isotope composition is poorly understood. Here we present a new approach to observe inter- and intra-storm isotope variability in precipitation in high-frequency. We investigate the temporal development of δ2H and δ18O within and between discrete rainstorm. δ2H and δ18O in precipitation was measured from November 2011 to February 2012 in Corvallis, OR using a flow-cell combined with a Liquid Water Isotope Analyzer (LWIA-24d, Los Gatos Research, Inc.). The average sample frequency was 15 samples per hour, resulting in more than 3100 samples during the observation period. 27 separate rainstorms were identified in the dataset based on minimum inter-event time, minimum precipitation depth, and minimum number of isotope measurements. Event meteoric water lines were developed for each event. We observed short-term isotopic patterns (e.g., V-shaped trends), high-rate changes (5.3‰/h) and large absolute changes in isotopic composition (20‰) on intra-event scale. V-shaped trends appeared to be related to individual storm fronts detected by air temperature, cloud heights (NEXRAD radar echo tops) and cloud trajectories (Hybrid Single Particle Lagrangian Integrated Trajectory Model (HYSPLIT)). Despite this, we could detect no linear correlation between event-based isotopic variables (slope, δ2H-intercept, δ2H, δ18O) and the event meteoric water line. Furthermore, the composite event meteoric water line (i.e. the local meteoric water line) showed a wider spread for heavy isotopes than for light isotopes, caused presumably by different

  13. Effects of surgical and chemical lesions on striatal (/sup 3/H)threo-(+-)-methylphenidate binding: correlation with (/sup 3/H)dopamine uptake

    Energy Technology Data Exchange (ETDEWEB)

    Janowsky, A.; Berger, P.; Long, R.; Paul, S.M. (National Inst. of Mental Health, Bethesda, MD (USA)); Schweri, M.M.; Skolnick, P. (National Institutes of Health, Bethesda, MD (USA))

    1985-01-22

    The specific binding of (/sup 3/H)threo-(+-)-methylphenidate to membranes prepared from rat striatum was significantly reduced following either surgical lesions of the medial forebrain bundle or intracerebroventricular administration of 6-hydroxydopamine. The decrease in the density of (/sup 3/H)threo-(+-)-methylphenidate binding sites in striatum following chemical or surgical denervation was highly correlated with the decrease in (/sup 3/H)dopamine uptake. In contrast, intracerebroventricular administration of 5,7-dihydroxytryptamine, AF64A, or chronic parenteral administration of reserpine did not alter either the number or apparent affinity of (/sup 3/H)threo-(+-)-methylphenidate binding sites. These data suggest that the specific binding sites for (/sup 3/H)threo-(+-)-methylphenidate in striatum are localized to dopaminergic nerve terminals, and may be associated with the dopamine transport complex.

  14. Proton-detected 3D 1H/13C/1H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

    Science.gov (United States)

    Zhang, Rongchun; Nishiyama, Yusuke; Ramamoorthy, Ayyalusamy

    2015-10-01

    A proton-detected 3D 1H/13C/1H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of 13C-1H connectivities, and proximities of 13C-1H and 1H-1H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including 1H-1H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) 1H/1H and 2D 13C/1H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of 1H-1H proximity and 13C-1H connectivity. In addition, the 2D (F1/F2) 1H/13C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of 1H-1H dipolar couplings, enables the measurement of proximities between 13C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of 1H-1H-13C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ṡ H2O ṡ HCl demonstrate the efficiency of the 3D experiment.

  15. Proton-detected 3D 14N/14N/1H isotropic shift correlation experiment mediated through 1H-1H RFDR mixing on a natural abundant sample under ultrafast MAS

    Science.gov (United States)

    Pandey, Manoj Kumar; Nishiyama, Yusuke

    2015-09-01

    In this contribution, we have demonstrated a proton detection-based approach on a natural abundant powdered L-Histidine HCl-H2O sample at ultrafast magic angle spinning (MAS) to accomplish 14N/14N correlation from a 3D 14N/14N/1H isotropic shift correlation experiment mediated through 1H finite-pulse radio frequency-driven recoupling (fp-RFDR). Herein the heteronuclear magnetization transfer between 14N and 1H has been achieved by HMQC experiment, whereas 14N/14N correlation is attained through enhanced 1H-1H spin diffusion process due to 1H-1H dipolar recoupling during the RFDR mixing. While the use of ultrafast MAS (90 kHz) provides sensitivity enhancement through increased 1H transverse relaxation time (T2), the use of micro-coil probe which can withstand strong 14N radio frequency (RF) fields further improves the sensitivity per unit sample volume.

  16. Localization of epileptogenic focus by 1H MR spectroscopy

    International Nuclear Information System (INIS)

    In fourteen patients suffering from pharmacoresistant epilepsy with partial complex seizures, 1H MR spectra from the left and right hippocampus were assessed. From the ratios NAA/Cr, NAA/Cho and NAA/(Cr+Cho) the asymmetry coefficient was calculated which characterizes the reduced NAA (N-acetyl aspartate) concentration in the assumed epileptogenic focus. An agreement between MRS and the EEG findings was found in 10 out of 14 cases, i.e. in 71%. MR spectroscopy is therefore another non-invasive diagnostic method suitable for the assessment of lateralization of an epileptic focus before epileptosurgery. (author) 2 tabs., 3 figs., 30 refs

  17. 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.

  18. Dynamic 1H NMR Studies of Schiff Base Derivatives

    Science.gov (United States)

    Köylü, M. Z.; Ekinci, A.; Böyükata, M.; Temel, H.

    2016-01-01

    The spin-lattice relaxation time T 1 and the spin-spin relaxation time T 2 of two Schiff base derivatives, N,N'-ethylenebis(salicylidene)-1,2-diaminoethane (H2L1) and N,N'-ethylenebis (salicylidene)-1,3-diaminopropane (H2L2), in DMSO-d6 solvent were studied as a function of temperature in the range of 20-50°C using a Bruker Avance 400.132 MHz 1H NMR spectrometer. Based on the activation energy ( E a) and correlation time (τc), we believe that the Schiff base derivatives perform a molecular tumbling motion.

  19. 1H MR spectroscopy characteristics of cerebral alveolar echinococcosis

    International Nuclear Information System (INIS)

    Objective: To investigate the characteristics of proton magnetic resonance spectroscopy (1H MRS) in patients with cerebral alveolar echinococcosis (CAE). Methods: Thirteen patients with 33 lesions proven to be CAE histologically and clinically were examined by conventional MRI and 2D multi-voxel spectroscopy with a 3.0 T double gradient superconductivity magnetic resonance scanner. Concentrations of the metabolites containing N-acetyl-aspartic-acid (NAA), Choline (Cho), Creatine (Cr), lipids and lactic acid (Lip + Lac), myo-Inositol (mI) were detected and the value of Cho/Cr, NAA/Cr, (Lip + Lac)/Cr, mI/Cr were calculated. The values of Cho/Cr, NAA/Cr, (Lip + Lac)/Cr, mI/Cr were compared between the lesions and the contralateral normal brain parenchyma. Statistical analysis was performed using the Wilcoxon signed-rank test. Results: CAE 1H MRS in the lesions was characterized by the decrease of Cho, NAA to varying degrees, and a visible lipid with or without lactate peak. Compared with the control group, the ratio of NAA/Cr was decreased markedly, whereas Cho/Cr, mI/Cr increased mildly and (Lip + Lac)/Cr increased markedly in the lesions. The medians and interquartile ranges of Cho/Cr, NAA/Cr, (Lip + Lac)/Cr and mI/Cr in the lesions were: 1.88 (1.24-2.23), 1.32 (1.07-1.58), 32.96 (24.59-47.30) and 0.91 (0.67-1.08), respectively. The medians and interquartile ranges of Cho/Cr, NAA/Cr, (Lip + Lac)/Cr and mI/Cr of control group were 0.84 (0.704-0.98), 2.00 (1.80-2.18), 0.90 (0.74-0.99) and 0.26 (0.18-0.31), respectively. There were statistically significant differences of the measures between the lesions and the control regions (Z=-5.932, -6.086, -6.946, -6.984, P<0.01). Conclusions: Multi-voxel 1H MRS can reflect pathological characteristics of CAE. 1H MRS provides metabolic information for diagnosis of CAE and may be a supplement to conventional magnetic resonance examination. (authors)

  20. Decaying Neutralino Dark Matter in Anomalous $U(1)_H$ Models

    CERN Document Server

    Sierra, D Aristizabal; Zapata, Oscar

    2009-01-01

    In supersymmetric models extended with an anomalous $U(1)_H$ different R-parity violating couplings can yield an unstable neutralino. We show that in this context astrophysical and cosmological constraints on neutralino decaying dark matter forbid bilinear R-parity breaking neutralino decays and lead to a class of purely trilinear R-parity violating scenarios in which the neutralino is stable on cosmological scales. We have found that among the resulting models some of them become suitable to explain the observed anomalies in cosmic-ray electron/positron fluxes.

  1. Alterations in [3H] thymidine incorporation into DNA and [3H] uridine incorporation into RNA induced by 5-azacytidine in vivo

    International Nuclear Information System (INIS)

    Administration in vivo 5-azacytidine (5-aza-CR) caused suppression of [3H] thymidine ([3H]TdR) incorporation into DNA of bone marrow and gastrointestinal mucosa of mice and a more prolonged suppression of L1210 ascites tumor. Single doses of 5-aza-CR caused a modest and short-lived suppression of incorporation of [3H] uridine ([3H]UR) into nuclear RNA of L1210 ascites tumor cells. No suppression of [3H]UR incorporation into RNA of bone marrow or gastrointestinal mucosa was observed. L1210 tumor cells resistant to the other active cytidine analogue, cytosine arabinoside, demonstrated less disruption of [3H]TdR incorporation after exposure to 5-aza-CR, suggesting some cross resistance in the effects of these two drugs on DNA synthesis. Survival studies carried out in mice bearing both the sensitive and resistant L1210 tumor cell lines confirmed cross resistance of the anti-tumor effects of the two cytidine analogues. Second doses of 5-aza-CR, with the timing of administration based upon the differing patterns of recovery of [3H]TdR incorporation between normal tissues and tumor cells, led to a prolongation of survival in mice bearing the sensitive L1210 ascites tumor. (author)

  2. An observational investigation of the identity of B11244 (l-C{sub 3}H{sup +}/C{sub 3}H{sup -})

    Energy Technology Data Exchange (ETDEWEB)

    McGuire, Brett A.; Carroll, P. Brandon [Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125 (United States); Gratier, Pierre; Guzmán, Viviana; Pety, Jerome [IRAM, 300 rue de la Piscine, F-38406 Saint Martin d' Hères (France); Roueff, Evelyne [LUTH, UMR 8102, CNRS and Observatoire de Paris, Place J. Janssen, F-92195 Meudon Cedex (France); Gerin, Maryvonne [LERMA, UMR 8112, CNRS and Observatoire de Paris, 61 avenue de l' Observatoire, F-75014 Paris (France); Blake, Geoffrey A. [Division of Chemistry and Chemical Engineering and Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States); Remijan, Anthony J. [National Radio Astronomy Observatory, Charlottesville, VA 22903 (United States)

    2014-03-01

    Pety et al. have reported the detection of eight transitions of a closed-shell, linear molecule (B11244) in observations toward the Horsehead photodissociation region (PDR), which they attribute to the l-C{sub 3}H{sup +} cation. Recent high-level ab initio calculations have called this assignment into question; the anionic C{sub 3}H{sup –} molecule has been suggested as a more likely candidate. Here, we examine observations of the Horsehead PDR, Sgr B2(N), TMC-1, and IRC+10216 in the context of both l-C{sub 3}H{sup +} and C{sub 3}H{sup –}. We find no observational evidence of K{sub a} = 1 lines, which should be present were the carrier indeed C{sub 3}H{sup –}. Additionally, we find a strong anticorrelation between the presence of known molecular anions and B11244 in these regions. Finally, we discuss the formation and destruction chemistry of C{sub 3}H{sup –} in the context of the physical conditions in the regions. Based on these results, we conclude there is little evidence to support the claim that the carrier is C{sub 3}H{sup –}.

  3. Search for the isomers of C2H3NO and C2H3NS in the Interstellar Medium

    Science.gov (United States)

    Etim, Emmanuel; Chakrabarti, Sandip Kumar; Das, Ankan; Gorai, Prasanta; Arunan, Elangannan

    2016-07-01

    With about 40% of all the known interstellar and circumstellar molecules having their isomeric analogues as known astromolecules, isomerism remains one of the leading themes in interstellar chemistry. In this regard, the recent detection of methyl isocyanate (with a number of isomeric analogues) in the Sgr B2(N) giant molecular cloud opens a new window for the possible astronomical detection of other C_2H_3NO isomers. The present work looks at the possibility of detecting other isomers of methyl isocyanate by considering different factors such as thermodynamic stability of the different isomers with respect to the Energy, Stability and Abundance (ESA) relationship, effect of interstellar hydrogen bonding with respect to the formation these isomers on the surface of the interstellar dust grains, possible formation routes for these isomers, spectroscopic parameters for potential astromolecules among these isomers, chemical modeling among other studies. The same studies are repeated for the C_2H_3NS isomers which are the isoelectroninc analogues of the C_2H_3NO isomers taking into account the unique chemistry of S and O-containing interstellar molecular species. Among the C_2H_3NS isomers, methyl isothiocyanate remains the most potential candidate for astronomical observation.

  4. The H{sup +}{sub 3} + H{sub 2} isotopic system. Origin of deuterium astrochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Hugo, Edouard Jean-Marie

    2008-07-01

    Dense cold molecular clouds reckoned to be stellar nurseries are the scene of an extreme molecular deuteration. Despite the cosmic D/H ratio of {proportional_to}10{sup -5}, molecular species in prestellar cores are observed to contain nearly as much deuterium as hydrogen. This astonishing deuterium enrichment promoted by low temperatures is the work of H{sup +}{sub 3}. It is the key species which unlocks the deuterium from its HD reservoir via reactions like H{sup +}{sub 3}+HD {r_reversible} H{sub 2}D{sup +}+H{sub 2} and drags it further to other species in successive reactions. For this reason, the H{sup +}{sub 3}+H{sub 2} isotopic system is outstandingly critical for the astrochemistry of cold environments. However, its understanding is yet incomplete and insufficient. This thesis thus focuses on the H{sup +}{sub 3}+H{sub 2} isotopic system from a theoretical, experimental and astronomical point of view giving a particular look into the role of nuclear spins. As a first step, the stringent nuclear spin selection rules in associative, dissociative and reactive collisions are investigated. This purely theoretical study zooms into the details of the nuclear spin wavefunctions and shows that their permutation symmetry representation is necessary and sufficient, contrary to their angular momentum representation. Additionally, a new deterministic interpretation of nuclear spins in chemical reactions is proposed. Based on these considerations, a complete set of state-to-state rate coefficients for all H{sup +}{sub 3} + H{sub 2} isotopic variants is calculated using a microcanonical model leaned on phase space theory. An experimental study is conducted in parallel with a 22-pole ion trap apparatus in order to inspect the influences of temperature and H{sub 2} ortho-to-para ratio. The good overall agreement between experimental and theoretical results supports the validity and utility of the calculated set of rate coefficients. Furthermore, the potentiality of the 22-pole

  5. Incorporation of [3H]Leucine and [3H]Valine into Protein of Freshwater Bacteria: Uptake Kinetics and Intracellular Isotope Dilution

    OpenAIRE

    Jørgensen, Niels O. G.

    1992-01-01

    Incorporation of [3H]leucine and [3H]valine into proteins of freshwater bacteria was studied in two eutrophic lakes. Incorporation of both amino acids had a saturation level of about 50 nM external concentration. Only a fraction of the two amino acids taken up was used in protein synthesis. At 100 nM, the bacteria respired 91 and 78% of leucine and valine taken up, respectively. Respiration of 3H and 14C isotopes of leucine gave similar results. Most of the nonrespired leucine was recovered i...

  6. The synthesis of 3H-putrescine and subsequent biosynthesis of 3H-jacobine, a pyrrolizidine alkaloid from Senecio jacobaea

    International Nuclear Information System (INIS)

    A new method was developed for the preparation of tritiated putrescine dihydrochloride ([2,3-3H]-1,4-diaminobutane dihydro-chloride) from succinonitrile (1,4-butanedinitrile) and 3H2O, with a radiochemical yield of 16%. Tritiated jacobine and other pyrrolizidine alkaloids were then biosynthesized in Senecio jacobaea using 3H-putrescine-2HCl as the precursor with a radiochemical yield of 0.9% into total pyrrolizidine alkaloids. Jacobine accounted for 36% of the total. This synthetic method provides a relatively inexpensive source for the preparation of these labelled compounds. (author)

  7. Hydrocalcite (CaCO3 * H2O) and Nesquehonite (MgCO3 * 3H2O) in Carbonate Scales.

    Science.gov (United States)

    Marschner, H

    1969-09-12

    Hydrocalcite (CaCO(3) * H(2)O) with exactly one molecule of hydrate water is the main component of carbonate scales deposited from cold water in contact with air. When the magnesium content of the water is high, the hydrocalcite occurs together with MgCO(3) * 3H(2)O (nesquehonite). From the conditions under which hydrocalcite is transformed into calcite and aragonite, it appears that in some cases aragonite in nature may be formed by way of an intermediary of CaCO(3) * H(2)O. PMID:17779803

  8. 23Na and 1H NMR Microimaging of Intact Plants

    Science.gov (United States)

    Olt, Silvia; Krötz, Eva; Komor, Ewald; Rokitta, Markus; Haase, Axel

    2000-06-01

    23Na NMR microimaging is described to map, for the first time, the sodium distribution in living plants. As an example, the response of 6-day-old seedlings of Ricinus communis to exposure to sodium chloride concentrations from 5 to 300 mM was observed in vivo using 23Na as well as 1H NMR microimaging. Experiments were performed at 11.75 T with a double resonant 23Na-1H probehead. The probehead was homebuilt and equipped with a climate chamber. T1 and T2 of 23Na were measured in the cross section of the hypocotyl. Within 85 min 23Na images with an in-plane resolution of 156 × 156 μm were acquired. With this spatial information, the different types of tissue in the hypocotyl can be discerned. The measurement time appears to be short compared to the time scale of sodium uptake and accumulation in the plant so that the kinetics of salt stress can be followed. In conclusion, 23Na NMR microimaging promises great potential for physiological studies of the consequences of salt stress on the macroscopic level and thus may become a unique tool for characterizing plants with respect to salt tolerance and salt sensitivity.

  9. Determination of Isotopic Abundance of 2H, 13C, 18O, and 37Cl in Biofield Energy Treated Dichlorophenol Isomers

    OpenAIRE

    Mahendra Kumar Trivedi

    2015-01-01

    2,4-Dichlorophenol (2,4-DCP) and 2,6-dichlorophenol (2,6-DCP) are two isomers of dichlorophenols, have been used as preservative agents for wood, paints, vegetable fibers and as intermediates in the production of pharmaceuticals and dyes. The aim of the study was to evaluate the impact of biofield energy treatment on the isotopic abundance ratios of 2H/1H or 13C/12C, and 18O/16O or 37Cl/35Cl, in dichlorophenol isomers using gas chromatography-mass spectrometry (GC-MS). The 2,4- DCP and 2,6-DC...

  10. Synthesis and preliminary evaluation of 5,7-dimethyl-2-aryl-3H-pyrrolizin-3-ones as angiogenesis inhibitors.

    Science.gov (United States)

    Kirk, Nicholas S; Bezos, Anna; Willis, Anthony C; Sudta, Pichit; Suksamrarn, Sunit; Parish, Christopher R; Ranson, Marie; Kelso, Michael J

    2016-04-01

    Sunitinib (Sutent®) is a receptor tyrosine kinase (RTK) and angiogenesis inhibitor approved for the treatment of renal cell carcinomas, gastrointestinal stromal tumours and pancreatic neuroendocrine tumours. A key structural motif retained throughout medicinal chemistry efforts during sunitinib's development was the indoline-2-one group. In the search for new anti-angiogenic scaffolds, we previously reported that non-indoline-2-one-based derivatives of semaxanib (SU5416, a structurally simpler sunitinib predecessor that underwent Phase III trials) are active as angiogenesis inhibitors, indicating that the group is not essential for activity. This Letter describes the synthesis and structure-activity relationships of another class of non-indoline-2-one angiogenesis inhibitors related to sunitinib/semaxanib; the 5,7-dimethyl-2-aryl-3H-pyrrolizin-3-ones. A focussed library of 19 analogues was prepared using a simple novel process, wherein commercially available substituted arylacetic acids activated with an amide coupling reagent (HBTU) were reacted with the potassium salt of 3,5-dimethyl-1H-pyrrole-2-carbaldehyde in one-pot. Screening of the library using a cell-based endothelial tube formation assay identified 6 compounds with anti-angiogenesis activity. Two of the compounds were advanced to the more physiologically relevant rat aortic ring assay, where they showed similar inhibitory effects to semaxanib at 10μg/mL, confirming that 5,7-dimethyl-2-aryl-3H-pyrrolizin-3-ones represent a new class of angiogenesis inhibitors. PMID:26912111

  11. Charge transfer in energetic Li^2+ - H collisions

    Science.gov (United States)

    Mancev, I.

    2008-07-01

    The total cross sections for charge transfer in Li^2+ - H collisions have been calculated, using the four-body first Born approximation with correct boundary conditions (CB1-4B) and four-body continuum distorted wave method (CDW-4B) in the energy range 10 - 5000 keV/amu. Present results call for additional experimental data at higher impact energies than presently available.

  12. The distribution of ND2H in LDN 1689N

    Science.gov (United States)

    Gerin, M.; Lis, D. C.; Philipp, S.; Güsten, R.; Roueff, E.; Reveret, V.

    2006-08-01

    Aims.Finding tracers of the innermost regions of prestellar cores is important for understanding their chemical and dynamical evolution before the onset of gravitational collapse. While classical molecular tracers, such as CO and CS, have been shown to be strongly depleted in cold, dense gas by condensation on grain mantles, it has been a subject of discussion to what extent nitrogen-bearing species, such as ammonia, are affected by this process. As deuterium fractionation is efficient in cold, dense gas, deuterated species are excellent tracers of prestellar cores. A comparison of the spatial distribution of neutral and ionized deuterated species with the dust continuum emission can thus provide important insights into the physical and chemical structure of such regions. Methods: .We study the spatial distribution of the ground-state 335.5 GHz line of ND2H in LDN 1689N, using APEX, and compare it with the distribution of the DCO+(3-2) line, as well as the 350 μm dust continuum emission observed with the SHARC II bolometer camera at CSO. Results: .While the distribution of the ND2H emission in LDN 1689N is generally similar to that of the 350 μm dust continuum emission, the peak of the ND2H emission is offset by ~10'' to the East from the dust continuum and DCO+ emission peak. ND2H and ND3 share the same spatial distribution. The observed offset between the ND2H and DCO+ emission is consistent with the hypothesis that the deuterium peak in LDN 1689N is an interaction region between the outflow shock from IRAS 16293-2422 and the dense ambient gas. We detect the J = 4 → 3 line of H13CO+ at 346.998 GHz in the image side band serendipitously. This line shows the same spatial distribution as DCO+(3-2), and peaks close to the 350 μm emission maximum which provides further support for the shock interaction scenario.

  13. Crystal structure of 1H,1'H-[2,2'-biimid-azol]-3-ium hydrogen tartrate hemi-hydrate.

    Science.gov (United States)

    Gao, Xiao-Li; Bian, Li-Fang; Guo, Shao-Wei

    2014-11-01

    In the crystal of the title hydrated salt, C6H7N4 (+)·C4H5O6 (-)·0.5H2O, the bi-imidazole monocation, 1H,1'H-[2,2'-biimidazol]-3-ium, is hydrogen bonded, via N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds, to the hydrogen tartrate anion and the water mol-ecule, which is located on a twofold rotation axis, forming sheets parallel to (001). The sheets are linked via C-H⋯O hydrogen bonds, forming a three-dimensional structure. There are also C=O⋯π inter-actions present [O⋯π distances are 3.00 (9) and 3.21 (7) Å], involving the carbonyl O atoms and the imidazolium ring, which may help to consolidate the structure. In the cation, the dihedral angle between the rings is 11.6 (2)°.

  14. Baclofen (β-p-chlorophenyl-γ-aminobutyric acid) enhances [3H]γ-aminobutyric acid (3H-GABA) release from rat globus pallidus in vitro

    International Nuclear Information System (INIS)

    The rat globus pallidus has been investigated as a possible model in which to study pre-synaptic GABA mechanisms in vitro. (+ -)-Baclofen (300μM-1 mM) significantly enhanced the release of radioactivity from superfused slices of rat globus pallidus prelabelled with 3H-GABA in vitro. This releasing action was specific to the (+)-isomer of baclofen. Neither the (-)-isomer nor another neuronal depressant DL-α-upsilon-diaminopimelic acid had any significant effect. The releasing effect of baclofen appeared unrelated to the phenethylamine moiety of its structure as neither β-phenethylamine nor dopamine evoked release of 3H-GABA from pallidal slices. Baclofen increased the efflux of radioactivity from pallidal slices prelabelled with either [3H]β-alanine or 3H diaminobutric acid in vitro. The use of specific glial and neuronal GABA uptake blocking compounds (β-alanine and (+ -)-cis-1,3-aminocyclohexanecarboxylic acid) did not permit resolution of the elements from which baclofen was evoking [3H]GABA release. Baclofen also inhibited uptake of [3H]GABA into pallidal slices with an IC50 value of 6 x 10-4m. The GABA-like properties of baclofen may be related to the (+)-isomer while non-specific neuronal depressant actions are an effect of the (-)-isomer. The potential of the (+)-isomer as an antipyschotic agent while (-)-baclofen remains the effective antispastic drug free from unwanted side-effects is discussed. (author)

  15. 4-Methyl-5-phenyl-1H-pyrazol-3-ol

    Directory of Open Access Journals (Sweden)

    Tara Shahani

    2010-07-01

    Full Text Available The title compound, C10H10N2O, crystallizes with two independent molecules in the asymmetric unit, having closely comparable geometries. The dihedral angles between the 1H-pyrazole and benzene rings in the two molecules are 39.57 (14 and 41.95 (13°. The two molecules are each connected to neighbouring molecules by pairs of intermolecular O—H...N hydrogen bonds, forming dimers with R22(8 ring motifs. These dimers are further linked into R44(10 ring motifs by intermolecular N—H...O hydrogen bonds, forming chains along [101]. The crystal structure is further stabilized by a C—H...π interaction.

  16. Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5

    Science.gov (United States)

    Majzlan, J.; Navrotsky, A.; McCleskey, R.B.; Alpers, C.N.

    2006-01-01

    Enthalpies of formation of ferricopiapite [nominally Fe4.67(SO4)6(OH)2 (H2O)20]. coquimbite [Fe2(SO4)3(H2O)9], rhomboclase [(H3O)Fe(SO4)2 (H2O)3], and Fe2(SO4)3(H2O)5 were measured by acid (5 N HCl) solution calorimetry. The samples were characterized by wet chemical analyses and synchrotron powder X-ray diffraction (XRD). The refinement of XRD patterns gave lattice parameters, atomic positions, thermal factors, and occupancies of the sites. The calculated formulae differ slightly from the nominal compositions: Fe4.78(SO4)6 (OH)2.34(H2O)20.71 (ferricopiapite), (Fe1.47Al0.53)(SO4)3 (H2O)9.65 (coquimbite), (H3O)1.34Fe(SO4)2.17 (H2O)3.06 (rhomboclase), and Fe2(SO4)3 (H2O)5.03. All thermodynamic data are given per mole of these formulae. The measured standard enthalpies (in kJ/mol) of formation from the elements (crystalline Fe, Al, S, and ideal gases O2 and H2) at T = 298.15 K are -4115.8??4.1 [Fe2(SO4)3 (H2O)5.03], -12045.1??9.2 (ferricopiapite), -5738.4??3.3 (coquimbite), and -3201.1??2.6 (rhomboclase). Standard entropy (S??) was estimated as a sum of entropies of oxide, hydroxide, and sulfate components. The estimated S?? (in J/mol.K) values for the iron sulfates are 488.2 [Fe2(SO4)3 (H2O)5.03], 1449.2 (ferricopiapite), 638.3 (coquimbite), and 380.1 (rhomboclase). The calculated Gibbs free energies of formation (in kJ/mol) are -3499.7??4.2 [Fe2(SO4)3 (H2O)5.03], -10089.8??9.3 (ferricopiapite), -4845.6??3.3 (coquimbite), and -2688.0??2.7 (rhomboclase). These results combined with other available thermodynamic data allow construction of mineral stability diagrams in the FeIII2(SO4)3-FeII SO4-H2O system. One such diagram is provided, indicating that the order of stability of ferric sulfate minerals with decreasing pH in the range of 1.5 to -0.5 is: hydronium jarosite, ferricopiapite, and rhomboclase. ?? 2006 E. Schweizerbart'sche Verlagsbuchhandlung.

  17. NMR spectroscopic properties (1H at 500 MHz) of deuterated* ribonucleotide-dimers ApU*, GpC*, partially deuterated 2'-deoxyribonucleotide-dimers d(TpA*), d(ApT*), d(GpC*) and their comparison with natural counterparts (1H-NMR window).

    Science.gov (United States)

    Földesi, A; Nilson, F P; Glemarec, C; Gioeli, C; Chattopadhyaya, J

    1993-02-01

    Pure 1'#,2',3',4'#,5',5''-2H6-ribonucleoside derivatives 10-14, 1'#,2',2'',3',4'#,5',5''-2H7-2'-deoxynucleoside blocks 15-18 and their natural-abundance counterparts were used to assemble partially deuterated ribonucleotide-dimers (* indicates deuteration at 1'#,2',3',4'#,5',5''(2H6)): ApU* 21, GpC* 22 and partially deuterated 2'-deoxyribonucleotide-dimers d(TpA*) 23, d(ApT*) 25, d(GpC*) 26 (* indicates deuteration at 1'#,2',2'',3',4'#,5',5''(2H7)) according to the procedure described by Földesi et al. (Tetrahedron, in press). These five partially deuterated oligonucleotides were subsequently compared with their corresponding natural-abundance counterparts by 500 MHz 1H-NMR spectroscopy to evaluate the actual NMR simplifications achieved in the non-deuterated part (1H-NMR window) as a result of specific deuterium incorporation. Detailed one-dimensional 1H-NMR (500 MHz), two-dimensional correlation spectra (DQF-COSY and TOCSY) and deuterium isotope effect on the chemical shifts of oligonucleotides have been presented.

  18. A new one-dimensional Cd(II) coordination polymer with a two-dimensional layered structure incorporating 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole and benzene-1,2-dicarboxylate ligands.

    Science.gov (United States)

    Huang, Qiu Ying; Lin, Xiao Yi; Meng, Xiang Ru

    2016-06-01

    The N-heterocyclic ligand 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole (imb) has a rich variety of coordination modes and can lead to polymers with intriguing structures and interesting properties. In the coordination polymer catena-poly[[cadmium(II)-bis[μ-benzene-1,2-dicarboxylato-κ(4)O(1),O(1'):O(2),O(2')]-cadmium(II)-bis{μ-2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole}-κ(2)N(2):N(3);κ(2)N(3):N(2)] dimethylformamide disolvate], {[Cd(C8H4O4)(C11H10N4)]·C3H7NO}n, (I), each Cd(II) ion exhibits an irregular octahedral CdO4N2 coordination geometry and is coordinated by four O atoms from two symmetry-related benzene-1,2-dicarboxylate (1,2-bdic(2-)) ligands and two N atoms from two symmetry-related imb ligands. Two Cd(II) ions are connected by two benzene-1,2-dicarboxylate ligands to generate a binuclear [Cd2(1,2-bdic)2] unit. The binuclear units are further connected into a one-dimensional chain by pairs of bridging imb ligands. These one-dimensional chains are further connected through N-H...O hydrogen bonds and π-π interactions, leading to a two-dimensional layered structure. The dimethylformamide solvent molecules are organized in dimeric pairs via weak interactions. In addition, the title polymer exhibits good fluorescence properties in the solid state at room temperature. PMID:27256695

  19. Synthesis of fatty trichloromethyl-{beta}-diketones and new 1H-Pyrazoles as unusual FAMEs and FAEEs

    Energy Technology Data Exchange (ETDEWEB)

    Flores, Alex F.C.; Souto, Alynne A.; Malavolta, Juliana L.; Flores, Darlene C., E-mail: alex.fcf@ufsm.br [Universidade Federal de Santa Maria (UFSM), RS (Brazil). Departamento de Quimica; Blanco, Rogerio F. [Uniao de Ensino do Sudoeste do Parana (UNISEP), Dois Vizinhos, PR (Brazil). Faculdade de Farmacia

    2013-12-01

    The efficient synthesis of new fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones [Cl{sub 3}CC(O)C(R{sup 2})=C(R{sup 1})OMe, where R{sup 1} = n-hexyl, heptyl, nonyl, undecyl, tridecyl and R{sup 2} = H] and 1,1,1-trichloro-2,4-alkanediones [Cl{sub 3}CC(O)CHR{sup 2}C(O)R{sup 1}, where R{sup 1} = n-pentyl and R{sup 2} = Me, R{sup 1} = Et and R{sup 2} = n-butyl, R{sup 1} = n-butyl and R{sup 2} = n-propyl] in good yields (85-95%) from acetal acylation with trichloroacetyl chloride is reported. The fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones and 1,1,1-trichloro-2,4-alkanediones were reacted with hydrazine hydrochloride, leading to respective {sup 1}H-pyrazole-5-carboxylates, unusual class of fatty acid methyl (FAMEs) and ethyl (FAEEs) esters. Their structures were confirmed by elemental analysis and {sup 1}H and {sup 13}C nuclear magnetic resonance (NMR). The fatty 1,1,1-trichloro-4-methoxy-3-alken-2-ones and {sup 1}H-pyrazole derivatives are new oleochemicals with potentially interesting and differential properties. (author)

  20. Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions

    Science.gov (United States)

    Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng

    2016-09-01

    Three new metal coordination complexes, namely, [Co(BPO)2(H2O)4](BS)2(H2O)2 (1), [Co(BPO)2(H2O)4](ABS)2(H2O)2 (2), [Co(BPO)2(H2O)4](MBS)2(H2O)2 (3) [BPO=2,5-di(pyridin-4-yl)-1,3,4-oxadiazole, BS=benzenesulphonate, ABS=4-aminobenzenesulphonate, MBS=4-methylbenzenesulphonate] were obtained under hydrothermal conditions. Complexes 1-3 were structurally characterized by single-crystal X-ray diffraction, powder X-ray diffraction, IR and thermogravimetric analyses (TGA). All of them display a zero-dimensional motif, in which strong intermolecular hydrogen bonding interactions (O-H···O/N) and packing interactions (C-H···π and π···π) make them achieve a three-dimensional supramolecular architecture. The primary catalytic results of these three complexes show that high efficiency for the green synthesis of a variety of 3,4-dihydropyrimidin-2(1H)-ones was observed under solvent free conditions through Biginelli reactions. The present catalytic protocols exhibit advantages such as excellent yield, easy isolation, eco-friendly conditions, and short reaction time.

  1. Synthesis of 16 alpha-3H androgen and estrogen substrates for 16 alpha-hydroxylase.

    Science.gov (United States)

    Cantineau, R; Kremers, P; De Graeve, J; Cornelis, A; Laszlo, P; Gielen, J E; Lambotte, R

    1981-02-01

    The synthesis of 16 alpha-3H androgens and estrogens is described. 1-(3H)-Acetic acid in the presence of zinc dust reacts with 16 alpha-bromo-17-ketosteroids to produce 16 alpha-3H-17-ketosteroids. This chemical reaction was used to prepare 16 alpha-3H-dehydroepiandrosterone (I) and 16 alpha-3H-estrone acetate (XI) from 16 alpha-bromo-dehydroepiandrosterone (X) and from 16 alpha-bromo-estrone acetate (XII), respectively. Using appropriate microbiological techniques, it was possible to convert these radiolabelled substrates into 16 alpha-3H-androstenedione (II) and 16 alpha-3H-estradiol-17 beta (VII). 16 alpha-3H-Estrone (VI) was obtained by the chemical hydrolysis of 16 alpha-3H-estrone acetate. The label distribution as determined by microbiological 16 alpha-hydroxylations indicated a specific labelling of 77% for androgens and 65% for estrogens in the 16 alpha position. These substrates can be used for measuring the 16 alpha hydroxylase activity, an important step in the biosynthesis of estriol (VIII) and estetrol (IX). PMID:7013160

  2. [3H]-DOB(4-bromo-2,5-dimethoxyphenylisopropylamine) and [3H] ketanserin label two affinity states of the cloned human 5-hydroxytryptamine2 receptor

    International Nuclear Information System (INIS)

    The binding properties of the 5-hydroxytryptamine2 (5-HT2) receptor have been the subject of much interest and debate in recent years. The hallucinogenic amphetamine derivative 4-bromo-2,5-dimethoxyphenylisopropylamine (DOB) has been shown to bind to a small number of binding sites with properties very similar to [3H]ketanserin-labeled 5-HT2 receptors, but with much higher agonist affinities. Some researchers have interpreted this as evidence for the existence of a new subtype of 5-HT2 receptor (termed 5-HT2A), whereas others have interpreted these data as indicative of agonist high affinity and agonist low affinity states for the 5-HT2 receptor. In this investigation, a cDNA clone encoding the serotonin 5-HT2 receptor was transiently transfected into monkey kidney Cos-7 cells and stably transfected into mouse fibroblast L-M(TK-) cells. In both systems, expression of this single serotonin receptor cDNA led to the appearance of both [3H]DOB and [3H]ketanserin binding sites with properties that matched their binding characteristics in mammalian brain homogenates. Addition of guanosine 5'-(beta, gamma-imido) triphosphate [Gpp(NH)p] to this system caused a rightward shift and steepening of agonist competition curves for [3H] ketanserin binding, converting a two-site binding curve to a single low affinity binding state. Gpp(NH)p addition also caused a 50% decrease in the number of high affinity [3H]DOB binding sites, with no change in the dissociation constant of the remaining high affinity states. These data on a single human 5-HT2 receptor cDNA expressed in two different transfection host cells indicate that [3H]DOB and [3H]ketanserin binding reside on the same gene product, apparently interacting with agonist and antagonist conformations of a single human 5-HT2 receptor protein

  3. (H)N(COCA)NH and HN(COCA)NH experiments for 1H-15N backbone assignments in 13C/15N-labeled proteins

    Energy Technology Data Exchange (ETDEWEB)

    Bracken, Clay; Palmer, Arthur G. III [Columbia University, Department of Biochemistry and Molecular Biophysics (United States); Cavanagh, John [New York State Department of Health, NMR Structural Biology Facility, Wadsworth Center (United States)

    1997-01-15

    Triple resonance HN(COCA)NH pulse sequences for correlating 1H(i), 15N(i),1H(i-1), and 15N(i-1) spins that utilize overlapping coherence transfer periods provide increased sensitivity relative to pulse sequences that utilize sequential coherence transfer periods. Although the overlapping sequence elements reduce the overall duration of the pulse sequences, the principal benefit derives from a reduction in the number of 180 deg. pulses. Two versions of the technique are presented: a 3D (H)N(COCA)NH experiment that correlates 15N(i),1H(i-1), and 15N(i-1) spins, and a 3D HN(COCA)NH experiment that correlates 1H(i), 15N(i),1H(i-1), and 15N(i-1) spins by simultaneously encoding the 1H(i) and 15N(i) chemical shifts during the t1 evolution period. The methods are demonstrated on a 13C/15N-enriched sample of the protein ubiquitin and are easily adapted for application to 2H/13C/15N-enriched proteins.

  4. 1-Benzyl-1H-benzotriazole 3-oxide–1-hydroxy-1H-benzotriazole (1/1

    Directory of Open Access Journals (Sweden)

    P. Selvarathy Grace

    2012-08-01

    Full Text Available In the title compound, C6H5N3O·C13H11N3O, the benzotriazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A molecule is close to being planar (r.m.s. deviation = 0.011 Å; its mean plane forms a dihedral angle of 67.56 (7° with that of the attached phenyl ring. The benzotriazole ring system in the 1-hydroxybenzotriazole (B molecule is also close to being planar (r.m.s. deviation = 0.010 Å. In the crystal, weak C—H...O and C—H...π interactions are present. The A and B molecules are linked by an O—H...N hydrogen bond.

  5. Nuclear magnetic resonance study of the ferroelastic phase transition of order-disorder type in [N(C2H5)4]2CdCl4

    Science.gov (United States)

    Lim, Ae Ran; Kim, Min Soo; Lim, Kye-Young

    2016-08-01

    This study uses nuclear magnetic resonance (NMR) techniques to examine the detailed changes in [N(C2H5)4]2CdCl4 around its phase transition at the temperature TC = 284 K. The chemical shifts and spin-lattice relaxation times in the rotating frame (T1ρ) were determined from 1H magic angle spinning (MAS) NMR and 13C cross-polarization (CP)/MAS NMR spectra. The two sets of inequivalent 1H and 13C nuclei in CH3 and CH2 were distinguished. A ferroelastic phase transition was observed at TC, without structural symmetry change. The phase transition is mainly attributed to the orientational ordering of the [N(C2H5)4]+ cations, and the spectral splitting at low temperature is associated with different ferroelastic domains.

  6. Synthesis and characterization of two novel coordination polymers based on the rigid 1H-1,2,3-triazole-4,5-dicarboxylic acid ligand

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Two novel three-dimensional (3-D) coordination polymers, [Pb(HTDA)]n (1) and [Co5(TDA)2(H2TDA)2(H2O)8]n (2) [H3TDA = 1H-1,2,3-triazole-4,5-dicarboxylic acid], have been prepared by hydrothermal reactions and characterized by elemental analysis, infrared spectroscopy and single-crystal X-ray diffraction. Compound 1 is constructed from rod-shaped secondary building units (SBUs) and exhibits a 3-D network with (410·65)(410·63·82) topology. Compound 2 is built up from ligands bridging three different cobalt ions and exhibits a 3-D network with (4·82)3(4·82·103) topology. In addition, the thermal stabilities of the two compounds, the photoluminescence properties of compound 1 and the magnetic properties of compound 2 have been studied.

  7. A facile synthesis and fungicidal activities of 2-(alkylamino-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H-ones

    Directory of Open Access Journals (Sweden)

    2008-12-01

    Full Text Available The aza-Wittig reactions of iminophosphorane 3 with aromatic isocyanates generated carbodiimides 4, which were reacted with alkylamines under mild conditions to give a series of 2-(alkylamino-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H-ones 6 and 8 in satisfactory yield. Their structures were confirmed by 1H NMR, EI-MS, IR and elementary analysis, and compound 8c was further analyzed by single-crystal X-ray diffraction. The preliminary bioassays indicated that these compounds showed excellent fungicidal activities against six kinds of fungi.

  8. Numerical Analysis on the Characteristics of Soot Particles in C2H4/CO2/O2/N2 Combustion

    Institute of Scientific and Technical Information of China (English)

    LI Shanling; JIANG Yong; CHEN Wenting

    2013-01-01

    The purpose of this study is to investigate the characteristics of soot particles in C2H4/CO2/O2/N2 combustion at equivalence ratio of 3.0-5.0.As the oxidant is switched from conventional air to CO2/O2/N2 mixture,the key species C2H2,C3H3 responsible for formation of first aromatic ring,the typical aromatics and 4-ring aromatics total production rate all decrease greatly.In addition,with CO2 mole fraction from 0.2 to 0.5 in the mixture,the soot particle number density,volume fraction,surface area density,which are three most important parameters to soot particle property,are suppressed obviously.Furthermore,the increasing content of CO2 in the oxidizer influences mostly H,OH radical concentrations by two reactions:CO + OH=CO2 + H and H + O2=O + OH,and the production rate of H,OH from the two reactions declined,which revealed that CO2 in mixture has an inhibiting effect on soot particle generation.

  9. The phonon splitting and anisotropic effect of B2H6 molecular in the C2v minima

    International Nuclear Information System (INIS)

    Based on Jahn-Teller effect theory, quantum theory and group theory, the phonon splitting and anisotropic phenomena of the E ⊗e' system for B2H6 molecules with D3h symmetry are studied in the C2v minima. The vibration frequency of the system after Jahn-Teller distortion is calculated using the unitary shift transformation and modified scale transformation, it is found that the doubly degenerate vibration state e' is split into two states and its degeneration is completely lifted because of Jahn-Teller distortion. No matter which of the four C2v minima the system is in, the phonon splitting of the system is completely same. The Jahn-Teller distortion results in that the ground state of the system has lower energy after the distortion than before the distortion, B2H6 molecules will achieve a more stable state after the distortion just for the energy lessening. The phonon splitting is further discussed using group theory in this paper, the discussed results show that the vibration state e' of the system is split into two states respectively with a1 and b2 symmetries under the group C2v. The phonon splitting signifies that the isotropy of B2H6 molecules is destroyed and its anisotropy should appear. (authors)

  10. Synthesis of 2,3-Dihydro-6-methyl-2-thiopyrimidin-4(1H-one (6-Methylthiouracil Derivatives and Their Reactions

    Directory of Open Access Journals (Sweden)

    Mohammad Barmaki

    2013-01-01

    Full Text Available The synthesis and characterization of 2,3-dihydro-6-methyl-2-thioxopyrimidin-(1H-one (I and some of its derivatives has been performed in our lab. Ring-closing cyclization, as a result of the condensation of ethyl-3-oxobutanoate with thiourea in KOH in an ethanol medium produced 2,3-dihydro-6-methy -2-thioxopyrimidin-(1H-one (I. The reaction of compound (I with 2- chloroacetic acid in an alkaline KOH solution produced the carboxylate derivative, 2-(2,6-dihydro-4-methyl-6-oxopyrimidin-2-yl-thioethanoic acid (II. The reaction of the resulted derivative of carboxylate (II with the salt of copper sulphate, produced a new copper salt (III. A substitution reaction between synthesized compound (I and 2-chloroethanol in an aqueous solution of KOH, created 2-(2-hydroxyethylthio-6-methylpyrimidin-4(3H-one (IV. The reaction of compound (I with 2-(chloromethyloxirane in the presence of an aqueous solution of KOH, resulted yielded 2-(3-chloro-2-hydroxy-propylthio-6-methylpyrimidin-4(3H-one (V. Sodium mercaptide compound (VI, was produced by the reaction of (I with NaOH and then the sodium salt of 2,3-dihydro-6-methyl-2-thioxopyrimidin-(1H-one (VI was reacted with 2-(chloromethyloxirane to result in 2-((oxiran-2-yl methyl-thio-6-methyl-pyrimidin-4(3H-one (VII. Different acylation reagents (acetyl chloride, benzoyl chloride were reacted with compound (I, in dimethylformamide, acylation happens on sulfur and furnished S-acylified derivatives of (VIII-IX. All the synthesized and obtained products were confirmed by IR, 1H, and 13C NMR and elemental analysis.

  11. 1H homonuclear editing of rat brain using semiselective pulses

    International Nuclear Information System (INIS)

    The authors have used a semiselective Hahn spin-echo sequence of the form (1331)-tau-(2662)-tau-AQ, delivered by a surface coil to obtain high-resolution 1H NMR spectra from the brains of intact dead rats. This sequence gave suppression of the tissue water resonance by a factor of 80,000 when tau = 68 ms. Delivery of a frequency-selective Dante pulse train to the alpha-CH resonance of lactate at 4.11 ppm, simultaneously with the 2662 refocusing pulse, altered the j-modulation in the spin-coupled beta-CH3 protons. Subtraction of this spectrum from one in which the Dante was ineffective gave an edited spectrum containing only the beta-CH3 resonance of lactate at 1.31 ppm. When the position of the Dante was shifted to 3.78 ppm to selectively invert the alpha-CH protons of alanine, an edited spectrum of alanine was obtained

  12. Tacrine derivatives-acetylcholinesterase interaction: 1H NMR relaxation study.

    Science.gov (United States)

    Delfini, Maurizio; Di Cocco, Maria Enrica; Piccioni, Fabiana; Porcelli, Fernando; Borioni, Anna; Rodomonte, Andrea; Del Giudice, Maria Rosaria

    2007-06-01

    Two acetylcholinesterase (AChE) inhibitors structurally related to Tacrine, 6-methoxytacrine (1a) and 9-heptylamino-6-methoxytacrine (1b), and their interaction with Electrophorus Electricus AChE were investigated. The complete assignment of the 1H and 13C NMR spectra of 1a and 1b was performed by mono-dimensional and homo- and hetero-correlated two-dimensional NMR experiments. This study was undertaken to elucidate the interaction modes between AChE and 1a and 1b in solution, using NMR. The interaction between the two inhibitors and AChE was studied by the analysis of the motional parameters non-selective and selective spin-lattice relaxation times, thereby allowing the motional state of 1a and 1b, both free and bound with AChE, to be defined. The relaxation data pointed out the ligands molecular moiety most involved in the binding with AChE. The relevant ligand/enzyme interaction constants were also evaluated for both compounds and resulted to be 859 and 5412M(-1) for 1a and1b, respectively.

  13. Modeling and validating tritium transfer in a grassland ecosystem in response to {sup 3}H releases

    Energy Technology Data Exchange (ETDEWEB)

    Le Dizes, S.; Maro, D.; Rozet, M.; Hebert, D.; Solier, L.; Nicoulaud, V. [Institut de radioportection et de surete nucleaire - IRSN (France); Vermorel, F.; Aulagnier, C. [Electricite de France - EDF (France)

    2014-07-01

    Tritium ({sup 3}H) is a major radionuclide released in several forms (HTO, HT) by nuclear facilities under normal operating conditions. In terrestrial ecosystems, tritium can be found under two forms: tritium in tissue free water (TFWT) following absorption of tritiated water by leaves or roots and Organically Bound Tritium (OBT) resulting from TFWT incorporation by the plant organic matter during photosynthesis. In order to study transfers of tritium from atmospheric releases to terrestrial ecosystem such as grasslands, an in-situ laboratory has been set up by IRSN on a ryegrass field plot located 2 km downwind the AREVA NC La Hague nuclear reprocessing plant (North-West of France), as was done in the past for the assessment of transfer of radiocarbon in grasslands. The objectives of this experimental field are: (i) to better understand the OBT formation in plant by photosynthesis, (ii) to evaluate transfer processes of tritium in several forms (HT, HTO) from the atmosphere (air and rainwater) to grass and soil, (iii) to develop a modeling allowing to reproduce the dynamic response of the ecosystem to tritium atmospheric releases depending of variable environmental conditions. For this purpose, tritium activity measurements will be carried out in grass (monthly measurements of HTO, OBT), in air, rainwater, soil (daily measurements of HT, HTO) and CO{sub 2}, H{sub 2}O fluxes between soil and air compartments will be carried out. Then, the TOCATTA-c model previously developed to simulate {sup 14}C transfers to pasture on a hourly time-step basis will be adapted to take account for processes specific to tritium. The model will be tested by a comparison between simulated results and measurements. The objectives of this presentation are (1) to present the organization of the experimental design of the VATO study (Validation of TOCATTA) dedicated to transfers of tritium in a grassland ecosystem, (2) to document the major assumptions, conceptual modelling and

  14. Chanabayaite, Cu2(N3C2H2)Cl(NH3,Cl,H2O,□)4, a new mineral containing triazolate anion

    Science.gov (United States)

    Chukanov, N. V.; Zubkova, N. V.; Möhn, G.; Pekov, I. V.; Pushcharovsky, D. Yu.; Zadov, A. E.

    2015-12-01

    A new mineral, chanabayaite, has been discovered at a guano deposit located at Mt. Pabellón de Pica near the village of Chanabaya, Iquique Province, Tarapacá region, Chile. It is associated with salammoniac, halite, joanneumite, nitratine and earlier chalcopyrite. Chanabayaite occurs as blue translucent imperfect prismatic crystals, up to 0.05 × 0.1 × 0.5 mm in size, and their radial aggregates. Chanabayaite is brittle, with a Mohs' hardness of 2. The cleavage is perfect on (001) and imperfect on (100) and (010). D meas = 1.48(2) g/cm3, D calc = 1.464 g/cm3. The mineral is optically biaxial (-), α = 1.561(2), β = 1.615(3), γ = 1.620(2), 2 V meas = 25(10)°, 2 V calc = 33°. Pleochroism is strong, Z ≈ Y (deep blue) ≫ X (pale blue with gray tint). IR spectrum is given. The chemical composition (electron microprobe data for Cu, Fe and Cl; gas chromatography data for H, N, C and O) is as follows (wt %): 32.23 Cu, 1.14 Fe, 16.13 Cl, 3.1 H, 29.9 N, 12.2 C, 3.4 O, total is 98.1. The empirical formula is ( Z = 4): Cu1.92Fe0.08Cl1.72N8.09C3.85H11.66O0.81. The structural model was based on the single-crystal X-ray diffraction data ( R = 0.1627). Chanabayaite is orthorhombic, space group Imma, a = 19.484(3), b = 7.2136(10), c = 11.999(4) Å, V = 1686.5(7) Å3, Z = 2. In chanabayaite, chains of the corner-sharing Cu(l)-centered octahedra and single Cu(2)-centered octahedra are linked via 1,2,4-triazolate anions C2N3H2 -. NH3 and Cl- are additional ligands coordinating Cu2+. Chanabayaite is a transformational mineral species formed by leaching of Na and one third of Cl and partial dehydration of the protophase Na2Cu2Cl3(N3C2H2)2(NH3)2 • 4H2O. The strongest reflections in the powder X-ray diffraction pattern [ d, Å ( I, %) ( hkl)] are detected: 10.19 (100) (101), 6.189 (40) (011), 5.729 (23) (301), 5.216 (75) (211, 202), 4.964 (20) (400), 2.830 (20) (602, 413, 503), 2.611 (24) (123, 422, 404).

  15. Measurement of specific [3H]-ouabain binding to different types of human leucocytes

    DEFF Research Database (Denmark)

    Boon, Arnold; Oh, V M; Taylor, John E.;

    1984-01-01

    We have studied the specific binding of [3H]-ouabain to intact mononuclear leucocytes (82% lymphocytes) and polymorphonuclear leucocytes. In both types of cells [3H]-ouabain binding was saturable, confined to a single site of high affinity, slow to reach equilibrium, slow to reverse, temperature-...

  16. Data of evolutionary structure change: 1JJIA-3H1BA [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available hain> 3H1BA WLLDQ----GFKPQ ...>HHH ---- > ATOM 942 CA TRP A 127 -20.677 16.86...Chain>1JJIA WVAENAEELRIDPS ture>HHHH HHHH ...3H1BA LNGAD-AKHPY >H - HH...ure> GGGGG HH> ATOM 1801 CA PHE A 223

  17. The abundance of C3H2 and other small hydrocarbons in the diffuse interstellar medium

    CERN Document Server

    Liszt, Harvey; Cordiner, Martin; Gerin, Maryvonne

    2012-01-01

    Hydrocarbons are ubiquitous in the interstellar medium, observed in diverse environments ranging from diffuse to molecular dark clouds and strong photon-dominated regions near HII regions. Recently, two broad diffuse interstellar bands (DIBs) at 4881{\\AA} and 5450{\\AA} were attributed to the linear version of propynylidene l-C3H2, a species whose more stable cyclic conformer c-C3H2 has been widely observed in the diffuse interstellar medium at radio wavelengths. This attribution has already been criticized on the basis of indirect plausibility arguments because the required column densities are quite large, N(l-C3H2)/EB-V = 4 \\times 1014 cm-2 mag-1. Here we present new measurements of N(l-C3H2) based on simultaneous 18-21 GHz VLA absorption profiles of cyclic and linear C3H2 taken along sightlines toward extragalactic radiocontinuum background sources with foreground Galactic reddening EB-V = 0.1 - 1.6 mag. We find that N(l-C3H2)/N(c-C3H2) ? 1/15 - 1/40 and N(l-C3H2)/EB-V ? 2 \\pm 1 \\times 1011 cm-2 mag-1, so ...

  18. Behavior of substances labeled with 3H-proline and 3H-fucose in the cellular processes of odontoblasts and ameloblasts

    International Nuclear Information System (INIS)

    Odontoblasts are cells with single cytoplasmic processes that grow longer as more dentin is elaborated. Ameloblasts also have single processes and it has been postulated that they too grow longer as more enamel is made. Support for this hypothesis was obtained using rat incisors to investigate the behavior of substances labeled with 3H-proline and 3H-fucose. A comparison was made between odontoblasts, which have processes known to grow and remain within the dentin, and the ameloblasts whose Tomes' processes are hypothesized to grow and leave remnants in the completed enamel. With 3H-proline, the odontoblast bodies are labeled at the early time intervals. With 3H-fucose, the cell bodies are labeled at the early intervals and the newly formed glycoproteins are deposited into the predentin. Almost immediately, these are progressively added to the dentin at the calcification front. With time a gradient of labeling extends from the unlabeled dentin toward the odontoblast bodies. Unlike the behavior of labeled proteins, by 1 and 2 days labeled glycoproteins appear along the entire length of the odontoblast processes. In the enamel, no Tomes' processes are present during maturation. With 3H-proline, reactions are adjacent to the cells and diffuse toward, but do not reach the dentino-enamel junction by 1 and 2 days. With 3H-fucose, reactions appear over the enamel near the cells. By 1 and 2 days no diffusive pattern is seen, but grains are concentrated near the dentino-enamel junction, in a region containing holes known to be the beginning of Tomes' processes. Since odontoblast glycoproteins migrate along odontoblast processes, it was postulated that cytoplasmic remnants were present in enamel along which ameloblast glycoproteins could also migrate to reach the holes at the dentino-enamel junction

  19. Groundwater dating with 3H and SF6 in relation to mixing patterns, transport modelling and hydrochemistry

    Science.gov (United States)

    Zuber, A.; Witczak, S.; Róaski, K.; Liwka, I.; Opoka, M.; Mochalski, P.; Kuc, T.; Karlikowska, J.; Kania, J.; Jackowicz-Korczyski, M.; Duliski, M.

    2005-07-01

    A comprehensive study of a sandy aquifer of deltaic origin in southern Poland included water chemistry, isotopes, dissolved trace gases and transport modelling. Tritium, sulphur hexafluoride (SF6) and freons (F-11, F-12 and F-113) showed the presence of modern waters in the recharge areas and shallow confined parts of the aquifer. The presence of older Holocene waters farther from the recharge areas was indicated by lack of 3H, SF6 contents 0.02 fmol l-1 and relatively low 14C values. The discharge from the system is by upward seepage in the valley of a major river. Pre-Holocene waters of a cooler climate, identified on the basis of 18O, 2H, 14C, Ne and Ar data, were found in some distant wells. Concentrations of N2, Ne and Ar determined by gas chromatography were used for calculating the noble gas temperatures, air excess needed for correction of SF6, and nitrogen content released by denitrification process. The time series of 3H content available for some wells supplied quantitative information on age distributions and the total mean ages of flow through the unsaturated and saturated zones. The derived 3H age distributions turned out to be very wide, with mean values in the range of about 30 to 160 years. For each well with determined 3H age, the SF6 data showed either a lower age range or the possibility of a lower age as expected due to shorter travel times of SF6 through the unsaturated zone, which most probably also resulted in different types of age distributions of these tracers. Freons appeared to be of little use for individual age determinations. A quantitative estimation of two-component mixing from SF63H relations is not possible unless the travel time of 3H through the unsaturated zone is comparable to that of SF6. The ratio of integrals of the response function over the age range with tracer and the whole response function yields the ratio of water with tracer to total flow of water. That ratio is a tracer-dependent function of time. Transport

  20. Synthesis and biological evaluation of negative allosteric modulators of the Kv11.1(hERG) channel.

    Science.gov (United States)

    Yu, Zhiyi; van Veldhoven, Jacobus P D; 't Hart, Ingrid M E; Kopf, Adrian H; Heitman, Laura H; IJzerman, Adriaan P

    2015-12-01

    We synthesized and evaluated a series of compounds for their allosteric modulation at the Kv11.1 (hERG) channel. Most compounds were negative allosteric modulators of [(3)H]dofetilide binding to the channel, in particular 7f, 7h-j and 7p. Compounds 7f and 7p were the most potent negative allosteric modulators amongst all ligands, significantly increasing the dissociation rate of dofetilide in the radioligand kinetic binding assay, while remarkably reducing the affinities of dofetilide and astemizole in a competitive displacement assay. Additionally, both 7f and 7p displayed peculiar displacement characteristics with Hill coefficients significantly distinct from unity as shown by e.g., dofetilide, further indicative of their allosteric effects on dofetilide binding. Our findings in this investigation yielded several promising negative allosteric modulators for future functional and clinical research with respect to their antiarrhythmic propensities, either alone or in combination with known Kv11.1 blockers. PMID:26519929

  1. Photoaffinity labeling of the dopamine reuptake carrier protein with 3-azido 3H GBR-12935

    International Nuclear Information System (INIS)

    A high affinity tritiated azido-diphenylpiperazine derivative, 3-azido 3H GBR-12935, was synthesized as a potential photoaffinity probe of the dopamine transporter. Initially, the reversible binding of 3-azido 3H GBR-12935 to crude synaptosomal membranes from the rat striatum was characterized. Specific binding was sodium dependent and inhibited by a variety of drugs that are known to potently inhibit dopamine uptake. Other neurotransmitter uptake inhibitors, as well as cis-flupenthixol, a potent inhibitor of 3H GBR-12935 binding to piperazine binding sites, failed to inhibit specific binding at concentrations of less than or equal to 10 microM. A good correlation was observed between the relative potencies of these drugs in inhibiting dopamine uptake into synaptosomes and in inhibiting specific 3-azido 3H GBR-12935 binding to rat striatal membranes. These data suggest that 3-azido 3H GBR-12935, like other diphenylpiperazines such as 3H GBR-12935 and 3H GBR-12909, binds primarily to the dopamine transporter under defined assay conditions. After UV photolysis of crude synaptosomal membranes preincubated with 3-azido 3H GBR-12935 (1-2 nM), a single radiolabeled polypeptide with an apparent molecular mass of 80 kDa was observed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and fluorography. Photoincorporation of 3-azido 3H GBR-12935 into this polypeptide was inhibited selectively by compounds that inhibit the uptake of dopamine and was completely dependent on the presence of Na+. No photolabeled proteins were observed when cerebellar membranes were substituted for striatal membranes. Essentially complete adsorption of the radiolabeled 80-kDa polypeptide to wheat germ agglutinin and elution with N-acetyl-D-glucosamine strongly suggest that the dopamine transporter polypeptide photolabeled by 3-azido 3H GBR-12935 is glycosylated

  2. 2H NMR studies of supercooled and glassy aspirin

    Science.gov (United States)

    Nath, R.; Nowaczyk, A.; Geil, B.; Bohmer, R.

    2007-11-01

    Acetyl salicylic acid, deuterated at the methyl group, was investigated using 2H-NMR in its supercooled and glassy states. Just above the glass transition temperature the molecular reorientations were studied using stimulated-echo spectroscopy and demonstrated a large degree of similarity with other glass formers. Deep in the glassy phase the NMR spectra look similar to those reported for the crystal [A. Detken, P. Focke, H. Zimmermann, U. Haeberlen, Z. Olejniczak, Z. T. Lalowicz, Z. Naturforsch. A 50 (1995) 95] and below 20 K they are indicative for rotational tunneling with a relatively large tunneling frequency. Measurements of the spin-lattice relaxation times for temperatures below 150 K reveal a broad distribution of correlation times in the glass. The dominant energy barrier characterizing the slow-down of the methyl group is significantly smaller than the well defined barrier in the crystal.

  3. Doping dependent plasmon dispersion in 2 H -transition metal dichalcogenides

    Science.gov (United States)

    Müller, Eric; Büchner, Bernd; Habenicht, Carsten; König, Andreas; Knupfer, Martin; Berger, Helmuth; Huotari, Simo

    2016-07-01

    We report the behavior of the charge carrier plasmon of 2 H -transition metal dichalcogenides (TMDs) as a function of intercalation with alkali metals. Intercalation and concurrent doping of the TMD layers have a substantial impact on plasmon energy and dispersion. While the plasmon energy shifts are related to the intercalation level as expected within a simple homogeneous electron gas picture, the plasmon dispersion changes in a peculiar manner independent of the intercalant and the TMD materials. Starting from a negative dispersion, the slope of the plasmon dispersion changes sign and grows monotonously upon doping. Quantitatively, the increase of this slope depends on the orbital character (4 d or 5 d ) of the conduction bands, which indicates a decisive role of band structure effects on the plasmon behavior.

  4. Detailed Studies of Hydrocarbon Radicals: C2H Dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Wittig, Curt

    2014-10-06

    A novel experimental technique was examined whose goal was the ejection of radical species into the gas phase from a platform (film) of cold non-reactive material. The underlying principle was one of photo-initiated heat release in a stratum that lies below a layer of CO2 or a layer of amorphous solid water (ASW) and CO2. A molecular precursor to the radical species of interest is deposited near or on the film's surface, where it can be photo-dissociated. It proved unfeasible to avoid the rampant formation of fissures, as opposed to large "flakes." This led to many interesting results, but resulted in our aborting the scheme as a means of launching cold C2H radical into the gas phase. A journal article resulted that is germane to astrophysics but not combustion chemistry.

  5. Selective photochemistry at stereogenic metal and ligand centers of cis-[Ru(diphosphine)2(H)2]: preparative, NMR, solid state, and laser flash studies.

    Science.gov (United States)

    Câmpian, Marius V; Perutz, Robin N; Procacci, Barbara; Thatcher, Robert J; Torres, Olga; Whitwood, Adrian C

    2012-02-22

    Three ruthenium complexes Λ-[cis-Ru((R,R)-Me-BPE)(2)(H)(2)] Λ-R,R-Ru1H(2), Δ-[cis-Ru((S,S)-Me-DuPHOS)(2)(H)(2)] Δ-S,S-Ru2H(2), and Λ-[cis-Ru((R,R)-Me-DuPHOS)(2)(H)(2)] Λ-R,R-Ru2H(2) (1 = (Me-BPE)(2), 2 = (Me-DuPHOS)(2)) were characterized by multinuclear NMR and CD spectroscopy in solution and by X-ray crystallography. The chiral ligands allow the full control of stereochemistry and enable mechanistic studies not otherwise available. Oxidative addition of E-H bonds (E = H, B, Si, C) was studied by steady state and laser flash photolysis in the presence of substrates. Steady state photolysis shows formation of single products with one stereoisomer. Solid state structures and circular dichroism spectra reveal a change in configuration at ruthenium for some Δ-S,S-Ru2H(2)/Λ-R,R-Ru2H(2) photoproducts from Λ to Δ (or vice versa) while the configuration for Λ-R,R-Ru1H(2) products remains unchanged as Λ. The X-ray structure of silyl hydride photoproducts suggests a residual H(1)···Si(1) interaction for Δ-[cis-Ru((R,R)-Me-DuPHOS)(2)(Et(2)SiH)(H)] and Δ-[cis-Ru((R,R)-Me-DuPHOS)(2)(PhSiH(2))(H)] but not for their Ru(R,R-BPE)(2) analogues. Molecular structures were also determined for Λ-[cis-Ru((R,R)-Me-BPE)(2)(Bpin)(H)], Λ-[Ru((S,S)-Me-DuPHOS)(2)(η(2)-C(2)H(4))], Δ-[Ru((R,R)-Me-DuPHOS)(2)(η(2)-C(2)H(4))], and trans-[Ru((R,R)-Me-DuPHOS)(2)(C(6)F(5))(H)]. In situ laser photolysis in the presence of p-H(2) generates hyperpolarized NMR spectra because of magnetically inequivalent hydrides; these experiments and low temperature photolysis with D(2) reveal that the loss of hydride ligands is concerted. The reaction intermediates [Ru(DuPHOS)(2)] and [Ru(BPE)(2)] were detected by laser flash photolysis and have spectra consistent with approximate square-planar Ru(0) structures. The rates of their reactions with H(2), D(2), HBpin, and PhSiH(3) were measured by transient kinetics. Rate constants are significantly faster for [Ru(BPE)(2)] than for [Ru(DuPHOS)(2

  6. 2H and 18O Freshwater Isoscapes of Scotland

    Science.gov (United States)

    Meier-Augenstein, Wolfram; Hoogewerff, Jurian; Kemp, Helen; Frew, Danny

    2013-04-01

    Scotland's freshwater lochs and reservoirs provide a vital resource for sustaining biodiversity, agriculture, food production as well as for human consumption. Regular monitoring of freshwaters by the Scottish Environment Protection Agency (SEPA) fulfils legislative requirements with regards to water quality but new scientific methods involving stable isotope analysis present an opportunity combining these mandatory monitoring schemes with fundamental research to inform and deliver on current and nascent government policies [1] through gaining a greater understanding of Scottish waters and their importance in the context of climate change, environmental sustainability and food security. For example, 2H and 18O isoscapes of Scottish freshwater could be used to underpin research and its applications in: • Climate change - Using longitudinal changes in the characteristic isotope composition of freshwater lochs and reservoirs as proxy, isoscapes will provide a means to assess if and how changes in temperature and weather patterns might impact on precipitation patterns and amount. • Scottish branding - Location specific stable isotope signatures of Scottish freshwater have the potential to be used as a tool for provenancing and thus protecting premium Scottish produce such as Scottish beef, Scottish soft fruit and Scottish Whisky. During 2011 and 2012, with the support of SEPA more than 110 samples from freshwater lochs and reservoirs were collected from 127 different locations across Scotland including the Highlands and Islands. Here we present the results of this sampling and analysis exercise isotope analyses in form of 2H and 18O isoscapes with an unprecedented grid resolution of 26.5 × 26.5 km (or 16.4 × 16.4 miles). [1] Adaptation Framework - Adapting Our Ways: Managing Scotland's Climate Risk (2009): Scotland's Biodiversity: It's in Your Hands - A strategy for the conservation and enhancement of biodiversity in Scotland (2005); Recipe For Success - Scotland

  7. First-principles study of structural, electronic and thermodynamic properties of EuMg{sub 2} and EuMg{sub 2}H{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Bian, Nan; Mo, Zhou-Sheng; Pan, Rong-Kai; Wang, Ming-Hui; Li, Peng-Bo [School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004 (China); Tang, Bi-Yu, E-mail: tangbiyu@gxu.edu.cn [School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004 (China); Department of Physics, Xiangtan University, Hunan Province 411105 (China)

    2013-02-15

    Within framework of the density functional theory, the structural and electronic properties of EuMg{sub 2} and its hydride EuMg{sub 2}H{sub 6} have been investigated. The calculated structural parameters are in good agreement with the experimental results, and the obtained formation enthalpies indicate that the stability of EuMg{sub 2} is lower than that of EuMg{sub 2}H{sub 6}. The calculated electronic structures show that both compounds exhibit a strong spin polarization feature near the Fermi level owing to the localized Eu-f electrons, and the EuMg{sub 2}H{sub 6} demonstrates mainly ionic characteristic. For thermodynamics of hydrogenation/dehydrogenation process of this system, the calculated reaction enthalpies along possible five reaction routes show that the most possible hydrogenation pathway is EuMg{sub 2}+3H{sub 2}{yields}EuMg{sub 2}H{sub 6}, while the favorable dehydrogenation pathway is EuMg{sub 2}H{sub 6}{yields}EuH{sub 2}+2Mg+2H{sub 2}. - The charge difference distribution (e/Bohr{sup 3}) (a) on (1010) plane of EuMg{sub 2}, (b) on (110) and (c) (020) planes of its hydride EuMg{sub 2}H{sub 6}. Highlights: Black-Right-Pointing-Pointer The Eu-f electron has important effects on stability and hydrogen storage behavior. Black-Right-Pointing-Pointer The hydride exhibits primary ionic characteristics. Black-Right-Pointing-Pointer Three types of Mg--H bonding display also obvious ionic feature with some covalence. Black-Right-Pointing-Pointer The dehydrogenation temperature of EuMg{sub 2}H{sub 6} is further determined.

  8. Methodological issues in the preparation and assay of platelet 3H-imipramine binding.

    Science.gov (United States)

    Severson, J A; Schneider, L S; Fredrickson, E R

    1990-07-01

    Several methodological factors in the preparation of platelets and the determination of platelet 3H-imipramine (3H-IMI) binding were examined. The ionic composition of the assay significantly affected platelet 3H-IMI binding. Approximately 25% of the specific binding of 3H-IMI to intact platelet preparations was retained in the absence of sodium and chloride ions. The addition of sodium ions enhanced the specific binding of 3H-IMI, but the addition of chloride in the presence of sodium had a more pronounced effect, enhancing binding approximately five-fold over that observed with the addition of sodium. Sodium was the only cation tested that enhanced binding. Only halides enhanced binding in the presence of sodium with the following order of potency: Cl- greater than Br- greater than I- = F-. Ions increased the density of binding sites (Bmax) and did not affect the affinity of the binding sites for 3H-IMI. In the presence of sodium and chloride, the use of serotonin (5HT) to define nonspecific binding in saturation experiments resulted in lower binding densities (Bmax) than when desipramine was used to define nonspecific binding. The component of binding that was insensitive to 5HT was roughly equal to the Bmax of 3H-IMI binding obtained in the absence of sodium and chloride using desipramine to define nonspecific binding. Overall, these data suggest that not all 3H-IMI binding that is displaced by desipramine is related to serotonergic mechanisms, and suggest that 5HT is a better choice than desipramine for the determination of the nonspecific binding of 3H-IMI. In addition, the binding of 3H-IMI to different platelet preparations was compared. The binding of 3H-IMI to intact platelets was less than that obtained using lysed platelet membranes when data were expressed per mg protein. The Coomassie Blue dye-binding method to determine platelet protein resulted in greater Bmax values than were obtained with the Folin phenol reagent method. The method of platelet

  9. Complete {sup 1}H and {sup 13}C NMR assignments of isojuripidine from Solanum asterophorum Mart

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Tania M.S.; Costa, Rodrigo A.; Oliveira, Eduardo J.; Barbosa-Filho, Jose M.; Agra, Maria F.; Camara, Celso A. [Universidade Federal da Paraiba, Joao Pessoa, PB (Brazil). Lab. de Tecnologia Farmaceutica]. E-mail: sarmento@ltf.ufpb.br

    2005-11-15

    Isojuripidine was isolated from the aerial parts of Solanum astherophorum Mart. Its structure was determined using a combination of homo- (1D {sup 1}H NMR, {sup 13}C NMR-HBBD and {sup 13}C NMRDEPT) and heteronuclear 2D NMR techniques ({sup 1}H-{sup 1}H-COSY, {sup 1}H-{sup 1}H-NOESY, HSQC, HMBC), and HREIMS. The unambiguous assignments of {sup 1}H and {sup 13}C NMR data of derivatives 3-N,6-Odiacetyl- isojuripidine and 3-N-cinnamoyl-isojuripidine are described. (author)

  10. Accumulation of radioactivity after repeated infusion of 3H-adrenaline and 3H-noradrenaline in the rat as a model animal.

    Science.gov (United States)

    Lepschy, M; Filip, T; Palme, R G

    2014-10-01

    Besides enzymatic inactivation, catecholamines bind non-enzymatically and irreversible to proteins. The physiological impact of these catecholamine adducts is still unclear. We therefore collected basic data about the distribution of catecholamine adducts in the rat after repeated intravenous administration of (3)H-adrenaline and (3)H-noradrenaline. In all animals radioactivity in blood increased until the last injection on Day 7 and decreased then slowly close to background values (plasma) or remained higher (erythrocytes). In all sampled tissues radioactivity could be found, but only in hair high amounts remained present even after 3 weeks. Half-life of rat serum albumin loaded with (3)H-adrenaline or (3)H-noradrenaline was not altered. This study provides basic knowledge about the distribution of catecholamines or their adducts, but physiological effects could not be demonstrated. However, for the first time deposition and accumulation of catecholamines (adducts) in the hair could be proven, suggesting that hair might be used for evaluating long term stress.

  11. 298 K rate coefficients for the reaction of OH with i-C3H7I, n-C3H7I and C3H8

    Directory of Open Access Journals (Sweden)

    J. N. Crowley

    2001-09-01

    Full Text Available The kinetics of the title reactions were investigated using the laser photolysis - resonance fluorescence method, employing the sequential two-photon dissociation of NO2 in the presence of H2 as the OH source. The 298 K rate constant for OH + C3H8 was found to be (1.15±0.1 × 10-12 cm3 s-1, in excellent agreement with the literature recommendation, and with a separate determination using HNO3 photolysis at 248 nm as the OH source. The 298 K rate constants for OH + n-C3H7I and i-C3H7I were measured for the first time and found to be (1.47±0.08 and (1.22±0.06 × 10-12 cm3 s-1, respectively. The errors include an assessment of systematic error due to concentration measurement, which, for the propyl-iodides was minimised by on-line UV-absorption spectroscopy. The implications of these results for the reactive iodine budget of the marine boundary layer are discussed.

  12. Electrochromic properties of multicolored novel polymer synthesized via combination of benzotriazole and N-functionalized 2,5-di(2-thienyl)-1H-pyrrole units

    International Nuclear Information System (INIS)

    Synthesis of new conducting polymers is desired since their electrochemical and optical properties enable them to be used as active layers in many device applications. Benzotriazole and N-functionalized 2,5-di(2-thienyl)-1H-pyrrole (SNS Series) containing polymers showed very promising results as electrochromic materials. In order to observe the effect of the combination of these two units, three new monomers; 2-(6-(2,5-bis(5-methylthiophen-2-yl)-1H-pyrrol-1-yl)hexyl)-4,7-di (thiophen-2-yl)-2H benzo[d][1,2,3]triazole (M1), 2-(6-(2,5-di(thiophen-2-yl)-1H-pyrrol-1-yl)hexyl)-4,7-di(thiophen-2-yl) -2H-benzo[d][1,2,3]triazole (M2) and 2-(6-(2,5-di(thiophen-2-yl)-1H-pyrrol-1-yl)hexyl)-4,7-bis (5-methylthiophen-2-yl)-2H-benzo[d][1,2,3]triazole (M3) were synthesized. To better characterize the electronic and spectroscopic properties of the monomers, density functional theory (DFT) and its time-dependent generalization (TD-DFT) were used to calculate their vertical ionization potentials, vertical electron affinity and to simulate and interpret their infrared and UV-vis spectra. The monomers were electrochemically polymerized and the resultant polymers were characterized with cyclic voltammetry and UV-vis-NIR spectroscopy techniques. An electrochromic device was constructed with electrochemical polymer of M2. The device switched between red and blue colors and showed exceptional optical memory

  13. Depletion of [3H]methyltrienolone cytosol binding in glucocorticoid-induced muscle atrophy (42001)

    International Nuclear Information System (INIS)

    The present study was undertaken to determine cytosol binding properties of [3H]methyltrienolone, a synthetic androgen, in comparison with [3]dexamethasone, a synthetic glucocorticoid, under conditions of glucocorticoid excess in skeletal muscle. Male hypophysectomized rats received either seven daily subcutaneous injections of cortisone acetate (CA) (100 mg x kg-1 body wt) or the vehicle, 1% carboxymethyl cellulose. Following treatment, both [3H]dexamethansone and [3H]methyltrienolone-receptor concentrations were decreased from those in vehicle-treated rats by more than 90 and 80%, respectively, in CA-treated animals. Scatchard analysis of [3H]methyltrienolone binding in muscles of vehicle-treated animals became nonlinear at high concentrations of labeled ligand and were reanalyzed by a two-component binding model. The lower affinity, higher capacity component, which was attributed to binding of methyltrienolone to a dexamethasone component, which was attributed to binding of methyltrienolone to a dexamethasone component, disappeared in muscles of CA-treated rats and Scatchard plots were linear. Receptor concentrations of the higher affinity lower capacity methyltrienolone component were similar in muscles of vehicle-treated and CA-treated groups. From competition studies, the high relative specificities of glucocorticoids for [3H]methyltrienolone binding in muscles of vehicle-treated animals were markedly reduced by CA treatment. In addition, the binding specificity data also showed strong competition by progesterone and methyltrienolone for [3H]dexamethasone binding and estradiol-17β for [3H]methyltrienolone binding

  14. [3H] glycogen hydrolysis in brain slices: responses to meurotransmitters and modulation of noradrenaline receptors

    International Nuclear Information System (INIS)

    Different agents have been investigated for their effects on [3H] glycogen synthesized in mouse cortical slices. Of these noradrenaline, serotonin and histamine induced clear concentration-dependent glycogenesis. [3H] glycogen hydrolysis induced by noradrenaline appears to be mediated by beta-adrenergic receptors because it is completely prevented by timolol, while phentolamine is ineffective. It seems to involve cyclic AMP because it is potentiated in the presence of isobutylmethylxanthine; in addition dibutyryl cyclic AMP (but not dibutyryl cyclic GMP) promotes glycogenolysis. Lower concentrations of noradrenaline were necessary for [3H] glycogen hydrolysis (ECsub(50) 0.5μM) than for stimulation of cyclic AMP accumulation (ECsub(50) = 8μM). After subchronic reserpine treatment the concentration-response curve to noradrenaline was significantly shifted to the left (ECsub(50) = 0.09 +- 0.02 μM as compared with 0.49 +- 0.08μM in saline-pretreated mice) without modifications of either the basal [3H] glycogen level, maximal glycogenolytic effect, or the dibutyryl cAMP-induced glycogenolytic response. In addition to noradrenaline, clear concentration-dependent [3H] glycogen hydrolysis was observed in the presence of histamine or serotonin. In contrast to the partial [3H] glycogen hydrolysis elicited by these biogenic amines, depolarization of the slices by 50 mM K+ provoked a nearly total [3H] glycogen hydrolysis. (author)

  15. Dopaminergic 3H-agonist receptors in rat brain: new evidence on localization and pharmacology

    Energy Technology Data Exchange (ETDEWEB)

    Bacopoulos, N.G.

    1984-01-23

    Recent methodological advances have allowed the reliable assay of specific dopaminergic 3H-agonist binding sites in rat striatum. Lesions of dopamine(DA) terminals or drugs which deplete DA levels prevent the preincubation-induced increase in binding, and this effect is completely reversible by preincubation with added DA. It is concluded that the evidence supporting the existence of presynaptic D-3 sites is artefactual and that 3H-DA binding sites are more likely related to post-synaptic receptors. 3H-DA binding involves two sites, one of which has pharmacologic properties similar to D-1 receptors, whereas the other resembles D-2 receptors. The affinity of 15 antipsychotic drugs for 3H-haloperidol binding sites was highly correlated (R = 0.94) with their inhibitory potency at a subset of 3H-DA binding sites. However, the inhibition of 3H-DA binding by antipsychotic drugs was noncompetitive. These findings can be explained by an allosteric model, whereby antagonists bind to a site different from but allosterically linked to a high-affinity 3H-DA binding site.

  16. Effects of hyperglycemia on glucose production and utilization in humans. Measurement with [3H]-2-, [3H]-3-, and [14C]-6-glucose

    International Nuclear Information System (INIS)

    Studies with tritiated isotopes of glucose have demonstrated that hyperglycemia per se stimulates glucose utilization and suppresses glucose production in humans. These conclusions rely on the assumption that tritiated glucose provides an accurate measure of glucose turnover. However, if in the presence of hyperglycemia the isotope either loses its label during futile cycling or retains its label during cycling through glycogen, then this assumption is not valid. To examine this question, glucose utilization and glucose production rates were measured in nine normal subjects with a simultaneous infusion of [3H]-2-glucose, an isotope that may undergo futile cycling but does not cycle through glycogen; [14C]-6-glucose, an isotope that may cycle through glycogen but does not futile cycle; and [3H]-3-glucose, an isotope that can both undergo futile cycling and cycle through glycogen. In the postabsorptive state at plasma glucose concentration of 95 mg X dl-1, glucose turnover determined with [14C]-6-glucose (2.3 +/- 0.1 mg X kg-1 X min-1) was greater than that determined with [33H]glucose (2.1 +/- 0.1 mg X kg-1 X min-1, P = 0.002) and slightly less than that determined with [3H]-2-glucose (2.7 +/- 0.2 mg X kg-1 X min-1, P = 0.08). Plasma glucose was then raised from 95 to 135 to 175 mg X dl-1 while insulin secretion was inhibited, and circulating insulin, glucagon, and growth hormone concentrations were maintained constant by infusion of these hormones and somatostatin. Glucose production and utilization rates determined with [14C]-6-glucose continued to be less than those determined with [3H]-2-glucose and greater than those seen with [3H]-3-glucose

  17. Autoradiographic localization of 3H-paroxetine-labeled serotonin uptake sites in rat brain

    International Nuclear Information System (INIS)

    Paroxetine is a potent and selective inhibitor of serotonin uptake into neurons. Serotonin uptake sites have been identified, localized, and quantified in rat brain by autoradiography with 3H-paroxetine; 3H-paroxetine binding in slide-mounted sections of rat forebrain was of high affinity (KD = 10 pM) and the inhibition affinity constant (Ki) values of various drugs in competing 3H-paroxetine binding significantly correlated with their reported potencies in inhibiting synaptosomal serotonin uptake. Serotonin uptake sites labeled by 3H-paroxetine were highly concentrated in the dorsal and median raphe nuclei, central gray, superficial layer of the superior colliculus, lateral septal nucleus, paraventricular nucleus of the thalamus, and the islands of Calleja. High concentrations of 3H-paroxetine binding sites were found in brainstem areas containing dopamine (substantia nigra and ventral tegmental area) and norepinephrine (locus coeruleus) cell bodies. Moderate concentrations of 3H-paroxetine binding sites were present in laminae I and IV of the frontal parietal cortex, primary olfactory cortex, olfactory tubercle, regions of the basal ganglia, septum, amygdala, thalamus, hypothalamus, hippocampus, and some brainstem areas including the interpeduncular, trigeminal, and parabrachial nuclei. Lower densities of 3H-paroxetine binding sites were found in other regions of the neocortex and very low to nonsignificant levels of binding were present in white matter tracts and in the cerebellum. Lesioning of serotonin neurons with 3,4-methylenedioxyamphetamine caused large decreases in 3H-paroxetine binding. The autoradiographic distribution of 3H-paroxetine binding sites in rat brain corresponds extremely well to the distribution of serotonin terminals and cell bodies as well as with the pharmacological sites of action of serotonin

  18. Autoradiographic localization of /sup 3/H-paroxetine-labeled serotonin uptake sites in rat brain

    Energy Technology Data Exchange (ETDEWEB)

    De Souza, E.B.; Kuyatt, B.L.

    1987-01-01

    Paroxetine is a potent and selective inhibitor of serotonin uptake into neurons. Serotonin uptake sites have been identified, localized, and quantified in rat brain by autoradiography with 3H-paroxetine; 3H-paroxetine binding in slide-mounted sections of rat forebrain was of high affinity (KD = 10 pM) and the inhibition affinity constant (Ki) values of various drugs in competing 3H-paroxetine binding significantly correlated with their reported potencies in inhibiting synaptosomal serotonin uptake. Serotonin uptake sites labeled by 3H-paroxetine were highly concentrated in the dorsal and median raphe nuclei, central gray, superficial layer of the superior colliculus, lateral septal nucleus, paraventricular nucleus of the thalamus, and the islands of Calleja. High concentrations of 3H-paroxetine binding sites were found in brainstem areas containing dopamine (substantia nigra and ventral tegmental area) and norepinephrine (locus coeruleus) cell bodies. Moderate concentrations of 3H-paroxetine binding sites were present in laminae I and IV of the frontal parietal cortex, primary olfactory cortex, olfactory tubercle, regions of the basal ganglia, septum, amygdala, thalamus, hypothalamus, hippocampus, and some brainstem areas including the interpeduncular, trigeminal, and parabrachial nuclei. Lower densities of 3H-paroxetine binding sites were found in other regions of the neocortex and very low to nonsignificant levels of binding were present in white matter tracts and in the cerebellum. Lesioning of serotonin neurons with 3,4-methylenedioxyamphetamine caused large decreases in 3H-paroxetine binding. The autoradiographic distribution of 3H-paroxetine binding sites in rat brain corresponds extremely well to the distribution of serotonin terminals and cell bodies as well as with the pharmacological sites of action of serotonin.

  19. Understanding the $\\rm C_3H_2$ cyclic-to-linear ratio in L1544

    OpenAIRE

    Sipilä, O.; Spezzano, S.; Caselli, P.

    2016-01-01

    Aims. We aim to understand the high cyclic-to-linear $\\rm C_3H_2$ ratio ($32 \\pm 4$) observed toward L1544 by Spezzano et al. (2016). Methods. We combine a gas-grain chemical model with a physical model for L1544 to simulate the column densities of cyclic and linear $\\rm C_3H_2$ observed toward L1544. The most important reactions for the formation and destruction of both forms of $\\rm C_3H_2$ are identified, and their relative rate coefficients are varied to find the best match to the observa...

  20. Ligand-Promoted Borylation of C(sp(3))-H Bonds with Palladium(II) Catalysts.

    Science.gov (United States)

    He, Jian; Jiang, Heng; Takise, Ryosuke; Zhu, Ru-Yi; Chen, Gang; Dai, Hui-Xiong; Dhar, T G Murali; Shi, Jun; Zhang, Hao; Cheng, Peter T W; Yu, Jin-Quan

    2016-01-11

    A quinoline-based ligand effectively promotes the palladium-catalyzed borylation of C(sp(3))-H bonds. Primary β-C(sp(3))-H bonds in carboxylic acid derivatives as well as secondary C(sp(3))-H bonds in a variety of carbocyclic rings, including cyclopropanes, cyclobutanes, cyclopentanes, cyclohexanes, and cycloheptanes, can thus be borylated. This directed borylation method complements existing iridium(I)- and rhodium(I)-catalyzed C-H borylation reactions in terms of scope and operational conditions. PMID:26611496

  1. Liquid scintillation counting of 3H-thymidine incorporated into rat lens DNA

    International Nuclear Information System (INIS)

    DNA synthesis in the lens has previously been localized by autoradiography following incorporation of 3H-thymidine. For the quantification of DNA synthesis in the lens, pooling of lenses and extraction of the DNA for liquid scintillation counting, has formerly been adapted. In the present investigation a method has been developed for the extraction of the unincorporated tracer from whole lenses after short time incubation in a medium containing 3H-thymidine. The 3H-thymidine incorporated into individual lenses was then detected by liquid scintillation counting after dissolution of the lenses. The sources of the variation in the method are evaluated. (author)

  2. The synthesis of (4- sup 3 H)oxiracetam - a novel nootropic agent

    Energy Technology Data Exchange (ETDEWEB)

    Crowe, A.M.; Lawrie, K.W.M.; Saunders, D. (SmithKline Beecham Pharmaceuticals, Welwyn (UK)); Pfeiffer, U. (ISF, Milan (Italy))

    1991-01-01

    The synthesis of (4-{sup 3}H)oxiracetam from ethyl 2-(4-chloro-3-oxo-butyramido)acetate is described. Ethyl 2-(4-chloro-3-oxo-butyramido)-acetate was reduced with sodium borotritide at Amersham International plc to give ethyl 2-(4-chloro-(3-{sup 3}H)-3-hydroxy-butyramido)acetate. This was elaborated, in four steps, to (4-{sup 3}H)oxiracetam in 4.8% overall radiochemical yield, furnishing 5735 {mu}Ci, 212 MBq, 41.8 {mu}g, of specific activity 21.7 Ci/mmol, 802.9 GBq/mmol, and radiochemical purity of greater than 98%. (author).

  3. catena-Poly[[[aquacopper(II]bis[μ-bis(3,5-dimethyl-1H-pyrazol-4-yl selenide

    Directory of Open Access Journals (Sweden)

    Maksym Seredyuk

    2010-05-01

    Full Text Available The title compound, {[Cu(C10H14N4Se2(H2O](BF42·2C18H15PO·H2O}n, has a polymeric structure where each CuII ion adopts a square-pyramidal coordination constituted by four N atoms of pyrazole moieties in the equatorial plane and an axial O atom of a water molecule. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl selenide ligands bridges the CuII centres into a chain extending along the c axis. The water molecules, anions and triphenylphosphine oxide molecules are involved in intermolecular hydrogen bonding, which links the chains into a three-dimensional network.

  4. Automated data processing of { 1H-decoupled} 13C MR spectra acquired from human brain in vivo

    Science.gov (United States)

    Shic, Frederick; Ross, Brian

    2003-06-01

    In clinical 13C infusion studies, broadband excitation of 200 ppm of the human brain yields 13C MR spectra with a time resolution of 2-5 min and generates up to 2000 metabolite peaks over 2 h. We describe a fast, automated, observer-independent technique for processing { 1H-decoupled} 13C spectra. Quantified 13C spectroscopic signals, before and after the administration of [1- 13C]glucose and/or [1- 13C]acetate in human subjects are determined. Stepwise improvements of data processing are illustrated by examples of normal and pathological results. Variation in analysis of individual 13C resonances ranged between 2 and 14%. Using this method it is possible to reliably identify subtle metabolic effects of brain disease including Alzheimer's disease and epilepsy.

  5. Diaquabis(4-carboxy-2-ethyl-1H-imidazole-5-carboxylato-κ2N3,O4cadmium dihydrate

    Directory of Open Access Journals (Sweden)

    Gang Zhang

    2011-07-01

    Full Text Available The asymmetric unit of the title compound, [Cd(C7H7N2O42(H2O2]·2H2O, consists of one CdII ion, one 4-carboxy-2-ethyl-1H-imidazole-5-carboxylate anion, one coordinated water molecule and one lattice water molecule. The CdII ion lies on a twofold axis, and is hexacoordinated by four O atoms from water molecules and carboxylate groups and two N atoms from two imidazole rings, in a distorted octahedral arrangement. An extensive framework of N—H...O and O—H...O hydrogen bonds with the participation of coordinated and free water molecules is found in the crystal structure, which contributes to the formation of a three-dimensional structure.

  6. Identification, synthesis and characterization of an unknown process related impurity in eslicarbazepine acetate active pharmaceutical ingredient by LC/ESI-IT/MS, 1H, 13C and 1H-1H COSY NMR

    Institute of Scientific and Technical Information of China (English)

    Saji Thomas; Saroj Kumar Paul; Subhash Chandra Joshi; Vineet Kumar; Ashutosh Agarwal; Dharam Vir

    2014-01-01

    A new impurity was detected during high performance liquid chromatographic (HPLC) analysis of eslicarbazepine acetate active pharmaceutical ingredient. The structure of unknown impurity was postulated based on liquid chromatography mass spectrometry using electrospray ionization and ion trap analyzer (LC/ESI-IT/MS) analysis. Proposed structure of impurity was unambiguously confirmed by synthesis followed by characterization using 1H, 13C nuclear magnetic resonance spectrometry (NMR), 1H-1H correlation spectro-scopy (COSY) and infrared spectroscopy (IR). Based on the spectroscopic and spectrometric data, unknown impurity was characterized as 5-carbamoyl-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl propionate.

  7. Collisional excitation of doubly and triply deuterated ammonia ND$_2$H and ND$_3$ by H$_2$

    CERN Document Server

    Daniel, F; Faure, A; Roueff, E; Gérin, M; Lis, D C; Hily-Blant, P; Bacmann, A; Wiesenfeld, L

    2016-01-01

    The availability of collisional rate coefficients is a prerequisite for an accurate interpretation of astrophysical observations, since the observed media often harbour densities where molecules are populated under non--LTE conditions. In the current study, we present calculations of rate coefficients suitable to describe the various spin isomers of multiply deuterated ammonia, namely the ND$_2$H and ND$_3$ isotopologues. These calculations are based on the most accurate NH$_3$--H$_2$ potential energy surface available, which has been modified to describe the geometrical changes induced by the nuclear substitutions. The dynamical calculations are performed within the close--coupling formalism and are carried out in order to provide rate coefficients up to a temperature of $T$ = 50K. For the various isotopologues/symmetries, we provide rate coefficients for the energy levels below $\\sim$ 100 cm$^{-1}$. Subsequently, these new rate coefficients are used in astrophysical models aimed at reproducing the NH$_2$D, ...

  8. The distribution of ND2H in LDN1689N

    CERN Document Server

    Gerin, M; Philipp, S; Güsten, R; Roueff, E; Reveret, V; Gerin, Maryvonne; Lis, Dariuscz C.; Philipp, Sabine; G\\"{u}sten, Rolf; Roueff, Evelyne; Reveret, Vincent

    2006-01-01

    Finding tracers of the innermost regions of prestellar cores is important for understanding their chemical and dynamical evolution before the onset of gravitational collapse. While classical molecular tracers, such as CO and CS, have been shown to be strongly depleted in cold, dense gas by condensation on grain mantles, it has been a subject of discussion to what extent nitrogen-bearing species, such as ammonia, are affected by this process. As deuterium fractionation is efficient in cold, dense gas, deuterated species are excellent tracers of prestellar cores. A comparison of the spatial distribution of neutral and ionized deuterated species with the dust continuum emission can thus provide important insights into the physical and chemical structure of such regions. We study the spatial distribution of the ground-state 335.5 GHz line of ND2H in LDN1689N, using APEX, and compare it with the distribution of the DCO+(3--2) line, as well as the 350 micron dust continuum emission observed with the SHARC~II bolome...

  9. In vivo portal-hepatic venous gradients of glycogenic precursors and incorporation of D-(3- sup 3 H)glucose into liver glycogen in the awake rat

    Energy Technology Data Exchange (ETDEWEB)

    Dobson, G.P.; Veech, R.L.; Passonneau, J.V.; Huang, M.T. (National Institute on Alcohol Abuse and Alcoholism, Rockville, MD (USA))

    1990-09-25

    Male Wistar fed rats were chronically cannulated and fed ground chow for 2 h for 6 days. On the 7th post-operative day, blood was simultaneously drawn from the portal and hepatic veins over a 2-h feeding period. The position of the hepatic vein cannula was verified using a tritiated water washout technique. In separate experiments, 200 microCi of (3-3H)glucose was added to the food in order to determine the contribution of D-glucose and 3-C precursors to newly synthesized glycogen. The 22-h fasting plasma portal vein concentrations of D-glucose, L-lactate, and L-alanine were 4.8 +/- 0.03, 0.81 +/- 0.06, and 0.20 +/- 0.03 mM, respectively (n = 5). The fasting hepatic vein plasma concentrations were 5.1 +/- 0.2, 0.70 +/- 0.15 and 0.19 +/- 0.03 mM, respectively. The portal-hepatic vein gradients after 22 h were -0.24, +0.16, and +0.01 mM for D-glucose, L-lactate, and L-alanine, respectively. At 20 min after beginning the meal, the respective gradients were +2.2, +0.53, and +0.44 mM, indicating hepatic uptake of all glycogen precursors. Of the total carbon from the three major precursors entering the liver as C-6, D-glucose contributed 82%, while alanine and lactate contributed 18% at 20 min. As portal vein D-glucose and L-alanine levels exceeded 6.65 +/- 0.69 and 0.32 +/- 0.07 mM, respectively, the portal-hepatic venous gradient became positive and increased linearly with portal concentrations. The glycogen concentration in the liver increased from a 22-h fast value of 5 mumol of glucosyl units/g wet weight to 101 +/- 7 mumol/g 2 h after the meal. The mean specific activity of portal vein plasma of (3-3H)glucose was 11,490 +/- 1,180 dpm/mumol (+/- S.E.) and that in the glycogen isolated from liver was 8,175 +/- 785 dpm/mumol of glycosyl units 2 h after the meal. The specific activity of liver (3H)glycogen relative to glucose after the meal was 0.73 +/- 0.08.

  10. Dopamine D2 receptor radiotracers [{sup 11}C](+)-PHNO and [{sup 3}H]raclopride are indistinguishably inhibited by D2 agonists and antagonists ex vivo

    Energy Technology Data Exchange (ETDEWEB)

    McCormick, Patrick N. [Institute of Medical Science, University of Toronto, Toronto, Ontario, M5S 1A8 (Canada)], E-mail: patrick.mccormick@camhpet.ca; Kapur, Shitij [Department of Psychiatry, University of Toronto, Toronto, Ontario, M5S 1A8 (Canada); PET Center, Center for Addiction and Mental Health, Toronto, Ontario, M5T 1R8 (Canada); Seeman, Philip [Department of Psychiatry, University of Toronto, Toronto, Ontario, M5S 1A8 (Canada); Department of Pharmacology, University of Toronto, Toronto, Ontario, M5S 1A8 (Canada); Wilson, Alan A. [Department of Psychiatry, University of Toronto, Toronto, Ontario, M5S 1A8 (Canada); PET Center, Center for Addiction and Mental Health, Toronto, Ontario, M5T 1R8 (Canada)

    2008-01-15

    Introduction: In vitro, the dopamine D2 receptor exists in two states, with high and low affinity for agonists. The high-affinity state is the physiologically active state thought to be involved in dopaminergic illnesses such as schizophrenia. The positron emission tomography radiotracer [{sup 11}C](+)-PHNO ([{sup 11}C](+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4] oxazin-9-o l), being a D2 agonist, should selectively label the high-affinity state at tracer dose and therefore be more susceptible to competition by agonist as compared to the antagonist [{sup 3}H]raclopride, which binds to both affinity states. Methods: We tested this prediction using ex vivo dual-radiotracer experiments in conscious rats. D2 antagonists (haloperidol or clozapine), a partial agonist (aripiprazole), a full agonist [(-)-NPA] or the dopamine-releasing drug amphetamine (AMPH) were administered to rats prior to an intravenous coinjection of [{sup 11}C](+)-PHNO and [{sup 3}H]raclopride. Rats were sacrificed 60 min after radiotracer injection. Striatum, cerebellum and plasma samples were counted for {sup 11}C and {sup 3}H. The specific binding ratio {l_brace}SBR, i.e., [%ID/g (striatum)-%ID/g (cerebellum)]/(%ID/g (cerebellum){r_brace} was used as the outcome measure. Results: In response to D2 antagonists, partial agonist or full agonist, [{sup 11}C](+)-PHNO and [{sup 3}H]raclopride SBRs responded indistinguishably in terms of both ED{sub 50} and Hill slope (e.g., (-)-NPA ED{sub 50} values are 0.027 and 0.023 mg/kg for [{sup 11}C](+)-PHNO and [{sup 3}H]raclopride, respectively). In response to AMPH challenge, [{sup 11}C](+)-PHNO and [{sup 3}H]raclopride SBRs were inhibited to the same degree. Conclusions: We have shown that the SBRs of [{sup 11}C](+)-PHNO- and [{sup 3}H]raclopride do not differ in their response to agonist challenge. These results do not support predictions of the in vivo binding behavior of a D2 agonist radiotracer and cast some doubt on the in vivo

  11. Radiotracer studies on the formation of 2,5-dimethyl-4-hydroxy-3(2H)-furanone in detached ripening strawberry fruits

    International Nuclear Information System (INIS)

    The transformation of 12 radioactively labeled compounds into 2,5-dimethyl-4-hydroxy-3(2H)-furanone (DMHF), glycosidically bound DMHF, and 2,5-dimethyl-4-methoxy-3(2H)-furanone (DMMF) was investigated in detached ripening strawberry fruits (Fragaria x ananassa) over a 3-day period. Radiochemical analysis of the different fruit parts revealed that major portions of the applied radioactivity (up to 66%) remained in the stems and calyx. Incorporation levels of [2-14C]-dihydroxyacetone, D-[1-3H]glucose, D-[U-14C]-glucose, D-[U-14C]glucose 6-phosphate, D-[U-14C]fructose, and D-[U-14C]fructose 1,6-bisphosphate into the total amount of furanone derivatives were 0.022, 0.032, 0.035, 0.147, 0.202, and 0.289% of the radioactivity entering the fruits, respectively. Minor amounts of radioactivity (0.001%) were detected in the furanone structures after the administration of [1-14C]acetate and [3-14C]pyruvate. L-[1-14C]Fucose, L-[6-3H]fucose, L-[1-3H]rhamnose, L-[U-14C]-threonine, L-[U-14C]lactaldehyde, and [2-14C]malonic acid were not transformed into DMHF or a derivative thereof. (author)

  12. Ground state structures and properties of Si3H ( = 1–6) clusters

    Indian Academy of Sciences (India)

    D Balamurugan; R Prasad

    2003-01-01

    The ground state structures and properties of Si3H (1 ≤ ≤ 6) clusters have been calculated using Car–Parrinello molecular dynamics with simulated annealing and steepest descent optimization methods. We have studied cohesive energy per particle and first excited electronic level gap of the clusters as a function of hydrogenation. Hydrogenation is done till all dangling bonds of silicon are saturated. Our results show that over coordination of hydrogen is favoured in Si3H clusters and the geometry of Si3 cluster does not change due to hydrogenation. Cohesive energy per particle and first excited electronic level gap study of the clusters show that Si3H6 cluster is most stable and Si3H3 cluster is most unstable among the clusters considered here.

  13. Microwave activated synthesis of 2-aryl-quinazolin-4(3H)ones

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A highly efficient synthesis of 2-aryl-quinazolin-4(3H)ones was performed by one-pot oxidative heterocyclization of 2-aminobenzamide with aldehydes in the presence of potassium permanganate in dimethylacetamide under microwave irradiation.

  14. Structural Characteristics of Homogeneous Hydrophobic Ionic Liquid-HNO3-H2O Ternary System: Experimental Studies and Molecular Dynamics Simulations.

    Science.gov (United States)

    Fu, Jing; Yang, Y Isaac; Zhang, Jun; Chen, Qingde; Shen, Xinghai; Gao, Yi Qin

    2016-06-16

    The solubility of water in the hydrophobic ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][NTf2]) increases significantly in the presence of HNO3. [C2mim][NTf2] is completely miscible with HNO3 but immiscible with water. The triangular phase diagram of the ternary system [C2mim][NTf2]-HNO3-H2O was determined at 300.1 K. The homogeneous [C2mim][NTf2]-HNO3-H2O phase is thermodynamically stable, while it can be separated into two phases with an increase of water content. Experiments (electrospray ionization mass spectrometry, Fourier transform infrared spectrometry, and (1)H-nuclear magnetic resonance spectrometry) and molecular dynamics simulations were carried out to investigate the interaction between [C2mim][NTf2], HNO3, and water in the homogeneous phase. It was found that NO3(-) ions interact with both C2mim(+) and water via H-bonding and act as a "bridge" to induce a large amount of water to be dissolved in the hydrophobic IL phase. This confirms that the complexes [C2mim-NTf2-C2mim](+) and [NTf2-C2mim-NTf2](-) exist in the homogeneous [C2mim][NTf2]-HNO3-H2O system at the concentration of HNO3 up to 27.01 wt % and of water as high as 20.74 wt %. PMID:27196811

  15. Studies of the uptake and release of [3H]β-alanine by frog spinal slices

    International Nuclear Information System (INIS)

    [3H]β-alanine was accumulated by frog spinal cord slices by two transport components with estimated Ksub(m) values of μM ('high-affinity') and 11 mM ('low affinity') respectively. The high affinity uptake exhibited sodium ion and energy dependence, temperature sensitivity, had a very low Vsub(max) (10.4 nmol/g/min) compared to GABA and glycine, was competitively inhibited by GABA (Ksub(i) 2μM), and was significantly reduced by the presence of glycine and of taurine in the incubating medium. When slices preloaded with [3H]β-alanine were superfused with medium containing depolarizing concentrations of potassium ions, there was a small, but consistent, increase in [3H]β-alanine efflux: 1.4 times prestimulation rates in 40 mM potassium. When the superfusate was altered by omission of calcium and addition of concentrations of magnesium (10 mM), manganese (1 mM), and cobalt (1 mM) ions sufficient to block reflex transmission in the isolated in vitro frog cord, the potassium-evoked release was not blocked. Release was decreased by lanthanum ions (1 mM). Release of [3H]GABA and [3H]glycine in parallel experiments was inhibited by magnesium, manganese, cobalt and lanthanum. Veratridine significantly increased the release of [3H]GABA and [3H]glycine but not of [3H]β-alanine. These observations demonstrate the non-specificity of β-alanine uptake and the unconventional nature of the calcium-dependence of β-alanine release and therefore do not lend support to the hypothesis that β-alanine functions as a neurotransmitter in frog spinal cord. (author)

  16. Efficient synthesis of 4(3H)-quinazolinones using a soluble polymeric support

    Institute of Scientific and Technical Information of China (English)

    Chang Xie; Hong Xia Li; Ming Guo Liu; Ming Wu Ding

    2008-01-01

    4(3H)-Quinazolinones have been synthesized from poly(ethylene glycol) (PEG) supported aza-Wittig reaction. 2-Dialkylamino-4(3H)-quinazolinones 6 were synthesized efficiently by reaction of secondary amine with PEG-supported carbodiimides 4, whichwere obtained from aza-Wittig reaction of PEG-supported iminophosphoranes 3 with isocyanates.?2008 Ming Wu Ding. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  17. Artifactual high-affinity and saturable binding of (3H)5-hydroxytryptamine induced by radioligand oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Peroutka, S.J.; Ison, P.J.; Liu, D.U.; Barrett, R.W.

    1986-07-01

    The binding of (3H)5-hydroxytryptamine (5-HT, serotonin) to cerebellar membranes was examined after preincubation of (/sup 3/H)5-HT in the presence or absence of ascorbate. The tissue preparation was identical in all experiments and consisted of rat cerebellar homogenates in Tris-HCl buffer with 0.1% ascorbate. Cerebellar membranes were used because of their low density of 5-HT1 binding sites. In the presence of ascorbate during a 4-h preincubation period, minimal specific binding of 2 nM (/sup 3/H)5-HT is detected. Similar results are obtained with equimolar concentrations of other antioxidants (butylated hydroxytoluene, sodium dithionite, and sodium metabisulfite). Apparent specific binding increases 14-fold following a 4-h preincubation of (/sup 3/H)5-HT in the absence of ascorbate. The increase in apparent specific (/sup 3/H)5-HT binding is time-dependent and plateaus after 4-6 h of preincubation. When ascorbate is present during the 4-h preincubation, Scatchard analysis of (/sup 3/H)5-HT binding reveals a KD value of 3.0 +/- 0.3 nM and a Bmax value of 1.9 +/- 0.2 pmol/g tissue. When ascorbate is absent during the preincubation, the KD is essentially unchanged at 3.6 +/- 0.1 nM but the Bmax is significantly increased to 36.5 +/- 7 pmol/g tissue. Drug competition studies reveal that the apparent specific (/sup 3/H)5-HT binding in the absence of ascorbate appears to be displaced by nanomolar concentrations of hydroxylated tryptamines (5-HT, bufotenine) but not by nonhydroxylated tryptamines (5-methoxytryptamine, tryptamine). HPLC analysis demonstrates that (3H)5-HT is essentially destroyed by a 4-h incubation at 22/sup 0/C in the absence of ascorbate.

  18. Radiosynthesis of a chloroacetanilide herbicide ([phenyl-4-3 H] acetochlor) and a dichloroacetamide safener for herbicides [2,2-dimethyl-3 H]R-29148

    International Nuclear Information System (INIS)

    2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl) acetamide (the chloroacetanilide herbicide acetochlor) and 3-(dichloroacetyl)-2,2,5-trimethyl-1, 3-oxazolidine (the dichloroacetamide safener R-29148) are required at high specific activity for studies on their metabolism and mode of action. [phenyl-4-3H]Acetochlor was obtained at 22 Ci/mmol in 71% yield by reductive dehalogenation of iodoacetochlor with tritium gas in ethanol in the presence of palladium on carbon and triethylamine. [2,2-dimethyl-3H]R-29148 was prepared at 15 Ci/mmol by treating acetone and 1-amino-2-propanol in pentane with two equivalents of NaOH in tritiated water (i.e. hydroxide ion-catalyzed enolization of acetone) followed by dichloroacetyl chloride. (Author)

  19. Morphological and biochemical studies of canine progressive rod-cone degeneration. 3H-fucose autoradiography

    International Nuclear Information System (INIS)

    Visual cell pathology and rod outer segment renewal were investigated in normal and PRCD-affected miniature poodles using 3H-fucose autoradiography. Twenty-four hours following the intravitreal injection of 3H-fucose, label accumulated diffusely over cone OS and in a banded pattern at the rod OS base. In normal rods, the band of 3H-label was displaced sclerad with time. PRCD-affected rods in the early stages of the disease (stages 0-1) also showed a similar 3H-label pattern but a significantly (P less than 0.001) reduced renewal rate (control = 2.35 +/- 0.43 mu/24 hr; affected = 0.99 +/- mu/24 hr). This abnormal renewal rate was present in central, equatorial, and peripheral visual cells and was not associated with the presence or density of pigment in the RPE cell layer. Biochemical studies indicated that the 3H-label was present as an integral membrane component in the rod OS and confirmed that canine rhodopsin is a fucosylated glycoprotein. The 3H-band in the rod OS layer disappeared in stage 2 of the disease; diffuse label now was present over rod OS that had decreased length and were reduced in number. At this stage of the disease, interphotoreceptor space was invaded by phagocytic cells, and photoreceptor nuclei were lost from the outer nuclear layer. These late degenerative changes were more extensive in the superior and inferior retinal meridians

  20. Autoradiographic localization of specific [3H]dexamethasone binding in fetal lung

    International Nuclear Information System (INIS)

    The cellular and subcellular localization of specific [3H]dexamethasone binding was examined in fetal mouse lung at various stages of development and in human fetal lung at 8 weeks of gestation using a rapid in vitro steroid incubation technique followed by thaw-mount autoradiography. Competition studies with unlabeled steroids demonstrate the specificity of [3H]dexamethasone labeling, and indicate that fetal lung mesenchyme is a primary glucocorticoid target during lung development. Autoradiographs of [3H]dexamethasone binding in lung tissue at early stages of development demonstrate that the mesenchyme directly adjacent to the more proximal portions of the bronchiolar network is heavily labeled. In contrast, the epithelium which will later differentiate into bronchi and bronchioles, is relatively unlabeled. Distal portions of the growing epithelium, destined to become alveolar ducts and alveoli, do show nuclear localization of [3H]dexamethasone. In addition, by utilizing a technique which allows the simultaneous examination of extracellular matrix components and [3H]dexamethasone binding, a relationship is observed between extensive mesenchymal [3H]dexamethasone binding and extensive extracellular matrix accumulation. Since glucocorticoids stimulate the synthesis of many extracellular matrix components, these results suggest a role for these hormones in affecting mesenchymal-epithelial interactions during lung morphogenesis

  1. Evaluation of sup 3 H-paroxetine as a radiopharmaceutical for lung function

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, Kenji; Goromaru, Tsuyoshi (Fukuyama Univ., Hiroshima (Japan). Faculty of Pharmacy and Pharmaceutical Sciences)

    1989-07-01

    The potential of {sup 3}H-paroxetine as a radiotracer for in vivo study of the function in mouse lung was examined. The high accumulation of radioactivity in the mouse lung was observed after intravenous administration of {sup 3}H-paroxetine. However, the distributions of radioactivity in the mouse lung were not significantly decreased by treatment with paroxetine or other monoamine uptake inhibitors (6-nitroquipazine, desipramine and GBR 12909). It was found that the radioactivity in the mouse lung at 1 hr after intravenous administration of {sup 3}H-paroxetine was due to unmetabolized {sup 3}H-paroxetine from TLC and HPLC analyses. Furthermore, {sup 3}H-paroxetine exhibits both saturable and high affinity binding sites in mouse lung with a maximal number of binding sites (B{sub max}) of 303 fmoles/mg protein and a dissociation constant (K{sub d}) of 92.2 pM. These results suggest that {sup 3}H-paroxetine would be a suitable radiopharmaceutical for in vivo study of the function of lung as a metabolic organ of serotonin.

  2. Synthesis and Crystal Structure of Methyl 3-(5-Bromo-1-ethyl-1H-indole-3-carbonyl)aminopropionate

    Institute of Scientific and Technical Information of China (English)

    LI Kai-Ping; ZHENG Le; ZENG Xiang-Chao; HU Fang

    2011-01-01

    Methyl 3-(5-bromo-1-ethyl-1H-indole-3-carbonyl)aminopropionate has been syn-thesized by the acylation of 5-bromo-3-trichloroacetylindole with β-alanine methyl ester, followed by alkylation with ethyl iodide, in 82.6% yield. Its crystal structure was gotten and determined by Ⅹ-ray diffraction method. The crystal is of monoclinic, space group P2/c with a = 11.7927(8), b =14.9342(8), c=9.0060(5) A, β= 101.558(6)°, V= 1553.93(16) A,Z=4, Dc=1.510 g/cm,λ=0.71073 A,μ(MoKa) = 2.656 mm, Mr = 353.22 and F(000) = 720. The structure was refined to R =0.0401 and wR = 0.0825 for 1704 observed reflections with Ⅰ > 20(Ⅰ). In the crystal structure,intermolecular N(2)-H(2)…O(1) hydrogen bond and weak intermolecular bonds (C(1)-H(1)…O(1)and C(10)-H(10B)…O(2)) are formed, and π-π stacking also exists.

  3. Structure, DNA Binding Studies and Cytotoxicity of Complex [Pd(phen)(L-asp)]·3H2O

    Institute of Scientific and Technical Information of China (English)

    GAO Enjun; LIU Lei; SHI Chunyue; YIN Hongxi; ZHU Mingchang; WU Qiong; LIU Qitao

    2009-01-01

    The pal ladium(Ⅱ) complex of [Pd(phen)(L-asp)].3H2O (phen= 1,10-phenanthroline, H2L-asp=L-aspartic acid) has been synthesized from a solution reaction and analyzed by elemental analyses, 1H NMR and IR spectra. More-over, the complex has been structurally characterized by single-crystal X-ray diffractometry. The cytotoxicity assay of the complex and cis-DDP as reference substance against three different cancer cell lines (Hela, Hep-G2 and KB)has been conducted. The results show that the Pd complex exhibits higher cytotoxicity against Hela system. The study on the interaction of the Pd complex with fish sperm DNA (FS-DNA) has been performed with diverse spec-troscopic techniques, showing that the complex is bound to the fish sperm DNA via an intercalative mode. Gel elec-trophoresis assay demonstrates the ability of the complex to cleave the pBR 322 plasmid DNA.

  4. Synthesis, Characterization and Crystal Structure of Some Novel 1-(3,5-Dimethyl-1 H-pyrazol-l-yl)-3-(substituted anilino)propan-l-ones

    Institute of Scientific and Technical Information of China (English)

    SAEED Aamer; HUSSAIN Shahid; ABBAS Naeem; BOLTE Michael

    2009-01-01

    Michael addition of some substituted anilines to methyl acrylate in acidic medium afforded the methyl 3-(substituted anilino)propionates (1a-1i), which on treatment with hydrazine hydrate in methanol were converted into corresponding 3-(substituted anilino) propionohydrazides (2a-2i) in good yields. Microwave irradiation of the latter with pentane-2,4-dione afforded 1-(3,5-dimethyl- 1H-pyrazol-1-y1)-3-(substituted anilino)propan- 1-ones (3a-3i) under solventless conditions. The structures were confirmed by spectroscopic data, elemental analyses and in case of the 3h by single crystal X-ray diffraction data.

  5. 6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl(4-nitrophenylmethyl]-1,3-dimethylpyrimidine-2,4(1H,3H-dione

    Directory of Open Access Journals (Sweden)

    N. Sureshbabu

    2013-11-01

    Full Text Available In the title compound, C21H23N3O7, the pyrimidinedione ring adopts a screw-boat conformation, whereas the cyclohexenone ring adopts an envelope conformation, with the C atom bearing the methyl groups as the flap atom. The dihedral angle between the mean planes of the pyrimidinedione and cyclohexenone rings is 58.78 (2°. The pyrimidinedione and cyclohexenone rings form dihedral angles of 59.94 (3 and 54.73 (2°, respectively, with the 4-nitrophenyl ring. Relatively strong intramolecular O—H...O hydrogen bonds are observed. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a chain along the c-axis direction.

  6. Crystal structure of 5-chloro-1,3-bis-[2-(2-oxo-1,3-oxazolidin-3-yl)eth-yl]-1H-benz-imidazol-2(3H)-one.

    Science.gov (United States)

    Bouayad, Kaoutar; Kandri Rodi, Youssef; Ouzidan, Youness; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen

    2015-10-01

    In the title compound, C17H19ClN4O5, the benzimidazole fused-ring system is essentially planar, the maximum deviation from the mean plane being 0.06 (1) Å. Both oxazolidine rings are nearly planar, the maximum deviations from the mean planes are 0.071 (13) and 0.070 (10) Å. The dihedral angle between the mean planes of the oxazolidine rings is 69.9 (7)°. The benzimidazole mean plane makes the dihedral angles of 43.9 (6) and 45.6 (6)° with the two oxazolidine rings. In the crystal, the mol-ecules are linked together by weak C-H⋯O hydrogen bonds building zigzag tapes running along the c axis. The Cl atom is split over two positions with an occupancy ratio of 0.567 (7):0.433 (7). This means that the reaction yields two isomers, A and B; the A component has the Cl-atom substituent in the 5-position of the benzimidazolone ring and the B component has the Cl atom in the 6-position. The two isomers form the disordered co-crystal, with a nearly half Cl atom in each of them, as indicated by the occupancy ratio. The crystal structure was refined as an inversion twin. PMID:26594449

  7. Mechanistic aspects of ligand substitution on [(H2O)(tap)2RuORu(tap)2(H2O)]2+ {tap=2-(m-tolylazo)pyridine} ion by three glycine-containing dipeptides in aqueous medium at physiological pH

    Indian Academy of Sciences (India)

    Arup Mandal; Subala Mondal; Parnajyoti Karmakar; Biplab K Bera; Subhasis Mallick; Alak K Ghosh

    2012-05-01

    The interaction of the title complex with selected glycine-containing dipeptides(L-L'H) such as glycyl-glycine(L-L1H), glycyl-L-alanine (L-L2H) and glycyl-L-leucine(L-L3H) has been studied spectrophotometrically in aqueous medium as a function of [substrate complex], [ligand] and temperature. The reaction has been monitored at 600 nm where the spectral difference between the reactant and product is a maximum. At pH 7.4, the interaction with studied dipeptides shows two parallel steps. i.e., it shows a non-linear dependence on the concentration of dipeptides; both processes are ligand-dependent. The rate constants for the processes are: k1 ∼ 10−3 s-1 and k2 ∼ 10−5 s-1. The activation parameters were calculated from Eyring plots. Based on the kinetic and activation parameters an associative interchange mechanism is proposed for the interaction processes. From the temperature dependence of the outer sphere association equilibrium constant, the thermodynamic parameters were also calculated. The product of the reaction has been characterized by IR and ESI-mass spectroscopic analysis.

  8. Efficient synthesis and in vitro antifungal activity of 1H-benzimidazol-1-yl acetates/propionates containing 1H-1,2,4-triazole moiety

    Institute of Scientific and Technical Information of China (English)

    Pei Zhi Zhang; Shao Fang Zhou; Tian Ren Li; Lin Jiang

    2012-01-01

    A series of novel 1H-benzimidazol-1-yl acetates and 1H-benzimidazol-1-yl propionates containing 1H-1,2,4-triazole moiety were synthesized under microwave irradiation by multi-step reactions,in yields of 87-94%.Their in vitro antifungal activities against Botrytis cinerea and Sclerotinia sclerotiorum were evaluated by mycelial growth rate method.All the target compounds exhibit high activities against B.cinerea with the EC50 values of 7.96-21.74 μg/mL,higher than that of carbendazim.

  9. Depletion of (/sup 3/H)methyltrienolone cytosol binding in glucocorticoid-induced muscle atrophy (42001)

    Energy Technology Data Exchange (ETDEWEB)

    Kurowski, T.T.; Capaccio, J.A.; Chatterton, R.T. Jr.; Hickson, R.C.

    1985-01-01

    The present study was undertaken to determine cytosol binding properties of (/sup 3/H)methyltrienolone, a synthetic androgen, in comparison with (/sup 3/)dexamethasone, a synthetic glucocorticoid, under conditions of glucocorticoid excess in skeletal muscle. Male hypophysectomized rats received either seven daily subcutaneous injections of cortisone acetate (CA) (100 mg x kg/sup -1/ body wt) or the vehicle, 1% carboxymethyl cellulose. Following treatment, both (/sup 3/H)dexamethansone and (/sup 3/H)methyltrienolone-receptor concentrations were decreased from those in vehicle-treated rats by more than 90 and 80%, respectively, in CA-treated animals. Scatchard analysis of (/sup 3/H)methyltrienolone binding in muscles of vehicle-treated animals became nonlinear at high concentrations of labeled ligand and were reanalyzed by a two-component binding model. The lower affinity, higher capacity component, which was attributed to binding of methyltrienolone to a dexamethasone component, which was attributed to binding of methyltrienolone to a dexamethasone component, disappeared in muscles of CA-treated rats and Scatchard plots were linear. Receptor concentrations of the higher affinity lower capacity methyltrienolone component were similar in muscles of vehicle-treated and CA-treated groups. From competition studies, the high relative specificities of glucocorticoids for (/sup 3/H)methyltrienolone binding in muscles of vehicle-treated animals were markedly reduced by CA treatment. In addition, the binding specificity data also showed strong competition by progesterone and methyltrienolone for (/sup 3/H)dexamethasone binding and estradiol-17..beta.. for (/sup 3/H)methyltrienolone binding.

  10. Photodegradation of amoxicillin by catalyzed Fe3+/H2O2 process

    Institute of Scientific and Technical Information of China (English)

    Xiaoming Li; Tingting Shen; Dongbo Wang; Xiu Yue; Xian Liu; Qi Yang; Jianbin Cao; Wei Zheng; Guangming Zeng

    2012-01-01

    Three oxidation processes of UV-Fe3+(EDTA)/H2O2 (UV:ultraviolet light; EDTA:ethylenediaminetetraacetic acid),UV-Fe3+/H2O2 and Fe3+/H2O2 were simultaneously investigated for the degradation of amoxicillin at pH 7.0.The results indicated that,100% amoxicillin degradation and 81.9% chemical oxygen demand (CODcr) removal could be achieved in the UV-Fe3+ (EDTA)/H2O2 process.The treatment efficiency of amoxicillin and CODcr removal were found to decrease to 59.0% and 43.0% in the UV-Fe3+/H2O2 process;39.6% and 31.3% in the Fe3+/H2O2 process.Moreover,the results of biodegradability (biological oxygen demand (BOD5)/CODCr ratio) revealed that the UV-Fe3+ (EDTA)/H2O2 process was a promising strategy to degrade amoxicillin as the biodegradability of the effluent was improved to 0.45,compared with the cases of UV-Fe3+/H2O2 (0.25) and Fe3+/H2O2 (0.10) processes.Therefore,it could be deduced that EDTA and UV light performed synergetic catalytic effect on the Fe3+/H2O2 process,enhancing the treatment efficiency.The degradation mechanisms were also investigated via UV-Vis spectra,and high performance liquid chromatography-mass spectra.The degradation pathway of amoxicillin was further proposed.

  11. Ascorbic acid enables reversible dopamine receptor /sup 3/H-agonist binding

    Energy Technology Data Exchange (ETDEWEB)

    Leff, S.; Sibley, D.R.; Hamblin, M.; Creese, I.

    1981-11-16

    The effects of ascorbic acid on dopaminergic /sup 3/H-agonist receptor binding were studied in membrane homogenates of bovine anterior pituitary and caudate, and rat striatum. In all tissues virtually no stereospecific binding (defined using 1uM (+)butaclamol) of the /sup 3/H-agonists N-propylnorapomorphine (NPA), apomorphine, or dopamine could be demonstrated in the absence of ascorbic acid. Although levels of total /sup 3/H-agonist binding were three to five times greater in the absence than in the presence of 0.1% ascorbic acid, the increased binding was entirely non-stereospecific. Greater amounts of dopamine-inhibitable /sup 3/H-NPA binding could be demonstrated in the absence of 0.1% ascorbic acid, but this measure of ''specific binding'' was demonstrated not to represent dopamine receptor binding since several other catecholamines and catechol were equipotent with dopamine and more potent than the dopamine agonist (+/-)amino-6,7-dihydroxy-1,2,3,4-tetrahydronapthalene (ADTN) in inhibiting this binding. High levels of dopamine-displaceable /sup 3/H-agonist binding were detected in fresh and boiled homogenates of cerebellum, an area of brain which receives no dopaminergic innervation, further demonstrating the non-specific nature of /sup 3/H-agonist binding in the absence of ascorbic acid. These studies emphasize that under typical assay conditions ascorbic acid is required in order to demonstrate reversible and specific /sup 3/H-agonist binding to dopamine receptors.

  12. Characterization and regulation of [3H]-serotonin uptake and release in rodent spinal

    International Nuclear Information System (INIS)

    The uptake and release of [3H]-serotonin were investigated in rat spinal cord synaptosomes. In the uptake experiments, sodium-dependent and sodium-independent [3H]-serotonin accumulation processes were found. Sodium-dependent [3H]-serotonin accumulation was: linear with sodium concentrations up to 180 mM; decreased by disruption of membrane integrity or ionic gradients; associated with purified synaptosomal fractions; and reduced after description of descending serotonergic neurons in the spinal cord. Of the uptake inhibitors tested, the most potent was fluoxetine (IC50 75 nM), followed by desipramine (IC50 430 nM) and nomifensine (IC50 950 nM). The sodium-independent [3H]-serotonin accumulation process was insensitive to most treatments and probably represents nonspecific membrane binding. Thus, only sodium-dependent [3H]-serotonin uptake represents the uptake process of serotonergic nerve terminals in rat spinal cord homogenates. In the release experiments, K+-induced release of previously accumulated [3H]-serotonin was Ca2+-dependent, and originated from serotonergic synaptosomes. Exogenous serotonin and 5-methyoxy-N,N-dimethyltryptamine inhibited [3H]-serotonin release in a concentration-dependent way. Of the antagonists tested, only methiothepin effectively blocked the effect of serotonin. These data support the existence of presynaptic serotonin autoreceptors on serotonergic nerve terminals in the rat spinal cord that act to inhibit a voltage and Ca2+-sensitive process linked to serotonin release. Alteration of spinai cord serotonergic function may therefore be possible by drugs acting on presynaptic serotonin autoreceptors in the spinal cord

  13. Characterization and regulation of (/sup 3/H)-serotonin uptake and release in rodent spinal

    Energy Technology Data Exchange (ETDEWEB)

    Stauderman, K.A.

    1986-01-01

    The uptake and release of (/sup 3/H)-serotonin were investigated in rat spinal cord synaptosomes. In the uptake experiments, sodium-dependent and sodium-independent (/sup 3/H)-serotonin accumulation processes were found. Sodium-dependent (/sup 3/H)-serotonin accumulation was: linear with sodium concentrations up to 180 mM; decreased by disruption of membrane integrity or ionic gradients; associated with purified synaptosomal fractions; and reduced after description of descending serotonergic neurons in the spinal cord. Of the uptake inhibitors tested, the most potent was fluoxetine (IC/sub 50/ 75 nM), followed by desipramine (IC/sub 50/ 430 nM) and nomifensine (IC/sub 50/ 950 nM). The sodium-independent (/sup 3/H)-serotonin accumulation process was insensitive to most treatments and probably represents nonspecific membrane binding. Thus, only sodium-dependent (/sup 3/H)-serotonin uptake represents the uptake process of serotonergic nerve terminals in rat spinal cord homogenates. In the release experiments, K/sup +/-induced release of previously accumulated (/sup 3/H)-serotonin was Ca/sup 2 +/-dependent, and originated from serotonergic synaptosomes. Exogenous serotonin and 5-methyoxy-N,N-dimethyltryptamine inhibited (/sup 3/H)-serotonin release in a concentration-dependent way. Of the antagonists tested, only methiothepin effectively blocked the effect of serotonin. These data support the existence of presynaptic serotonin autoreceptors on serotonergic nerve terminals in the rat spinal cord that act to inhibit a voltage and Ca/sup 2 +/-sensitive process linked to serotonin release. Alteration of spinai cord serotonergic function may therefore be possible by drugs acting on presynaptic serotonin autoreceptors in the spinal cord.

  14. Characterization of (/sup 3/H)paroxetine binding in rat brain

    Energy Technology Data Exchange (ETDEWEB)

    Marcusson, J.O.; Bergstroem, M.E.; Eriksson, K.; Ross, S.B.

    1988-06-01

    The binding of the 5-hydroxytryptamine (5-HT, serotonin) uptake inhibitor (3H)paroxetine to rat cortical homogenates has been characterized. The effect of tissue concentration was examined and, with 0.75 mg wet weight tissue/ml in a total volume of 1,600 microliter, the binding was optimized with an apparent dissociation constant (KD) of 0.03-0.05 nM. Competition experiments with 5-HT, citalopram, norzimeldine, and desipramine revealed a high (90%) proportion of displaceable binding that fitted a single-site binding model. Fluoxetine and imipramine revealed, in addition to a high-affinity (nanomolar) site, also a low-affinity (micromolar) site representing approximately 10% of the displaceable binding. The specificity of the (3H)paroxetine binding was emphasized by the fact that 5-HT was the only active neurotransmitter bound and that the serotonin S1 and S2 antagonist methysergide was without effect on the binding. Both 5-HT- and fluoxetine-sensitive (3H)paroxetine binding was completely abolished after protease treatment, suggesting that the binding site is of protein nature. Saturation studies with 5-HT (100 microM) sensitive (3H)paroxetine binding were also consistent with a single-site binding model, and the binding was competitively inhibited by 5-HT and imipramine. The number of binding sites (Bmax) for 5-HT-sensitive (3H)paroxetine and (3H)imipramine binding was the same, indicating that the radioligands bind to the same sites. Lesion experiments with p-chloroamphetamine resulted in a binding in frontal and parietal cortices becoming undetectable and a greater than 60% reduction in the striatum and hypothalamus, indicating a selective localization on 5-HT terminals. Together these findings suggest that (3H)paroxetine specifically and selectively labels the substrate recognition site for 5-HT uptake in rat brain.

  15. Bonding in Zintl phase hydrides: density functional calculations for SrAlSiH, SrAl2H2, SrGa2H2 and BaGa2H2

    Energy Technology Data Exchange (ETDEWEB)

    Subedi, Alaska P [ORNL; Singh, David J [ORNL

    2008-01-01

    We investigate the bonding characteristics of SrAlSiH, SrAl{sub 2}H{sub 2}, SrGa{sub 2}H{sub 2}, and BaGa{sub 2}H{sub 2} using density functional calculations. The mixed bonding characteristic of other families of Zintl phases is found, with the formation of covalent sp{sup 2} bonds in the Al/Ga/Al-Si planes of the various compounds. On the other hand the Sr and Ba atoms occur as divalent cations, while the H is anionic. The results indicate that insulating SrSiAlH may be a switchable ferroelectric.

  16. A study of the ground states of CaC2H+2,CaC2D+2 and CaC2H+4

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The geometries, vibrational frequencies and bind energies are reported for the ground states of CaC2H+2, CaC2D+2 and CaC2H+4. CaC2H+2 and CaC2H+4 equilibrium geometries have C2v symmetry with the metal ion lying in the perpendicular bisector of the C-C bond. The ground state in both CaC2H+2 and CaC2H+4 molecules ia a 2A1 state and the binding in the ground state is mainly electrostatic. For both CaC2H+2 and CaC2H+4 the ligand is only slightly distorted from its free ligand structure, the C-C distance has hardly increased and there is only a very small bending of the H atom away from the Ca atom. This is consistent with the electrostatic nature of the bonding. Two different approaches-Hartree-Fock(HF) and density functional theory methods(DFT)-are used and basis sets here used is 6-311+G(3df,2p). The DFT results are in good agreement with experiments, namely, DFT methods provide the benefits that some more expensive ab initio methods can do, but at essentially HF cost. So it is important to include electron correlation for accurate results in this study.

  17. Immunogenicity and protective efficacy of DMT liposome-adjuvanted tuberculosis subunit CTT3H vaccine.

    Science.gov (United States)

    Teng, Xindong; Tian, Maopeng; Li, Jianrong; Tan, Songwei; Yuan, Xuefeng; Yu, Qi; Jing, Yukai; Zhang, Zhiping; Yue, Tingting; Zhou, Lei; Fan, Xionglin

    2015-01-01

    Different strategies have been proposed for the development of protein subunit vaccine candidates for tuberculosis (TB), which shows better safety than other types of candidates and the currently used Bacillus Calmette-Guérin (BCG) vaccine. In order to develop more effective protein subunits depending on the mechanism of cell-mediated immunity against TB, a polyprotein CTT3H, based on 5 immunodominant antigens (CFP10, TB10.4, TB8.4, Rv3615c, and HBHA) with CD8(+) epitopes of Mycobacterium tuberculosis, was constructed in this study. We vaccinated C57BL/6 mice with a TB subunit CTT3H protein in an adjuvant of dimethyldioctadecylammonium/monophosphoryl lipid A/trehalose 6,6'-dibehenate (DDA/MPL/TDB, DMT) liposome to investigate the immunogenicity and protective efficacy of this novel vaccine. Our results demonstrated that DMT liposome-adjuvanted CTT3H vaccine not only induced an antigen-specific CD4(+) Th1 response, but also raised the number of PPD- and CTT3H-specific IFN-γ(+) CD8(+) T cells and elicited strong CTL responses against TB10.4, which provided more effective protection against a 60 CFU M. tuberculosis aerosol challenge than PBS control and DMT adjuvant alone. Our findings indicate that DMT-liposome is an effective adjuvant to stimulate CD8(+) T cell responses and the DMT-adjuvanted subunit CTT3H vaccine is a promising candidate for the next generation of TB vaccine.

  18. Rolipram depresses [3H]2-deoxyglucose uptake in mouse brain and heart in vivo

    International Nuclear Information System (INIS)

    The effects of systemic administration of rolipram, a selective phosphodiesterase type 4 inhibitor, on [3H]2-deoxyglucose (DG) uptake in brain and peripheral tissues were examined. Rolipram significantly and dose-dependently decreased [3H]DG uptake in brain, heart and skeletal muscle. In contrast, the radioactivity concentrations in the plasma of rolipram-treated mice were significantly higher than those of control mice at all times after injection of the tracer. In the kinetic study, the initial uptake of [3H]DG in brain was decreased by rolipram, whereas no significant differences were observed in the uptake in heart and skeletal muscle. However, radioactivity concentrations in the brain, heart and skeletal muscle 30 min after the injection of [3H]DG were significantly lowered by rolipram to about 60%, 10% and 10% of control values, respectively. The uptake of [13N]ammonia in brain and heart of rolipram-treated mice was slightly decreased, which indicated that rolipram diminished both cerebral and cardiac blood flow. These results indicate that the phosphorylation process via hexokinase rather than the transport of [3H]DG might be depressed by rolipram. Together with the previous observations that inhibition of protein kinase A (PKA) markedly enhanced [14C]DG uptake in rat brain, these results indicate an important role of the cAMP/PKA systems in the regulation of glucose metabolism in the living brain as well as in peripheral tissues such as the heart and skeletal muscle. (orig.)

  19. In vivo (/sup 3/H)flunitrazepam binding: imaging of receptor regulation

    Energy Technology Data Exchange (ETDEWEB)

    Ciliax, B.J.; Penney, J.B. Jr.; Young, A.B.

    1986-08-01

    The use of (/sup 3/H)flunitrazepam as a ligand to measure alterations in benzodiazepine receptors in vivo in rats was investigated. Animals were injected with (/sup 3/H)flunitrazepam i.v., arterial samples of (/sup 3/H)flunitrazepam were obtained and, later, the animals were sacrificed to assay brain binding. (/sup 3/H)flunitrazepam enters the brain rapidly and binds to benzodiazepine receptors. About two-thirds of this binding is blocked by predosing the animals with 5 mg/kg of clonazepam. The amount of remaining (nonspecific) binding correlates very well (r = 0.88) with the amount of radioactivity found in plasma at the time of death. A series of rats were lesioned unilaterally with kainic acid in the caudate-putamen several months before the infusion of (/sup 3/H)flunitrazepam. In vivo autoradiography in lesioned rats showed that benzodiazepine binding in globus pallidus and substantia nigra on the side of the lesion was increased significantly as compared to the intact side. The observed changes in benzodiazepine binding were similar to those observed previously in lesioned rats using in vitro techniques. Thus, benzodiazepine receptor regulation can be imaged quantitatively using in vivo binding techniques.

  20. In vivo [3H]flunitrazepam binding: imaging of receptor regulation

    International Nuclear Information System (INIS)

    The use of [3H]flunitrazepam as a ligand to measure alterations in benzodiazepine receptors in vivo in rats was investigated. Animals were injected with [3H]flunitrazepam i.v., arterial samples of [3H]flunitrazepam were obtained and, later, the animals were sacrificed to assay brain binding. [3H]flunitrazepam enters the brain rapidly and binds to benzodiazepine receptors. About two-thirds of this binding is blocked by predosing the animals with 5 mg/kg of clonazepam. The amount of remaining (nonspecific) binding correlates very well (r = 0.88) with the amount of radioactivity found in plasma at the time of death. A series of rats were lesioned unilaterally with kainic acid in the caudate-putamen several months before the infusion of [3H]flunitrazepam. In vivo autoradiography in lesioned rats showed that benzodiazepine binding in globus pallidus and substantia nigra on the side of the lesion was increased significantly as compared to the intact side. The observed changes in benzodiazepine binding were similar to those observed previously in lesioned rats using in vitro techniques. Thus, benzodiazepine receptor regulation can be imaged quantitatively using in vivo binding techniques

  1. Sandwich SrTiO{sub 3}/TiO{sub 2}/H-Titanate nanofiber composite photocatalysts for efficient photocatalytic hydrogen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuanxu; Wang, Zhonglei; Wang, Wendong [Hefei National Laboratory for Physical Sciences at the Microscale, Collaborative Innovation Center of Suzhou Nano Science and Technology, CAS Key Laboratory of Materials for Energy Conversion, and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); An, Xiaoqiang [Department of Chemical Engineering, University College London, London WC 1E 7JE (United Kingdom); Mi, Shiyang [Hefei National Laboratory for Physical Sciences at the Microscale, Collaborative Innovation Center of Suzhou Nano Science and Technology, CAS Key Laboratory of Materials for Energy Conversion, and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); Tang, Junwang [Department of Chemical Engineering, University College London, London WC 1E 7JE (United Kingdom); Huang, Weixin, E-mail: huangwx@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at the Microscale, Collaborative Innovation Center of Suzhou Nano Science and Technology, CAS Key Laboratory of Materials for Energy Conversion, and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China)

    2014-10-01

    Graphical abstract: - Highlights: • SrTiO{sub 3}/TiO{sub 2}/H-titanate nanofiber composites with sandwich heterojunctions are prepared. • Sandwich heterojunctions largely improves the charge separation efficiency. • Photo-excited electrons exclusively transfer to photocatalytically active TiO{sub 2} component. • Sandwich composites are most active in the photocatalytic H{sub 2} evolution reaction. • Multi-heterojunctions strategy is proposed for efficient photocatalysts. - Abstract: SrTiO{sub 3}/TiO{sub 2}/H-Titanate nanofiber composites were synthesized through facile thermal treatment of Sr(OH){sub 2} and H-titanate nanofibers in an ethanol/water solution and their photocatalytic activities for H{sub 2} evolution from a methanol/water solution under simulated solar irradiation were evaluated. TiO{sub 2}/H-titanate nanofiber composites were acquired without Sr(OH){sub 2} addition. At low Sr/Ti molar ratios, SrTiO{sub 3}/TiO{sub 2}/H-titanate nanofiber composites form. SrTiO{sub 3} nanoparticles were found to selectively grow on the surface of TiO{sub 2} nanoparticles, forming a unique SrTiO{sub 3}-TiO{sub 2}-H-titanate sandwich heterojunction. Upon increasing the Sr/Ti molar ratio, the fraction of TiO{sub 2} in the resultant composites decreases and eventually SrTiO{sub 3}/H-titanate nanofiber composites form. SrTiO{sub 3}/TiO{sub 2}/H-titanate nanofiber composites are significantly more photocatalytically active than SrTiO{sub 3}/H-titanate nanofiber and TiO{sub 2}/H-titanate nanofiber composites due to the mitigated charge recombination and the accumulation of photo-excited electrons on the photocatalytically active TiO{sub 2} component. These results demonstrate an effective strategy of multi-heterojunctions with both appropriately-aligned band structures and appropriately-arranged composite structures to fabricate efficient composite photocatalysts.

  2. Syntheses and Crystal Structures of Two New Compounds Containing Triarylamineand Benzoic Hydrazide Units [Zn(μ-O2CCH=CHCO2)(C3H4N2)(H2O)]n

    Institute of Scientific and Technical Information of China (English)

    邹武新; 于海涛; 郭辉; 孟继本

    2004-01-01

    Two new compounds containing triarylamine and benzoic hydrazide units, 4-[N,N-di(4-toyl)amino]benzaldehyde-N-(4-ethoxylphenyl)-formyl hydrazone 3a and 4-[N,N-di(4-toyl) amino]benzaldehyde-N-(2-ethoxylphenyl)-formyl hydrazone 3b, have been synthesized and their crystal structures (C30H29N3O2, Mr = 463.56) were interpreted by a combination technique of 1HNMR, IR, elemental analysis, mass spectra, UV-Vis spectra and X-ray crystallography, respec- tively. The crystal of 3a belongs to monoclinic, space group P21/n with a = 9.321(3) A, b = 11.046(4) A, c = 24.335(9) A, β=92.649(7)°, V = 2502.7(16) A3, Z = 4,μ =0.078 mm-1, Dc =1.230 g/cm3, F(000) = 984, the final R = 0.0590 and wR = 0.1316 for 4367observed reflections with I > 2σ(I). The crystal of 3b belongs to monoclinic, space group P21/c with a = 10.637(4) A, b = 24.138(10) A, c = 10.398(4) A, β= 104.913(8)°, V= 2579.8(17) A3, Z = 4,μ = 0.075 mm-1, Dc = 1.194 g/cm3, F(000) = 984, the final R =0.0631 and wR =0.1006 for 4463 observed reflections with I > 2σ(I). X-ray crystallography revealed that the nitrogen atom in the triarylamine moiety is of sp2 hybridization with the three phenyl rings twisted to each other.

  3. Investigation of the NH-π hydrogen bond interaction in the aniline-alkene (C2H4,C3H6,C4H8) cluster cations by infrared depletion spectroscopy

    International Nuclear Information System (INIS)

    The vibrational spectra of the NH stretching vibrations of aniline-alkene cluster cations have been measured using infrared depletion method. Aniline-ethene cation showed three strong absorption bands at 3448, 3314 and 3220 cm-1. The comparison with MO calculation has shown that the main intermolecular interaction is the NH-π type hydrogen bond between one of the NH bonds of aniline cation and π-electron of ethene, which is different from that observed for the neutral aniline-ethene cluster. The bands at 3448 and 3220 cm-1 have been assigned to the stretching vibrations of free NH and bonded NH, respectively, and the band at 3314 cm-1 to the binary overtone of the NH2 deformation vibration. Similar results have been obtained for aniline-propene and aniline-butene cluster cations. The red shift of the stretching vibration of free NH bond of aniline cation agreed with that expected from the correlation with the proton affinity of the acceptor molecule obtained for the aniline-aromatic cluster cations (NH-π type)

  4. Synthesis, Crystal Structure and Electrochemical Property of 3a,4,5,8,9,9a,10,11-Octahydro-2H,3H-1,6,7,12-tetrathiaperylene (H10TTPR)

    Institute of Scientific and Technical Information of China (English)

    SHAO, Xiang-Feng(邵向锋); ZHAN, Chuan-Lang(詹传郎); WANG, Cheng(汪成); ZHANG, De-Qing(张德清); XU, Wei(徐伟); LIU, Cai-Ming(刘彩明); ZHU, Dao-Ben(朱道本)

    2004-01-01

    H10TTPR was prepared starting from terephthalaldehyde and characterized. Crystal structure of H10TTPR and an intermediate compound 11 were determined by X-ray diffraction analysis. A quasi-reversible redox wave at 1.15 V (vs. SCE) was observed for H10TTPR, indicating that it is a weak electron donor.

  5. Assembly of gold nanoparticles with H10TTPR(3a, 4, 5, 8, 9, 9a, 10, 11-octa-hydro-2H,3H-1,6,7,12-tetrathia-perylene) as the rigid cross-linker

    Institute of Scientific and Technical Information of China (English)

    SHAO Xiangfeng; WANG Tongxin; ZHANG Deqing; XU Wei; ZHU Daoben

    2004-01-01

    Gold nanoparticles were assembled with the rigid cross-linker, H10TTPR. The assembly process was studied with the UV-vis spectroscopy and TEM. By adjusting the amount of H10TTPR added to the gold nanoparticle solution, the aggregate form of gold nanoparticles could be controlled.

  6. Synthesis and Crystal Structure of a 3-D Hydrogen-bonded Supramolecular Decavanadate Compound [Habo]6[V10O28]·2C3H7OH·2H2O

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    A new inorganic-organic hybrid supramolecular compound [Habo]6[V10O28]·solvents and its crystal structure was reported as follows: monoclinic, space group P21/n, a =11.419(9), b = 16.811(16), c = 15.521(12) (A), β= 102.98(2)°, V= 2903(4) (A)3, Z = 4, C15H46N3O19V5,Mr = 827.25, Dc = 1.893 g/cm3, λ(MoKα) = 0.71073 A,μ = 1.636 mm-1, F(000) = 1696, the final R =0.0696 and wR = 0.1361 for 4641 observed reflections with I > 2σ(I). The compound is based on decavanadate clusters [V 1oO28]6-. The hydrogen bonding interactions among Habo+ cations, solvents and decavanadate clusters extend 1 into a three-dimensional supramolecular architecture.

  7. 9-(2,3-Dichlorophenyl-4a-hydroxy-3,3,6,6-tetramethyl-4,4a,5,6,9,9a-hexahydro-3H-xanthene-1,8(2H,7H-dione

    Directory of Open Access Journals (Sweden)

    Ali Abdi Jahangir

    2008-02-01

    Full Text Available Molecules of the title compound, C23H26Cl2O4, are linked by hydrogen bonds between the hydroxyl O atom and the carbonyl O atom of a neighboring molecule. The central hydropyran and fused cyclohexanone rings adopt half-chair conformations, while the fused hydroxycyclohexanone ring adopts a chair conformation.

  8. Potential and limitations of 2D sup 1 H- sup 1 H spin-exchange CRAMPS experiments to characterize structures of organic solids

    CERN Document Server

    Brus, J; Petrickova, H

    2002-01-01

    A brief overview of our recent results concerning the application of 2D CRAMPS experiments to investigate a wide range of materials is presented. The abilities of the 2D sup 1 H- sup 1 H spin-exchange technique to characterize the structure of organic solids as well as the limitations resulting from segmental mobility and from undesired coherence transfer are discussed. Basic principles of sup 1 H NMR line-narrowing and procedures for analysis of the spin-exchange process are introduced. We focused to the qualitative and quantitative analysis of complex spin-exchange process leading to the determination of domain sizes and morphology in heterogeneous multicomponent systems as well as the characterization of clustering of surface hydroxyl groups in polysiloxane networks. Particular attention is devoted to the determination of the sup 1 H- sup 1 H interatomic distances in the presence of local molecular motion. Finally we discuss limitations of the sup 1 sup 3 C- sup 1 sup 3 C correlation mediated by sup 1 H- s...

  9. Proton-detected 3D (15)N/(1)H/(1)H isotropic/anisotropic/isotropic chemical shift correlation solid-state NMR at 70kHz MAS.

    Science.gov (United States)

    Pandey, Manoj Kumar; Yarava, Jayasubba Reddy; Zhang, Rongchun; Ramamoorthy, Ayyalusamy; Nishiyama, Yusuke

    2016-01-01

    Chemical shift anisotropy (CSA) tensors offer a wealth of information for structural and dynamics studies of a variety of chemical and biological systems. In particular, CSA of amide protons can provide piercing insights into hydrogen-bonding interactions that vary with the backbone conformation of a protein and dynamics. However, the narrow span of amide proton resonances makes it very difficult to measure (1)H CSAs of proteins even by using the recently proposed 2D (1)H/(1)H anisotropic/isotropic chemical shift (CSA/CS) correlation technique. Such difficulties due to overlapping proton resonances can in general be overcome by utilizing the broad span of isotropic chemical shifts of low-gamma nuclei like (15)N. In this context, we demonstrate a proton-detected 3D (15)N/(1)H/(1)H CS/CSA/CS correlation experiment at fast MAS frequency (70kHz) to measure (1)H CSA values of unresolved amide protons of N-acetyl-(15)N-l-valyl-(15)N-l-leucine (NAVL).

  10. [trans-en2Os(η-H2)]2+ as an 1H NMR probe for the coordination of some anticancer metal complexes to deoxyguanotide

    Institute of Scientific and Technical Information of China (English)

    杨频; 郭茂林; 李青山; 田燕妮; Henry TAUBE

    1997-01-01

    The molecular hydrogen complex of osmium,[trans-en2Os(η-H2)]2+(en,entlylendediamine) is a new 1H NMR recognition probe for biomolecules.By using this probe,the coordination between deoxyguanylic acid (dGMP) and four metal anticancer complexes,titanocene dichloride,(C2H5)2SnCl2(phen),(C2H5)2SnCl2 and cis-piatm are studied in D2O under the condition near the physiological one.The results show that the former three complexes mainly and strongly coordinate with the phosphate oxygen of dGMP,while cisplatin mainly coordinates with N(7) of dGMP

  11. A comparative adsorption study of C2H4 and SO2 on clinoptilolite-rich tuff: effect of acid treatment.

    Science.gov (United States)

    Erdoğan Alver, Burcu

    2013-11-15

    In this study, ethylene (C2H4) and sulphur dioxide (SO2) adsorption properties of clinoptilolite tuff from Gördes, Turkey and that of acid treated forms were studied at 293K using volumetric apparatus up to 38 and 100 kPa, respectively. In order to consider the effect of acid treatment on structural and gas adsorption properties of zeolite, clinoptilolite mineral was modified with 0.1, 0.5, 1.0 and 2.0M HCl solutions at 70 °C during 3h. XRD, XRF, TG/DTG, DTA and N2 adsorption methods were employed for thermal and structural characterization of clinoptilolite samples before and after the acid treatment. SO2 adsorption capacities (2.356-2.739 mmol/g) of the clinoptilolite samples were superior to those of the C2H4 adsorptions (0.619-1.219 mmol/g).

  12. Electron swarm parameters in pure C2H2 and in C2H2-Ar mixtures and electron collision cross sections for the C2H2 molecule

    Science.gov (United States)

    Nakamura, Yoshiharu

    2010-09-01

    Electron swarm parameters (the drift velocity and the longitudinal diffusion coefficient) were measured in pure C2H2 and also in C2H2-Ar mixtures containing 0.517% and 5.06% acetylene over wide E/N ranges. These swarm parameters were analysed using a Boltzmann equation analysis and a set of electron collision cross sections for the C2H2 molecule was derived so that it was consistent with the present swarm data and published ionization coefficient. The present result suggested the presence of a Ramsauer-Townsend minimum in the elastic momentum transfer cross section at 0.08 eV and prominent threshold and resonance peaks in the ν4/ν5 vibrational excitation cross section. The present cross section set was also confirmed to be consistent with the published experimental total cross section of C2H2.

  13. Effects of beta-adrenergic blocking agents on specific binding of [3H]D-Ala2-Met5-enkephalinamide and [3H]naloxone.

    OpenAIRE

    Takayama, Haruhiko; Ogawa,Norio; Asanuma, Masato; Hirata, Hiroshi; Ogura,Toshio; Ota,Zensuke

    1991-01-01

    To gain further insight into the central nervous system (CNS)-action of beta-adrenergic blocking agents (beta-blockers), we examined the effects of various kinds of beta-blockers on opioid receptors (Op-Rs) using radiolabeled receptor assay (RRA). We demonstrated that beta-blockers are competitively bound to Op-Rs in the CNS. Sodium index of beta-blockers in [3H]naloxone binding study indicated that beta-blockers had the mixed agonist-antagonist activity of opiates. The relative potency of be...

  14. Thermodynamic properties and molecular motions in ferroelectric (C3N2H5)5Sb2Br11

    International Nuclear Information System (INIS)

    Research Highlights: → Two overlapped phase transitions in the low temperature region. → 1H NMR conformed dynamical non-equivalence of the imidazolium cations. → The paraelectric-ferroelectric transition is close to the tricritical one. - Abstract: The first precise measurements of specific heat changes have been performed for a ferroelectric crystal (C3N2H5)5Sb2Br11 by means of an ac calorimeter. The calorimetric measurements disclosed a quite uncommon type of heat anomaly close to the paraelectric-ferroelectric transition. The ferroelectric phase transition at about 145 K has been characterized and described by the Landau model using the specific heat data. Thermal parameters (such as the excess enthalpy (ΔH) and the excess entropy (ΔS) of the continuous ferroelectric phase transition have been estimated and discussed. 1H spin-lattice relaxation at 90 MHz has been measured for this crystal in a very broad temperature range 90-420 K, covering three phase transitions. The relaxation data have been interpreted in terms of different dynamical properties of imidazolium cations put in structurally different environments.

  15. Autoradiographic examinations on the synthesis of the virus herpes simplex in macrophages, rabbit kidney- and BHK-cells by labelling with 3H-thymidine, 3H-uridine and UDP-3H-galactose

    International Nuclear Information System (INIS)

    After injection, an autoradiographically measurable reduplication of virus-specific DNA takes place in NMRI-macrophages infected with HSV (herpes simplex virus). For this process, a sufficient duration of the 3H-thymidine pulses is of essential importance. An infection with HSV of the Lennette strain induces in considerably more cells of a macrophage population the production of virus-specific DNA than the infection with HSV of the D-316 type. After injection a reduplication of virus-specific DNA occurs in more cells of a HSV-infected population of old macrophages than in that one consisting of young macrophages. In the 7th hour after injection a reduction of RNA synthesis was observed in the HSV-infected macrophage cultures. After HSV-infection, a synthesis of virus-specific DNA could not be detected autoradiographically in macrophages of C 57/bl mice. After HSV-infection the virus-specific DNA synthesis was also observed in activated macrophages of NMRI mice, which had been treated with thioglucollate 72 hours before cell extraction. In general, the previous thioglucollate treatment increased the susceptibility of the macrophages of infection with subsequent reduplication of herpes-specific DNA. Compared to other not infected but activated macrophages, the RNA synthesis after injection was found to be not (HSV Lennette) or only minutely (HSV D-316) reduced in HSV-infected cultures of activated macrophages. In the investigations about the utilisation of exogenic UDP-3H-galactose by BHK and rabbit cells it was observed that only few cells of the cultures provide an externally accessible galactosyl transferase activity. Due to the influence of cell-damaging mechanisms a cell proliferation is induced, which is accompanied by externally accessible galactosyl transferase activities in the cell cultures. (orig./MG)

  16. Metabolism of [3H]pentosan polysulfate sodium (PPS) in healthy human volunteers.

    Science.gov (United States)

    Simon, M; McClanahan, R H; Shah, J F; Repko, T; Modi, N B

    2005-08-01

    Pentosan polysulfate sodium (PPS) is the active ingredient in ELMIRON, a drug approved for the relief of bladder pain associated with interstitial cystitis. The study objective was to characterize the pharmacokinetic and metabolic profiles of PPS following oral dosing of [3H]PPS. As specific assays for PPS do not exist, metabolic profiling was accomplished through multiple fraction collections and radiochromatographic techniques. Two groups of eight healthy female subjects sequentially received a single oral dose of 200 microCi [3H]PPS supplemented with 300 mg unlabelled PPS or 300 microCi [3H]PPS supplemented with 450 mg unlabelled PPS. Most of the administered dose (84%) was excreted in faeces as intact PPS, and a smaller percentage (6%) was excreted in urine. In summary, orally administered PPS was very poorly absorbed, with the majority of the drug being excreted in faeces as intact PPS and in urine as low molecular weight and desulfated PPS.

  17. Effect of membrane protein concentration on binding of 3H-imipramine in human platelets

    International Nuclear Information System (INIS)

    Binding of 3H-imipramine to platelet membranes has been implicated as a marker for depression. Comparing 3H-IMI binding between depressed patients and normal subjects we observed an increase in the dissociation constant Kd with increasing membrane protein. This phenomenon was studied more rigorously in five normal subjects. Platelet membranes were prepared and adjusted to four concentrations of protein ranging from 100 to 800 micrograms/ml. The 3H-IMI binding parameters of maximum binding sites number (Bmax) and Kd were obtained by Scatchard analysis at each membrane concentration. A positive linear relationship was found between K/sub d/ values and the concentration of membrane protein in the assay, but no change was observed in Bmax. The variability in Kd values reported in the literature may be accounted for in part by the different concentrations of membrane protein used in various studies

  18. Measuring techniques for environmental 3H, 14C and 222Rn by liquid scintillation counter

    International Nuclear Information System (INIS)

    Measuring techniques for environmental 3H, 14C and 222Rn with a liquid scintillation counter have been studied. 3H in environmental water was enriched by electrolysis and measured with a low background liquid scintillation counter. By this technique, 3H concentration of ground water, river water, sea water and rain water at Tokyo was founded to be 0.1 ∼ 2.5 Bq/1. 14C in taurine and ethyl-alcohol was measured directly liquid scintillation counter. By this 14C measuring, natural products, contain low level 14C, were distinguished from synthesised products contain no 14C. 222Rn in toluene extracted from environmental water or air was measured by scintillation pulse interval analysis method. By this technique, 222Rn was able to be measured under very low background counting rate, 0.03cpm, and high efficiency. (author)

  19. Competitive inhibition of [3H]dexamethasone binding to mammary glucocorticoid receptor by leupeptin

    International Nuclear Information System (INIS)

    The inhibitory effect of leupeptin on [3H]dexamethasone binding to the glucocorticoid receptor from lactating goat mammary cytosol has been studied. Leupeptin (10 mM) caused a significant (about 35%) inhibition of [3H]dexamethasone binding to glucocorticoid receptor. Binding inhibition is further increased following filtration of unlabeled cytosolic receptor through a Bio-Gel A 0.5-m column. Binding inhibition was partially reversed by monothioglycerol at 10 mM concentration. A double reciprocal plot revealed that leupeptin appears to be a competitive inhibitor of [3H]dexamethasone binding to the glucocorticoid receptor. Low salt sucrose density gradient centrifugation revealed that the leupeptin-treated sample formed a slightly larger (approximately 9 S) receptor complex (leupeptin-free complex sediments at 8 S)

  20. Safety assessment for a KBS-3H spent nuclear fuel repository at Olkiluoto. Summary report

    International Nuclear Information System (INIS)

    The KBS-3 method, based on multiple barriers, is the proposed spent fuel disposal method both in Sweden and Finland. KBS-3H and KBS-3V are the two design alternatives of the KBS-3 spent fuel disposal method. Posiva and SKB have conducted a joint research, demonstration and development (RDandD) programme in 2002-2007 with the overall aim of establishing whether KBS-3H represents a feasible alternative to the reference alternative KBS-3V. The overall objectives of the present phase covering the period 2004-2007 have been to demonstrate that the horizontal deposition alternative is technically feasible and to demonstrate that it fulfils the same long-term safety requirements as KBS-3V. The safety studies conducted as part of this programme include a safety assessment of a preliminary design of a KBS-3H repository for spent nuclear fuel located about 400 m underground at the Olkiluoto site, which is the proposed site for a spent fuel repository in Finland. This safety assessment is summarised in the present report. The scientific basis of the safety assessment includes around 30 years of scientific RandD and technical development in the Swedish and Finnish KBS-3V programmes. Much of this scientific basis is directly applicable to KBS-3H. This has allowed the KBS-3H safety studies to focus on those issues that are unique to this design alternative, identified in a systematic 'difference analysis' of KBS-3H and KBS-3V. This difference analysis has shown that the key differences in the evolution and performance of KBS-3H and KBS-3V relate mainly to the engineered barrier system and to the impact of local variations in the rate of groundwater inflow on buffer saturation along the KBS-3H deposition drifts. No features or processes specific to KBS-3H have been identified that could lead to a loss or substantial degradation of the safety functions of the engineered barriers over a million year time frame. Radionuclide release from the repository near field in the event of

  1. Safety assessment for a KBS-3H spent nuclear fuel repository at Olkiluoto. Summary report

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Paul; Neall, Fiona; Snellman, Margit; Pastina, Barbara; Nordman, Henrik; Johnson, Lawrence; Hjerpe, Thomas

    2008-03-15

    The KBS-3 method, based on multiple barriers, is the proposed spent fuel disposal method both in Sweden and Finland. KBS-3H and KBS-3V are the two design alternatives of the KBS-3 spent fuel disposal method. Posiva and SKB have conducted a joint research, demonstration and development (RDandD) programme in 2002-2007 with the overall aim of establishing whether KBS-3H represents a feasible alternative to the reference alternative KBS-3V. The overall objectives of the present phase covering the period 2004-2007 have been to demonstrate that the horizontal deposition alternative is technically feasible and to demonstrate that it fulfils the same long-term safety requirements as KBS-3V. The safety studies conducted as part of this programme include a safety assessment of a preliminary design of a KBS-3H repository for spent nuclear fuel located about 400 m underground at the Olkiluoto site, which is the proposed site for a spent fuel repository in Finland. This safety assessment is summarised in the present report. The scientific basis of the safety assessment includes around 30 years of scientific RandD and technical development in the Swedish and Finnish KBS-3V programmes. Much of this scientific basis is directly applicable to KBS-3H. This has allowed the KBS-3H safety studies to focus on those issues that are unique to this design alternative, identified in a systematic 'difference analysis' of KBS-3H and KBS-3V. This difference analysis has shown that the key differences in the evolution and performance of KBS-3H and KBS-3V relate mainly to the engineered barrier system and to the impact of local variations in the rate of groundwater inflow on buffer saturation along the KBS-3H deposition drifts. No features or processes specific to KBS-3H have been identified that could lead to a loss or substantial degradation of the safety functions of the engineered barriers over a million year time frame. Radionuclide release from the repository near field in the

  2. Role of Metallothionein1H in Cisplatin Resistance of Non-Small Cell Lung Cancer Cells

    Institute of Scientific and Technical Information of China (English)

    Xin-fang Hou; Qing-xia Fan; Liu-xing Wang; Shi-xin Lu

    2009-01-01

    Objective: Despite platinum-based adjuvant chemotherapy has improved greatly patients' outcomes, drug resistance poses a major impediment to the successful use of such an effective agent. Metallothioneins(MTs) are known to play putative roles in cancer cell proliferation, apoptosis, differentiation, drug resistance and prognosis. The present studiy was to investigte the role of metallethioein1H(MT1H) in cisplatin resistance of human non-small cell lung cancer(NSCLC) cell lines in vitro or its possible molecular mechanisms. Methods: MT1H mRNA expression in A549 and A549/DDP cells was detected by RT-PCR. A recombinant eukaryotic expression plasmid pcDNA3.1(-)-MT1H was constructed and transfected into A549 cells which express no MT1H. MT1H siRNA was transfected into A549/DDP cells which express MT1H highly. MT1H expression was detected by RT-PCR and Immunoblot. The chemosensitivity to cisplatin was assessed by MTT assay. Apoptosis rate was determined by Tunel and FCM. Bcl-2 and Bax were determined by immunohistochemistry. Results: MT1H mRNA was expressed in A549/DDP but not in A549. After transfection of MT1H, MT1H expression was enhanced and the chemosensitivity to cisplatin was decreased in A549 cells. Inversely, after transfection of MT1H siRNA, MT1H expression was decreased and the chemosensitivity to cisplatin was increased in A549/DDP. The apoptosis rate induced by cisplatin was increased and Bcl-2 was down-regulated but Bax showed little change in A549/DDP cells interferred with MT1H siRNA. Conclusion: MT1H overexpression can promote drug resistance in A549 cells . Down-regulation of MT1H interfered with siRNA can effectively reverses the drug resistance in A549/DDP cells by down-regulating the expression of Bcl-2 and increasing cisplatin induced apoptosis. SiRNA targeting MT1H combined with chemotherapy may be a very promising strategy for treatment of lung cancer.

  3. Autoradiographic localization of /sup 3/H-digoxin binding by neural cells in the medulla

    Energy Technology Data Exchange (ETDEWEB)

    Traurig, H.H.; Bhagat, A.; Bass, N.H.

    1985-01-01

    The purpose of this investigation was to localize binding sites for the cardiac glycoside digoxin in the medulla of the rat in vivo. Adult male Sprague-Dawley rats were injected (IV) with /sup 3/H-digoxin and killed 30 minutes later. Autoradiographs of medullas showed evidence of /sup 3/H-digoxin binding to small- and medium-sized neural cells in the regions of the nucleus solitarius, dorsal motor nucleus of the vagus, area postrema, and in the zone between the area postrema and the underlying neuropil. However, the parasympathetic preganglionic neurons of the dorsal motor nucleus were not labeled. The /sup 3/H-digoxin-labeled cells in the medulla were located mainly in the commissural and medial portions of nucleus solitarius at the level of the area postrema. Animals injected with unlabeled digoxin followed by /sup 3/H-digoxin showed reduced binding of radioactivity. The small- and medium-sized neurons of the caudal portions of the nucleus solitarius are internuncial in position with respect to cardiovascular afferents of the glossopharyngeal and vagus nerves and sympathetic and parasympathetic cardiovascular efferent neurons of the medulla. The results of this study suggest that these /sup 3/H-digoxin-labeled cells, presumably neurons of nucleus solitarius, may possess high affinity binding sites for digoxin. Further, the area postrema, which lacks a blood-brain barrier, may provide a portal of entry for /sup 3/H-digoxin into regions of the medulla known to contain neurons that play a role in the regulation of cardiac rhythm.

  4. Autoradiographic localization of specific [3H]dexamethasone binding in fetal lung.

    Science.gov (United States)

    Beer, D G; Butley, M S; Cunha, G R; Malkinson, A M

    1984-10-01

    The cellular and subcellular localization of specific [3H]dexamethasone binding was examined in fetal mouse lung at various stages of development and in human fetal lung at 8 weeks of gestation using a rapid in vitro steroid incubation technique followed by thaw-mount autoradiography. Competition studies with unlabeled steroids demonstrate the specificity of [3H]dexamethasone labeling, and indicate that fetal lung mesenchyme is a primary glucocorticoid target during lung development. Quantitative binding studies, involving incubation of intact tissue with competing ligand and subsequent subcellular fractionation, show this to be specific, nuclear binding characteristic of glucocorticoid receptors. Autoradiographs of [3H]dexamethasone binding in lung tissue at early stages of development demonstrate that the mesenchyme directly adjacent to the more proximal portions of the bronchiolar network is heavily labeled. In contrast, the epithelium which will later differentiate into bronchi and bronchioles, is relatively unlabeled. Distal portions of the growing epithelium, destined to become alveolar ducts and alveoli, do show nuclear localization of [3H]dexamethasone. Because of the known importance of the mesenchyme in controlling lung development and the ability of glucocorticoids to stimulate lung development, these results suggest that many of the growth-promoting effects of glucocorticoids may be mediated through the mesenchyme. In addition, by utilizing a technique which allows the simultaneous examination of extracellular matrix components and [3H]dexamethasone binding, a relationship is observed between extensive mesenchymal [3H]dexamethasone binding and extensive extracellular matrix accumulation. Since glucocorticoids stimulate the synthesis of many extracellular matrix components, these results suggest a role for these hormones in affecting mesenchymal-epithelial interactions during lung morphogenesis.

  5. Interactions of ( sup 3 H)amphetamine with rat brain synaptosomes. II. Active transport

    Energy Technology Data Exchange (ETDEWEB)

    Zaczek, R.; Culp, S.; De Souza, E.B. (Addiction Research Center, Baltimore, MD (USA))

    1991-05-01

    The accumulation of 5 nM d-({sup 3}H)amphetamine (d-({sup 3}H)AMPH) into rat brain synaptosomes was examined using physiological buffer conditions. The accumulation of d-({sup 3}H)AMPH into striatal synaptosomes was saturable, of high affinity, ouabain-sensitive and temperature-dependent, suggesting an active transport phenomenon. Eadee-Hofstee analysis of striatal d-({sup 3}H)AMPH transport (AMT) saturation isotherms indicated an apparent Km of 97 nM and a Vmax of 3.0 fmol/mg tissue/min. Lesion of the striatal dopaminergic innervation led to equivalent decreases of ({sup 3}H) dopamine (DA) transport and AMT, indicating that AMT occurs in DA terminals. Furthermore, AMT was not evident in cerebral cortex, a brain region with a paucity of DA terminals. In competition studies, AMT was stereospecific; d-AMPH (IC50 = 60 nM) was an 8-fold more potent inhibitor of the transport than its I-isomer (IC50 = 466 nM). DA(IC50 = 257 nM), DA uptake blockers and substrates were found to be potent inhibitors of AMT: GBR12909 IC50 = 5 nM; methamphetamine IC50 = 48 nM; methylphenidate IC50 = 53 nM; and cocaine IC50 = 172 nM. In contrast, serotonin was relatively weak in inhibiting AMT (IC50 = 7.9 microM). There was a highly significant (P less than .001; slope = 1.2) linear correlation between the AMT-inhibiting potencies of AMPH analogs and their potencies in stimulating locomotor activity in rodents. AMT may be important in the low dose effects of AMPH such as increased locomotor activity in rodents and stimulant activity in man. Differences between AMT and d-({sup 3}H)AMPH sequestration described earlier, as well as their possible relevance to behavioral and neurochemical sequelae of AMPH administration are also discussed.

  6. Mechanistic Assessment of PD-1H Coinhibitory Receptor-Induced T Cell Tolerance to Allogeneic Antigens.

    Science.gov (United States)

    Flies, Dallas B; Higuchi, Tomoe; Chen, Lieping

    2015-06-01

    PD-1H is a recently identified cell surface coinhibitory molecule of the B7/CD28 immune modulatory gene family. We showed previously that single injection of a PD-1H agonistic mAb protected mice from graft-versus-host disease (GVHD). In this study, we report two distinct mechanisms operate in PD-1H-induced T cell tolerance. First, signaling via PD-1H coinhibitory receptor potently arrests alloreactive donor T cells from activation and expansion in the initiation phase. Second, donor regulatory T cells are subsequently expanded to maintain long-term tolerance and GVHD suppression. Our study reveals the crucial function of PD-1H as a coinhibitory receptor on alloreactive T cells and its function in the regulation of T cell tolerance. Therefore, PD-1H may be a target for the modulation of alloreactive T cells in GVHD and transplantation. PMID:25917101

  7. Assignments of 1H and 13C NMR Signals of Mogroside IVa

    Institute of Scientific and Technical Information of China (English)

    ZHANGJian-ye; YANGXiu-wei

    2003-01-01

    Aim To investigate the structure of mogroside IVa isolated from traditional Chinese medicine fructus momordicae [fruits of Siraitia grosvenori (Swingle) C. Jeffery] and summarize the NMR characteristics of the structure. Methods Cormnon extraction, separafion and purification methods were used. Various NMR techniques including 1H NMR,13C NMR, DEPT, 1H-1H COSY, HSQC, HMBC, NOESY and molecular model simulated by comtmter were used to elucidate the structure. Results 1H and 13C NMR signals of mogroside IVa were assigned, and spectroscopic basis was obtained for identification of such type of compounds. Conclusion 1D and 2D NMR techniques including 1H-1H COSY, HSQC, HMBC, NOESY spectra are powerful tools for structure analysis. The structure determined by NMR methods is identical with energy minimized conformation simulated by computer.

  8. Seasonal variation of 7Be and 3H in Korean ambient air and rain

    International Nuclear Information System (INIS)

    The seasonal variation of the 7Be activities in air was monitored by a continuous sampling with a high volume air dust sampler. And also, 7Be and 3H activities in precipitation were determined. The activity level of 7Be in air was ranged from 1.94 to 47.2 Bq/m3. And 7Be in the precipitation was separated using cation exchange resin and the monthly average activity level was ranged from 0.29 to 4.77 Bq/L. 3H was analyzed using electrolytic enrichment method and activity ranged from 0.27 to 2.22 Bq/L. (author)

  9. Quadrupole hyperfine interaction and thermal stability of ZrF4.3H2O

    International Nuclear Information System (INIS)

    The quadrupole hyperfine interaction of ZrF4.3H2O is reported. This compound is observed to dehydrate to ZrF4 at 325 K. Spectra taken on cooling were observed to be time dependent, and the rehydration process involved was investigated at 293, 298 and 302 K. Contrary to what had previously been determined in HfF4.3H2O, no intermediate compound was observed to participate in the reaction investigated, thus confirming structural differences already reported to exist between these isoformulae compounds. (orig.)

  10. (/sup 3/H)forskolin- and (/sup 3/H)dihydroalprenolol-binding sites and adenylate cyclase activity in heart of rats fed diets containing different oils

    Energy Technology Data Exchange (ETDEWEB)

    Alam, S.Q.; Ren, Y.F.; Alam, B.S.

    1988-03-01

    The characteristics of the cardiac adenylate cyclase system were studied in rats fed diets containing fish oil (menhaden oil) and other oils. Adenylate cyclase activity generally was higher in cardiac homogenates and membranes of rats fed diet containing 10% menhaden oil than in the other oils. The increase in enzyme activity, especially in forskolin-stimulated activity, was associated with an increase in the concentration of the (/sup 3/H) forskolin-binding sites in cardiac membranes of rats fed menhaden oil. The beta-adrenergic receptor concentration was not significantly altered although the affinity for (/sup 3/H)dihydroalprenolol-binding was lower in membranes of rats fed menhaden oil than those fed the other oils. omega-3 fatty acids from menhaden oil were incorporated into the cardiac membrane phospholipids. The results suggest that the observed increase in myocardial adenylate cyclase activity of rats fed menhaden oil may be due to an increase in the number of the catalytic subunits of the enzyme or due to a greater availability of the forskolin-binding sites.

  11. Compartmental analysis and dosimetric aspects applied to cholesterol with {sup 3}H labeled; Analise compartimental e aspectos dosimetricos aplicados ao colesterol marcado com {sup 3}H

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Adriano dos Santos

    2015-07-01

    Cardiovascular diseases (CVDs) are one of the major reasons of death around the world according to the World Health Organization (WHO). It is well known that changes in levels of plasma lipoproteins, which are responsible for the transport of cholesterol into the bloodstream, are associated with cardiovascular diseases. For this reason to know the biokinetic parameters of plasma lipoproteins and quantifies them is important to correct and deep understanding about the diseases associated with these disorders. The main aim of this study is to provide a biokinetic model and estimate the radiometric doses for {sup 3}H-Cholesterol, a radioactive tracer widely used in physiological and metabolic studies. The model was based on [Schwartz et al. 2004] about the distribution of cholesterol by the lipoprotein and gastrointestinal model [ICRP 30, 1979]. The doses distribution in compartments of the model and other organs and tissues of a standard adult described in [ICRP 106, 2008] was calculated using MIRD method (Medical Internal Radiation Dose) and compartmental analysis using the computer program Matlab®. The dose coefficients were estimated for a standard phantom man (73 kg) described in [ICRP 60, 1991]. The estimated doses for both model and for other organs were low and did not exceed the highest dose obtained that was in the upper large intestine, as 44,8 μGy these parameters will assist in ethics committee's opinions on the use of works that use the {sup 3}H-cholesterol which radioactive tracer. (author)

  12. Distribution of 1-(3H)methyl-4-phenyl-1,2,3,6-tetrahydropyridine (3H-MPTP) in the frog

    International Nuclear Information System (INIS)

    The nigrostriatal toxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) causes selective destruction of pigmented monoaminergic neurons of the brain, mainly in the substantia nigra. Primates and amphibians, whose nerve cells contain melanin, have shown a higher sensitivity for the toxic effects of MPTP than species which are lacking neuromelanin, e.g. rodents. In the present study the distribution after intraperitoneal injection of 3H-MPTP in frogs (Rana temporaria) was studied by whole-body autoradiography. Histochemical staining methods for melanin were used in order to identify the pigment in various tissues. Melanin-containing nerve cells were present bilaterally in the ventral motor parts of the frog brain. Melanin was also found in the meninges, around the cerebral ventricles and the aqueducts, and in the eyes, skin and liver. The results from the autoradiographic study of 3H-MPTP revealed a high accumulation and retention in all melanin-containing structures up to 15 days after administration (the longest survival time). The pigmented tissues showed the highest concentration of radioactivity in the body at all survival times. The MPTP-induced destruction of pigmented tissues nerve cells may be related to the binding and storage of MPTP and/or its metabolities in neuromelanin, causing toxic cytoplasmic concentrations through the continuous release of substance from the melanin depot. (author)

  13. Effect of fluvoxamine on platelet 5-HT2A receptors as studied by [3H]lysergic acid diethylamide ([3H]LSD) binding in healthy volunteers.

    Science.gov (United States)

    Spigset, O; Mjörndal, T

    1997-09-01

    Alterations in platelet 5-HT2A receptor characteristics have been reported in major depression as well as in other psychiatric diseases, and some effort has been made to utilize platelet 5-HT2A receptor status as a biological correlate to antidepressant drug response. In order to investigate whether treatment with a selective serotonin reuptake inhibitor affects platelet 5-HT2A receptors, we have studied platelet [3H]lysergic acid diethylamide ([3H]LSD) binding in healthy subjects treated with fluvoxamine in increasing dosage once weekly for 4 weeks. After 1 week of fluvoxamine treatment (25 mg/day), both Bmax and Kd were significantly lower than before the start of the treatment (19.9 versus 25.5 fmol/mg protein, P = 0.005 for Bmax; 0.45 versus 0.93 nM, P = 0.006 for Kd). Bmax returned to baseline during week 2, whereas Kd was lower than the baseline value throughout the treatment period. After discontinuation of fluvoxamine treatment, there was a significant increase in Kd (0.50 nM before discontinuation vs. 1.14 nM after discontinuation; P = 0.001), but not in Bmax. The study demonstrates that fluvoxamine affects platelet 5-HT2A receptor status irrespective of underlying psychiatric disease, and that this effect is evident already after 1 week at a subtherapeutic fluvoxamine dose.

  14. Quinolyl analogues of norlobelane: novel potent inhibitors of [(3)H]dihydrotetrabenazine binding and [(3)H]dopamine uptake at the vesicular monoamine transporter-2.

    Science.gov (United States)

    Ding, Derong; Nickell, Justin R; Dwoskin, Linda P; Crooks, Peter A

    2015-07-01

    We have previously shown that quinolyl moieties are attractive structural replacements for the phenyl groups in lobelane. These quinolyl analogues had improved water-solubility over lobelane and retained the potent vesicular monoamine transporter-2 (VMAT-2) inhibitory properties of the parent compound, with quinlobelane (4) exhibiting potent inhibition of uptake at VMAT-2 (Ki=51nM). However, the VMAT-2 inhibitory properties of quinolyl analogues of norlobelane, which is equipotent with lobeline as an inhibitor of [(3)H]dopamine (DA) uptake at VMAT-2, have not been reported. In the current communication, we describe the synthesis of some novel des-methyl quinolyl analogues of lobelane that exhibit greater affinity (Ki=178-647nM) for the dihydrotetrabenazine binding site located on VMAT-2 compared with lobelane (Ki=970nM), norlobelane (Ki=2310nM) and quinlobelane (Ki=2640nM). The most potent compounds, 14 and 15, also exhibited inhibition of [(3)H]DA uptake at VMAT-2 (Ki=42nM) which was comparable to both lobelane (Ki=45nM) and norlobelane (Ki=43nM). Results reveal that binding affinity at VMAT-2 serves as an accurate predictor of inhibition of the function of VMAT-2 for the majority of these analogues. These novel analogues are under consideration for further development as treatments for methamphetamine abuse.

  15. [3H]PN200-110 and [3H]ryanodine binding and reconstitution of ion channel activity with skeletal muscle membranes

    International Nuclear Information System (INIS)

    Skeletal muscle membranes derived either from the tubular (T) network or from the sarcoplasmic reticulum (SR) were characterized with respect to the binding of the dihydropyridine, [3H]PN200-110, and the alkaloid, [3H]ryanodine; polypeptide composition; and ion channel activity. Conditions for optimizing the binding of these radioligands are discussed. A bilayer pulsing technique is described and is used to examine the channels present in these membranes. Fusion of T-tubule membranes into bilayers revealed the presence of chloride channels and dihydropyridine-sensitive calcium channels with three distinct conductances. The dihydropyridine-sensitive channels were further characterized with respect to their voltage dependence. Pulsing experiments indicated that two different populations of dihydropyridine-sensitive channels existed. Fusion of heavy SR vesicles revealed three different ion channels; the putative calcium release channel, a potassium channel, and a chloride channel. Thus, this fractionation procedure provides T-tubules and SR membranes which, with radioligand binding and single channel recording techniques, provide a useful tool to study the characteristics of skeletal muscle ion channels and their possible role in excitation-contraction coupling

  16. Crystal structures of [NEt3H]5[XCoIIW11O39]·3H2O (X = P or As)

    Science.gov (United States)

    Evans, H.T., Jr.; Weakley, T.J.R.; Jameson, G.B.

    1996-01-01

    The orthorhombic crystal structures of [NEt3H]5[XCoIIW11O39]·3H2O for X = P and As have been determined with data collected at room temperature, and for X = P at –100 °C, using Mo-Kα radiation. For the latter the space group is Pna21, a= 21.670(11), b= 14.805(4), c= 20.393(5)Å and Z= 4. The structure consists of chains of α-Keggin-type molecules joined by W–O–links aligned in the a-axis direction. The Co/W occupancy at the link is disordered, with 61% Co on one side and 39% on the other. Further probable disorder, by lamellar merohedral twinning on (001) and by misorientation of the triethylammonium ions, has obscured the ethyl groups and the water molecules. In polarized light the crystals are deep wine-red normal to the chains (in the b direction), but nearly colourless in the a and c directions. The structure of the arsenate is similar to that of the phosphate.

  17. Metabolic profile of normal glucose-tolerant subjects with elevated 1-h plasma glucose values

    Science.gov (United States)

    Pramodkumar, Thyparambil Aravindakshan; Priya, Miranda; Jebarani, Saravanan; Anjana, Ranjit Mohan; Mohan, Viswanathan; Pradeepa, Rajendra

    2016-01-01

    Aim: The aim of this study was to compare the metabolic profiles of subjects with normal glucose tolerance (NGT) with and without elevated 1-h postglucose (1HrPG) values during an oral glucose tolerance test (OGTT). Methodology: The study group comprised 996 subjects without known diabetes seen at tertiary diabetes center between 2010 and 2014. NGT was defined as fasting plasma glucose <100 mg/dl (5.5 mmol/L) and 2-h plasma glucose <140 mg/dl (7.8 mmol/L) after an 82.5 g oral glucose (equivalent to 75 g of anhydrous glucose) OGTT. Anthropometric measurements and biochemical investigations were done using standardized methods. The prevalence rate of generalized and central obesity, hypertension, dyslipidemia, and metabolic syndrome (MS) was determined among the NGT subjects stratified based on their 1HrPG values as <143 mg/dl, ≥143–<155 mg/dl, and ≥155 mg/dl, after adjusting for age, sex, body mass index (BMI), waist circumference, alcohol consumption, smoking, and family history of diabetes. Results: The mean age of the 996 NGT subjects was 48 ± 12 years and 53.5% were male. The mean glycated hemoglobin for subjects with 1HrPG <143 mg/dl was 5.5%, for those with 1HrPG ≥143–<155 mg/dl, 5.6% and for those with 1HrPG ≥155 mg/dl, 5.7%. NGT subjects with 1HrPG ≥143–<155 mg/dl and ≥155 mg/dl had significantly higher BMI, waist circumference, systolic and diastolic blood pressure, triglyceride, total cholesterol/high-density lipoprotein (HDL) ratio, triglyceride/HDL ratio, leukocyte count, and gamma glutamyl aminotransferase (P < 0.05) compared to subjects with 1HrPG <143 mg/dl. The odds ratio for MS for subjects with 1HrPG ≥143 mg/dl was 1.84 times higher compared to subjects with 1HrPG <143 mg/dl taken as the reference. Conclusion: NGT subjects with elevated 1HrPG values have a worse metabolic profile than those with normal 1HrPG during an OGTT. PMID:27730069

  18. File list: Oth.ALL.10.Zc3h11a.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.ALL.10.Zc3h11a.AllCell mm9 TFs and others Zc3h11a All cell types SRX188830,SRX1...88812,SRX188796 http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/assembled/Oth.ALL.10.Zc3h11a.AllCell.bed ...

  19. A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks

    DEFF Research Database (Denmark)

    Huang, Hongda; Strømme, Caroline B; Saredi, Giulia;

    2015-01-01

    , chaperones histones H3-H4. Our first structure shows an H3-H4 tetramer bound by two MCM2 histone-binding domains (HBDs), which hijack interaction sites used by nucleosomal DNA. Our second structure reveals MCM2 and ASF1 cochaperoning an H3-H4 dimer. Mutational analyses show that the MCM2 HBD is required...

  20. File list: ALL.Emb.50.AllAg.1-3h_embryos [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available ALL.Emb.50.AllAg.1-3h_embryos dm3 All antigens Embryo 1-3h embryos SRX474520,SRX474...521,SRX474527,SRX474524,SRX474523,SRX474525 http://dbarchive.biosciencedbc.jp/kyushu-u/dm3/assembled/ALL.Emb.50.AllAg.1-3h_embryos.bed ...

  1. File list: Pol.Emb.05.AllAg.2-3h_embryos [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Pol.Emb.05.AllAg.2-3h_embryos dm3 RNA polymerase Embryo 2-3h embryos SRX197567,SRX1...97569,SRX197568 http://dbarchive.biosciencedbc.jp/kyushu-u/dm3/assembled/Pol.Emb.05.AllAg.2-3h_embryos.bed ...

  2. File list: His.Emb.50.AllAg.2-3h_embryos [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available His.Emb.50.AllAg.2-3h_embryos dm3 Histone Embryo 2-3h embryos SRX197566,SRX197565,S...RX197563,SRX197562,SRX197564 http://dbarchive.biosciencedbc.jp/kyushu-u/dm3/assembled/His.Emb.50.AllAg.2-3h_embryos.bed ...

  3. Synthesis of H-3 labeled 5-fluoro-3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1 H-indole, a serotonergic agent with potential antidepressant activity

    Energy Technology Data Exchange (ETDEWEB)

    Dischino, D.D.; Combrink, K.D.; Doweyko, Lidia; Pearce, B.C.; Yevich, J.P. [Bristol-Myers Squibb Pharmaceutical Research Inst., Wallingford, CT (United States); Morimoto, Hiromi; Williams, P.G. [Lawrence Berkeley Lab., CA (United States)

    1995-12-31

    The title compound was prepared by the LiAlT{sub 4} reduction of 5-fluoro-3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-3-oxoprop yl]-1H-indole. The radiochemical purity of the product was 98.9% and the specific activity was calculated as 53.0 Ci/mmol from HPLC analyses and 55.6 Ci/mmol from {sup 3}H NMR measurements. (Author).

  4. Sulfamic acid as a reusable and green catalyst for efficient and simple synthesis of 2-substituted-2,3-dihydroquinazolin-4(1H)-ones in water or methanol

    Institute of Scientific and Technical Information of China (English)

    Amin Rostami; Ashkan Tavakoli

    2011-01-01

    A series of 2,3-dihydroquinazolin-4(1H)-ones have been synthesized in good to excellent yields through direct cyclocondensa-tion of anthranilamide and aryl aldehydes or ketones in water or methanol under mild conditions. The reaction was efficiently promoted by 10 mol% sulfamic acid (SA, H2NSO3H) and the catalyst could be recovered easily after the reactions and reused without evident loss of reactivity.

  5. Central nervous system dysfunction in a mouse model of FA2H deficiency.

    Science.gov (United States)

    Potter, Kathleen A; Kern, Michael J; Fullbright, George; Bielawski, Jacek; Scherer, Steven S; Yum, Sabrina W; Li, Jian J; Cheng, Hua; Han, Xianlin; Venkata, Jagadish Kummetha; Khan, P Akbar Ali; Rohrer, Bärbel; Hama, Hiroko

    2011-07-01

    Fatty acid 2-hydroxylase (FA2H) is responsible for the synthesis of myelin galactolipids containing hydroxy fatty acid (hFA) as the N-acyl chain. Mutations in the FA2H gene cause leukodystrophy, spastic paraplegia, and neurodegeneration with brain iron accumulation. Using the Cre-lox system, we developed two types of mouse mutants, Fa2h(-/-) mice (Fa2h deleted in all cells by germline deletion) and Fa2h(flox/flox) Cnp1-Cre mice (Fa2h deleted only in oligodendrocytes and Schwann cells). We found significant demyelination, profound axonal loss, and abnormally enlarged axons in the CNS of Fa2h(-/-) mice at 12 months of age, while structure and function of peripheral nerves were largely unaffected. Fa2h(-/-) mice also exhibited histological and functional disruption in the cerebellum at 12 months of age. In a time course study, significant deterioration of cerebellar function was first detected at 7 months of age. Further behavioral assessments in water T-maze and Morris water maze tasks revealed significant deficits in spatial learning and memory at 4 months of age. These data suggest that various regions of the CNS are functionally compromised in young adult Fa2h(-/-) mice. The cerebellar deficits in 12-month-old Fa2h(flox/flox) Cnp1-Cre mice were indistinguishable from Fa2h(-/-) mice, indicating that these phenotypes likely stem from the lack of myelin hFA-galactolipids. In contrast, Fa2h(flox/flox) Cnp1-Cre mice did not show reduced performance in water maze tasks, indicating that oligodendrocytes are not involved in the learning and memory deficits found in Fa2h(-/-) mice. These findings provide the first evidence that FA2H has an important function outside of oligodendrocytes in the CNS. PMID:21491498

  6. Data of evolutionary structure change: 1E4XI-1LO3H [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1E4XI-1LO3H 1E4X 1LO3 I H QVQLQQPGAELVKPGPSVKLSCKASGFTFTNYWMHWVKQ...EEEEEEEEEEHHHH EEEEEEE EEEEE - 0 1E4X... I 1E4XI ...6 LEU CA 230 ILE CA 298 TYR CA 288 1E4X... I 1E4XI GEILPSNGRTN

  7. Point mutation of H3/H4 histones affects acetic acid tolerance in Saccharomyces cerevisiae.

    Science.gov (United States)

    Liu, Xiangyong; Zhang, Xiaohua; Zhang, Zhaojie

    2014-10-10

    The molecular mechanism of acetic acid tolerance in yeast remains unclear despite of its importance for efficient cellulosic ethanol production. In this study, we examined the effects of histone H3/H4 point mutations on yeast acetic acid tolerance by comprehensively screening a histone H3/H4 mutant library. A total of 24 histone H3/H4 mutants (six acetic acid resistant and 18 sensitive) were identified. Compared to the wild-type strain, the histone acetic acid-resistant mutants exhibited improved ethanol fermentation performance under acetic acid stress. Genome-wide transcriptome analysis revealed that changes in the gene expression in the acetic acid-resistant mutants H3 K37A and H4 K16Q were mainly related to energy production, antioxidative stress. Our results provide novel insights into yeast acetic acid tolerance on the basis of histone, and suggest a novel approach to improve ethanol production by altering the histone H3/H4 sequences.

  8. sup(3)H labelling and toxicokinetic examination of thiocarbamate type herbicides

    International Nuclear Information System (INIS)

    A method was developed for sup(3)H labelling of secondary amines and used for the synthesis of buthylate and EPTC. The elimination of buthylate (T1/2 = 57.76 min) after its intravenous administration, intramuscular and iliac resorption, its distribution in organs, the bile secretion from the liver, and the excretion of buthylate from the organism of rats were determined. (author)

  9. A Rapid Parallel Synthesis of 2-Dialkylamino-4(3H)-quinazolinones

    Institute of Scientific and Technical Information of China (English)

    Ming Wu DING; Ying LIU; Gui Feng ZHANG; Shang Jun YANG

    2004-01-01

    2-Dialkylamino-4(3H)-quinazolinones 4 were rapidly synthesized by a solution-phase parallel synthetic method, which includes aza-Wittig reaction of iminophosphorane 1 with aromatic isocynate to give carbodiimide 2 and subsequent reaction of 2 with various aliphatic secondary amine in a parallel fashion.

  10. Superprotonic conductivity in MH(PO3H) (M = Li+, Na+, K+, Rb+, Cs+, NH4+)

    NARCIS (Netherlands)

    Zhou, Weihua; Bondarenko, Alexander S.; Boukamp, Bernard A.; Bouwmeester, Henny J.M.

    2008-01-01

    Electrical conductivity studies have been performed of solid acid phosphites MH(PO3H) with M = Li+, Na+, K+, Rb+, Cs+, NH4+. Superprotonic conductivity following a phase transition in the temperature range from 120 to 190 °C is observed for the monoclinic forms, including Na+, K+, Rb+, Cs+ and NH4+

  11. 3H-metaraminol releasing action of mescaline from rat hypothalamus in vitro.

    Science.gov (United States)

    Gulati, O D; Shah, N S

    1977-11-15

    The amine releasing action of mescaline was investigated in rat isolated hypothalamus labeled with 3H-metaraminol. Mescaline had no effect on the uptake of 3H-metaraminol but produced its release in a concentration-related manner. 4 x 10(-4) M mescaline, which produced submaximal effects was used for subsequent experiments. 3 x 10(-5) M cocaine had no effect on the 3H-metaraminol releasing action of mescaline. Mescaline was fully effective in Ca2+-free medium while 6 x 10(-2) M KCl was ineffective. 3 x 10(-7) M tetrodotoxin or 6 x 10(-5) M lidocaine partially blocked mescaline-induced release but substantially or completely blocked 3 x 10(-2) M KCl-induced release. Prior exposure of hypothalamus to 3 x 10(-4) M tyramine reduced the releasing action of mescaline. Thus, mescaline appears to release 3H-metaraminol both by Ca2+-independent (tyramine-like) and Ca2+-dependent (lidocaine-sensitive) mechanisms. 3 x 10(-4) M tyramine and 6 x 10(-2) M KCl released 14C from control hypothalamus labelled with 14C-mescaline, but not from reserpinized hypothalamus. The amounts of 14C recovered in 14C-mescaline labeled control and reserpinized hypothalamus at the end of 50 min of efflux were similar suggesting a poor retention of 14C-mescaline by storage particles.

  12. Polycyclic 4(3h)-quinazolinones survey of biological properties (Part II).

    Science.gov (United States)

    Nawrocka, W; Stanko, J J

    2001-01-01

    The authors present examples of polycyclic 4(3H)-quinazolinones of natural origin. Structures and syntheses of pharmacologically active (antibacterial, antifungal, antihypertensive and cardiovascular, antiasthmatic, anti-inflamatory, CNS-depresant, secretion of gastric acid inhibitors) compounds are described.

  13. Regulation of (/sup 3/H)GABA release from strips of guinea pig urinary bladder

    Energy Technology Data Exchange (ETDEWEB)

    Shirakawa, J.; Taniyama, K.; Iwai, S.; Tanaka, C.

    1988-12-01

    The presence of receptors that regulate the release of gamma-aminobutyric acid (GABA) was studied in strips of the guinea pig urinary bladder. GABA (10(-8)-10(-5) M) and muscimol (10(-8)-10(-5) M), but not baclofen (10(-5) M), reduced the Ca2+-dependent, tetrodotoxin-resistant release of (/sup 3/H)GABA evoked by high K+ from the urinary bladder strips preloaded with (/sup 3/H)GABA. The inhibitory effect of muscimol was antagonized by bicuculline and potentiated by diazepam, clonazepam, and pentobarbital sodium. The potentiating effect of clonazepam was antagonized by Ro 15-1788. Acetylcholine (ACh) inhibited the high K+-evoked release of (/sup 3/H)GABA. The inhibitory effect of ACh was antagonized by atropine sulfate and pirenzepine but not by hexamethonium. Norepinephrine (NE) inhibited the evoked release of (/sup 3/H)GABA. The inhibitory effect of NE was mimicked by clonidine, but not by phenylephrine, and was antagonized by yohimbine but not by prazosin. These results provide evidence that the release of GABA from strips of guinea pig urinary bladder is regulated via the bicuculline-sensitive GABAA receptor, M1-muscarinic, and alpha 2-adrenergic receptors.

  14. Regulation of [3H]GABA release from strips of guinea pig urinary bladder

    International Nuclear Information System (INIS)

    The presence of receptors that regulate the release of gamma-aminobutyric acid (GABA) was studied in strips of the guinea pig urinary bladder. GABA (10(-8)-10(-5) M) and muscimol (10(-8)-10(-5) M), but not baclofen (10(-5) M), reduced the Ca2+-dependent, tetrodotoxin-resistant release of [3H]GABA evoked by high K+ from the urinary bladder strips preloaded with [3H]GABA. The inhibitory effect of muscimol was antagonized by bicuculline and potentiated by diazepam, clonazepam, and pentobarbital sodium. The potentiating effect of clonazepam was antagonized by Ro 15-1788. Acetylcholine (ACh) inhibited the high K+-evoked release of [3H]GABA. The inhibitory effect of ACh was antagonized by atropine sulfate and pirenzepine but not by hexamethonium. Norepinephrine (NE) inhibited the evoked release of [3H]GABA. The inhibitory effect of NE was mimicked by clonidine, but not by phenylephrine, and was antagonized by yohimbine but not by prazosin. These results provide evidence that the release of GABA from strips of guinea pig urinary bladder is regulated via the bicuculline-sensitive GABAA receptor, M1-muscarinic, and alpha 2-adrenergic receptors

  15. Rapid Screening for Insecticidal Compounds Using [3H] EBOB Binding Assay

    Institute of Scientific and Technical Information of China (English)

    Ju Xiulian(巨修练); Fan Zhijin

    2004-01-01

    Binding assay is a convenient, simple, inexpensive, and rapid method that can be used for rapid screening insecticidal compounds. The present study examines 6 compounds for their inhibition of [3H] EBOB bound to housefly-head membranes, of which 3 compounds have potency for housefly-head membranes.

  16. Expression of the capacity to release [3H]norepinephrine by neural crest cultures

    International Nuclear Information System (INIS)

    Cultures of trunk neural crest cells from quail embryos were tested for their ability to release [3H]norepinephrine [(3H]NE) in response to depolarization. After 7 days in vitro, exposure of the cultures to either the alkaloid veratridine or 40 mM K+ results in the evoked release of [3H]NE. The release evoked by veratridine is blocked in the presence of tetrodotoxin. The release evoked by increased K+ is blocked by the calcium antagonist cobalt. Release in response to the nicotinic cholinergic agonist 1,1-dimethyl-4-phenylpiperazine was also observed. The amount of evoked release is highly correlated with the number of histochemically demonstrable catecholamine-containing cells in a given culture. Autoradiography reveals that the radioactivity taken up by these cultures is located in a subpopulation of cells whose morphology resembles that of the histochemically detectable catecholamine-containing cell population. Whereas capacity for the release of [3H] NE is readily detectable after 7 days in vitro, it is detectable only with difficulty after 4 days in vitro. There is a greater than 6-fold increase in uptake capacity over the period of 4 to 7 days in vitro. These results demonstrate that neural crest cultures grown without their normal synaptic inputs or targets can exhibit the capacity for stimulus secretion coupling characteristic of synaptic neurotransmitter release

  17. Minority and mode conversion heating in (He-3)-H JET plasmas

    NARCIS (Netherlands)

    Van Eester, D.; Lerche, E.; Johnson, T. J.; Hellsten, T.; Ongena, J.; Mayoral, M. L.; Frigione, D.; Sozzi, C.; Calabro, G.; Lennholm, M.; Beaumont, P.; Blackman, T.; Brennan, D.; Brett, A.; Cecconello, M.; Coffey, I.; Coyne, A.; Crombe, K.; Czarnecka, A.; Felton, R.; Johnson, M. G.; Giroud, C.; Gorini, G.; Hellesen, C.; Jacquet, P.; Kazakov, Y.; Kiptily, V.; Knipe, S.; Krasilnikov, A.; Lin, Y.; Maslov, M.; Monakhov, I.; Noble, C.; Nocente, M.; Pangioni, L.; Proverbio, I.; Stamp, M.; Studholme, W.; Tardocchi, M.; Versloot, T. W.; Vdovin, V.; Whitehurst, A.; Wooldridge, E.; Zoita, V.

    2012-01-01

    Radio frequency (RF) heating experiments have recently been conducted in JET (He-3)-H plasmas. This type of plasmas will be used in ITER's non-activated operation phase. Whereas a companion paper in this same PPCF issue will discuss the RF heating scenario's at half the nominal magnetic fi

  18. Thiazide diuretic drug receptors in rat kidney: Identification with ( sup 3 H)metolazone

    Energy Technology Data Exchange (ETDEWEB)

    Beaumont, K.; Vaughn, D.A.; Fanestil, D.D. (Univ. of California, San Diego, La Jolla (USA))

    1988-04-01

    Thiazides and related diuretics inhibit NaCl reabsorption in the distal tubule through an unknown mechanism. The authors report here that ({sup 3}H)metolazone, a diuretic with a thiazide-like mechanism of action, labels a site in rat kidney membranes that has characteristics of the thiazide-sensitive ion transporter. ({sup 3}H)Metolazone bound with high affinity to a site with a density of 0.717 pmol/mg of protein in kidney membranes. The binding site was localized to the renal cortex, with little or not binding in other kidney regions and 11 other tissues. The affinities of thiazide-type diuretics for this binding site were significantly correlated with their clinical potency. Halide anions specifically inhibited high-affinity binding of ({sup 3}H)metolazone to this site. ({sup 3})Metolazone also bound with lower affinity to sites present in kidney as well as in liver, testis, lung, brain, heart, and other tissues. Calcium antagonists and certain smooth muscle relaxants had K{sub i} values of 0.6-10 {mu}M for these low-affinity sites, which were not inhibited by most of the thiazide diuretics tested. Properties of the high-affinity ({sup 3}H)metolazone binding site are consistent with its identity as the receptor for thiazide-type diuretics.

  19. Training increases the concentration of [3H]ouabain-binding sites in rat skeletal muscle

    DEFF Research Database (Denmark)

    Kjeldsen, K; Richter, Erik; Galbo, H;

    1986-01-01

    ]ouabain-binding sites in rat hindlimb muscles was up to 46% (P less than 0.001) higher than in those obtained from age-matched controls. Whereas muscle Na+, K+ contents remained unchanged, the concentration of citrate synthase increased by up to 76% (P less than 0.001). Training induced no change in the [3H...

  20. Preparation of high specific activity [15,16-{sup 3}H]-7-benzylidenenal trexone

    Energy Technology Data Exchange (ETDEWEB)

    Lewin, A.H.; Lamb, P.B. [Research Triangle Inst., Research Triangle Park, NC (United States)

    1996-02-01

    The preparation of the {delta}{sub 1}-specific ligand 7-benzylidenenaltrexone (BNTX), labeled with tritium at high specific activity (14.4 Ci/mmol) was prepared in 33% yield and >98% purity by the aldol condensation of high specific activity [15,16-{sup 3}H]naltrexone with benzaldehyde at high dilution. (Author).

  1. Study on ethyl groups with two different orientations in [N(C2H5)4]2CuBr4

    Science.gov (United States)

    Lim, Ae Ran

    2016-06-01

    The crystal structure and phase transition temperature of [N(C2H5)4]2CuBr4 are studied using X-ray diffraction and differential scanning calorimetry (DSC); measurements revealed a tetragonal structure and the two phase transition temperatures TC of 204 K and 255.5 K. The structural geometry near TC is discussed in terms of the chemical shifts for 1H magic angle spinning (MAS) nuclear magnetic resonance (NMR) and 13C cross-polarization (CP)/MAS NMR. The two inequivalent ethyl groups are distinguishable by the 13C NMR spectrum. The molecular motions are discussed in terms of the spin-lattice relaxation times T1ρ in the rotating frame for 1H MAS NMR and 13C CP/MAS NMR. The T1ρ results reveal that the ethyl groups undergo tumbling motion, and furthermore that the ethyl groups are highly mobile.

  2. Synthesis and conformational analysis of new derivatives of 7-chloro-1,3-dihydro-5-phenyl-2h-1,4-benzodiazepine-2-one

    CERN Document Server

    Imanzadeh, G H; Sadra, Y

    2011-01-01

    1,4-benzodiazepine-2-ones and their derivatives are prominent structures in medicinal chemistry. These biomolecules have wide biological activities and posses therapeutic applications. In this works, we introduce new derivatives of 1,4-benzodiazepine-2-ones which are synthesized using michael addition reaction of 7-chloro- 1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-ones with fumaric esters that matches with green chemistry protocols. The structures of all products are confirmed by FT-IR, 1H-NMR, 13C-NMR and MASS spectroscopy. Since the stereochemistry of 1,4-benzo diazepine-2-ones is important, we study the most stable conformer of one of the products as a model for conformational analysis by hyper chem soft ware and semi empirical AM1 program. Also, using the 1H-NMR spectrum, we investigate the produced diastereomers of one of products as a model.

  3. Design, Synthesis, Fluorescence Properties and Antibacterial Activities of New 8-Chloro-3-Alkyl-3H-Pyrazolo[4,3-a]acridine-11-Carbonitriles

    Energy Technology Data Exchange (ETDEWEB)

    Rahmani, Zeynab; Pordel, Mehdi; Davoodnia, Abolghasem [Islamic Azad Univ., Mashhad (Iran, Islamic Republic of)

    2014-02-15

    The treatment of alkylated nitro derivatives of indazole with 2-(4-chlorophenyl)acetonitrile under basic conditions gave the new 8-chloro-3-alkyl-3H-pyrazolo[4,3-a]acridine-11-carbonitriles via the nucleophilic substitution of hydrogen which proceeds at room temperature with concomitant cyclisation in fairly good yields. The structures of all newly synthesized compounds were confirmed by IR, {sup 1}H NMR, {sup 13}C NMR and mass spectral data. Fluorescence experimental results of all newly synthesized compounds revealed remarkable photoluminescence properties and strong green fluorescence properties. Also, the new compounds exhibited potent antibacterial activity and their antibacterial activity (MIC) against Gram positive (Staphylococcuse aureus methicillin resistant S. aureus and Bacillus subtilis) and negative bacterial (Pseudomonas aeruginosa and Escherichia coli) species were determined.

  4. Crystal structure of rac-3-[2,3-bis-(phenyl-sulfan-yl)-3H-indol-3-yl]propanoic acid.

    Science.gov (United States)

    Noland, Wayland E; Brown, Christopher D; Bisel, Amanda M; Schneerer, Andrew K; Tritch, Kenneth J

    2015-11-01

    The title compound, C23H19NO2S2, was obtained as an unexpected regioisomer from an attempted synthesis of an inter-mediate for a substituent-effect study on ergot alkaloids. This is the first report of a 1H-indole mono-thio-ating at the 2- and 3-positions to give a 3H-indole. In the crystal, the acid H atom is twisted roughly 180° from the typical carb-oxy conformation and forms centrosymmetric O-H⋯N hydrogen-bonded dimers with the indole N atom of an inversion-related mol-ecule. Together with a weak C-H⋯O hydrogen bond involving the carbonyl O atom, chains are formed along [100]. PMID:26594523

  5. Effect of epileptogenic agents on the incorporation of /sup 3/H-glycine into proteins in the cat's cerebral cortex

    Energy Technology Data Exchange (ETDEWEB)

    Rojik, I.; Feher, O.

    1982-06-01

    Filter paper strips soaked in /sup 3/H-glycine solution were applied to acoustic cortex of cats, anaesthetized with Nembutal and pretreated with epileptogenic agents (Metrazol, G-penicillin, and 3-amino-pyridine) and cycloheximide. The untreated contralateral hemisphere served as control. After 1 h incubation, both cortical samples were excised simultaneously and fixed in Bouin solution for autoradiography. Incorporation was blocked by cycloheximide. There was no glycine incorporation on the penicillin-treated side, while pyramidal cells were intensively labelled in layers II-V of the mirror focus. 3-Aminopyridine produced the same result. Metrazol as convulsant proved to be far weaker than the previous two. The intensity of incorporation was significantly more intensive in the mirror focus than in the primary one. Penicillin and 3-aminopyridine, while provoking cortical seizures, seem to inhibit glycine incorporation into a neuron-specific, function-dependent protein contained by the labelled cells in the autoradiogram.

  6. Um estudo teórico relativo à não-linearidade da ligação de hidrogênio em sistemas heterocíclicos C2H4O-C2H2 e C2H4S-C2H2 A theoretical study about the non-linearity of the hydrogen bonding in the C2H4O-C2H2 and C2H4S-C2H2 heterocyclic systems

    Directory of Open Access Journals (Sweden)

    Boaz G. Oliveira

    2007-10-01

    Full Text Available B3LYP/6-31G(d,p calculations were used to determine the optimized geometries of the C2H4O-C2H2 and C2H4S-C2H2 heterocyclic hydrogen-bonded complexes. Results of structural, rotational, electronic and vibrational parameters indicate that the hydrogen bonding is non-linear due to the pi bond of the acetylene interacting with the hydrogen atoms of the methyl groups of the three-membered rings. Moreover, the theoretical investigation showed that the non-linearity is much more intriguing, since there is a structural disjunction on the acetylene within the heterocyclic system.

  7. Rolipram depresses [{sup 3}H]2-deoxyglucose uptake in mouse brain and heart in vivo

    Energy Technology Data Exchange (ETDEWEB)

    Ishikawa, Megumi; Hosoi, Rie; Kobayashi, Kaoru; Inoue, Osamu [Department of Medical Physics, School of Allied Health Sciences, Faculty of Medicine, Osaka University, 1-7 Yamadaoka, Suita-shi, Osaka (Japan); Nishimura, Tsunehiko [Department of Radiology, Kyoto Prefectural University of Medicine, Kyoto (Japan)

    2002-09-01

    The effects of systemic administration of rolipram, a selective phosphodiesterase type 4 inhibitor, on [{sup 3}H]2-deoxyglucose (DG) uptake in brain and peripheral tissues were examined. Rolipram significantly and dose-dependently decreased [{sup 3}H]DG uptake in brain, heart and skeletal muscle. In contrast, the radioactivity concentrations in the plasma of rolipram-treated mice were significantly higher than those of control mice at all times after injection of the tracer. In the kinetic study, the initial uptake of [{sup 3}H]DG in brain was decreased by rolipram, whereas no significant differences were observed in the uptake in heart and skeletal muscle. However, radioactivity concentrations in the brain, heart and skeletal muscle 30 min after the injection of [{sup 3}H]DG were significantly lowered by rolipram to about 60%, 10% and 10% of control values, respectively. The uptake of [{sup 13}N]ammonia in brain and heart of rolipram-treated mice was slightly decreased, which indicated that rolipram diminished both cerebral and cardiac blood flow. These results indicate that the phosphorylation process via hexokinase rather than the transport of [{sup 3}H]DG might be depressed by rolipram. Together with the previous observations that inhibition of protein kinase A (PKA) markedly enhanced [{sup 14}C]DG uptake in rat brain, these results indicate an important role of the cAMP/PKA systems in the regulation of glucose metabolism in the living brain as well as in peripheral tissues such as the heart and skeletal muscle. (orig.)

  8. Excretion of (3H)prednisolone in clinically normal and experimentally infected bovine udders

    Energy Technology Data Exchange (ETDEWEB)

    Geleta, J.N.; Shimoda, W.; Mercer, H.D.

    1984-08-01

    The excretion rate of (3H)prednisolone from clinically normal and experimentally infected udders of 10 lactating cows was studied. Each quarter of 6 cows was injected with a single dose of (3H)prednisolone mixed with non-radioactive prednisolone equivalent to 10 mg in 10 ml of peanut oil base. Each of the remaining 4 cows was given 40 mg of nonradioactive prednisolone and (3H)prednisolone in 60% ethanol IV. Control and postadministration samples of blood, milk, and urine were examined for radioactivity. The effects of (3H)prednisolone were evaluated in the same cows, first in clinically normal udders, then 2 weeks later in udders experimentally infected with Streptococcus agalactiae. Absorption and elimination of prednisolone were the same before and after induced infection. Within 3 hours after intramammary injection, 95% of the labeled prednisolone was absorbed systemically, less than 5% of this dose was recovered in milk, and 29% was excreted in urine. After IV injection of (3H)prednisolone, less than 0.2% of the total radioactivity was recovered in milk and less than 46% was excreted in urine. Clinical mastitis induced by S agalactiae was moderate. Circulating blood leukocytes and somatic cells in the milk of normal cows remained essentially unchanged. The leukocyte response to induced infection was rapid in blood and milk. Large numbers of leukocytes were noticed in the milk and a severe leukopenia occurred. Prednisolone treatment did not alter the number of somatic cells in milk or reduce the inflammatory response of experimentally infected cows.

  9. Excretion of [3H]prednisolone in clinically normal and experimentally infected bovine udders

    International Nuclear Information System (INIS)

    The excretion rate of [3H]prednisolone from clinically normal and experimentally infected udders of 10 lactating cows was studied. Each quarter of 6 cows was injected with a single dose of [3H]prednisolone mixed with non-radioactive prednisolone equivalent to 10 mg in 10 ml of peanut oil base. Each of the remaining 4 cows was given 40 mg of nonradioactive prednisolone and [3H]prednisolone in 60% ethanol IV. Control and postadministration samples of blood, milk, and urine were examined for radioactivity. The effects of [3H]prednisolone were evaluated in the same cows, first in clinically normal udders, then 2 weeks later in udders experimentally infected with Streptococcus agalactiae. Absorption and elimination of prednisolone were the same before and after induced infection. Within 3 hours after intramammary injection, 95% of the labeled prednisolone was absorbed systemically, less than 5% of this dose was recovered in milk, and 29% was excreted in urine. After IV injection of [3H]prednisolone, less than 0.2% of the total radioactivity was recovered in milk and less than 46% was excreted in urine. Clinical mastitis induced by S agalactiae was moderate. Circulating blood leukocytes and somatic cells in the milk of normal cows remained essentially unchanged. The leukocyte response to induced infection was rapid in blood and milk. Large numbers of leukocytes were noticed in the milk and a severe leukopenia occurred. Prednisolone treatment did not alter the number of somatic cells in milk or reduce the inflammatory response of experimentally infected cows

  10. A study of the C3H2 isomers and isotopologues: first interstellar detection of HDCCC

    Science.gov (United States)

    Spezzano, S.; Gupta, H.; Brünken, S.; Gottlieb, C. A.; Caselli, P.; Menten, K. M.; Müller, H. S. P.; Bizzocchi, L.; Schilke, P.; McCarthy, M. C.; Schlemmer, S.

    2016-02-01

    The partially deuterated linear isomer HDCCC of the ubiquitous cyclic carbene (c-C3H2) was observed in the starless cores TMC-1C and L1544 at 96.9 GHz, and a confirming line was observed in TMC-1 at 19.38 GHz. To aid the identification in these narrow line sources, four centimetre-wave rotational transitions (two in the previously reported Ka = 0 ladder and two new ones in the Ka = 1 ladder) and 23 transitions in the millimetre band between 96 and 272 GHz were measured in high-resolution laboratory spectra. Ten spectroscopic constants in a standard asymmetric top Hamiltonian allow the main transitions of astronomical interest in the Ka ≤ 3 rotational ladders to be calculated to within 0.1 km s-1 in radial velocity up to 400 GHz. Conclusive identification of the two astronomical lines of HDCCC was provided by the VLSR, which is the same as for the normal isotopic species (H2CCC) in the three narrow line sources. In these sources, deuterium fractionation in singly substituted H2CCC (HDCCC/H2CCC ~4-19%) is comparable to that in c-C3H2 (c-C3H2/c-C3HD ~5-17%) and similarly in doubly deuterated c-C3H2 (c-C3D2/c-C3HD ~3-17%), implying that the efficiency of the deuteration processes in the H2CCC and c-C3H2 isomers are comparable in dark clouds. Based on observations carried out with the IRAM 30 m Telescope. IRAM is supported by INSU/CNRS (France), MPG (Germany) and IGN (Spain).

  11. The role of isovalency in the reactions of the cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H) radicals with unsaturated hydrocarbons acetylene (C2H2) and ethylene (C2H4).

    Science.gov (United States)

    Parker, D S N; Mebel, A M; Kaiser, R I

    2014-04-21

    The classification of chemical reactions based on shared characteristics is at the heart of the chemical sciences, and is well exemplified by Langmuir's concept of isovalency, in which 'two molecular entities with the same number of valence electrons have similar chemistries'. Within this account we further investigate the ramifications of the isovalency of four radicals with the same X(2)Σ(+) electronic structure - cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H), and their reactions with simple prototype hydrocarbons acetylene (C2H2) and ethylene (C2H4). The fact that these four reactants own the same X(2)Σ(+) electronic ground state should dictate the outcome of their reactions with prototypical hydrocarbons holding a carbon-carbon triple and double bond. However, we find that other factors come into play, namely, atomic radii, bonding orbital overlaps, and preferential location of the radical site. These doublet radical reactions with simple hydrocarbons play significant roles in extreme environments such as the interstellar medium and planetary atmospheres (CN, SiN and C2H), and combustion flames (C2H, BO). PMID:24418936

  12. Efficiency of Atrazine Degradation by O3 /H2O2%O3/H2O2降解Atrazine效能研究

    Institute of Scientific and Technical Information of China (English)

    李绍峰; 梁媛; 张荣全; 叶非

    2009-01-01

    The endocrine disrupter Atrazine was oxidized by O3/H2O2 system and the products were analyzed to assess the degradation efficiency of Atrazine.When it's initial content was 2 mg/L and O3 dosage was 7.5 mg/L,Atrazine was removed about 27.2% after 5 minutes.Under the same condition,H2O2/O3 molar ratio was 0.75,Atrazine maximum removal rate reached 96.5%,which suggested that Atrazine could be degraded by O3/H2O2 system effectively.Ion Chromatography(IC) analysis showed that concentrations of chloride and nitrate ions were increasing along with the Atrazine content decreasing.Gas Chromatography-Mass spectrometry (GC-MS) and Liquid Chromatography-Mass spectrometry chromatograms (LC-MS) analyzing illuminated the existence of de-ethyl-atrazine,de-isopropyl-atrazine and de-chloro-atrazine,which indicated the Atrazine could not be destroyed completely by O3/H2O2 system.Consequently,it should be combined with GAC (Granular Activated Carbon) or other techniques while used as primary treatment unit or emergency measure.%利用O3/H2O2降解莠去津,对氧化产物进行了色谱分析,以评价该体系降解莠去津效能.莠去津初始浓度2 mg/L,7.5 mg/L的O3单独氧化去除率为27.2%;相同O3投量下,H2O2/O3摩尔比0.75时,5 min莠去津的去除率最高可达96.5%,表明H2O2/O3体系对莠去津的去除效果良好,降解速度快.以离子色谱对产物的离子进行分析,莠去津浓度下降的同时,硝酸根和氯离子浓度增高.GC-MS检测的产物和对LC-MS谱图的分析表明,有机产物中存在脱乙基、脱异丙基和脱氯莠去津,说明H2O2/O3并不能彻底氧化莠去津,因此工程中作为主要去除单元或突发性污染事件的应急手段可能还需要与活性炭等单元联用.

  13. Stereoelectronic effects on 1H nuclear magnetic resonance chemical shifts in methoxybenzenes

    DEFF Research Database (Denmark)

    Lambert, Maja; Olsen, Lars; Jaroszewski, Jerzy W

    2006-01-01

    Investigation of all O-methyl ethers of 1,2,3-benzenetriol and 4-methyl-1,2,3-benzenetriol (3-16) by 1H NMR spectroscopy and density-functional calculations disclosed practically useful conformational effects on 1H NMR chemical shifts in the aromatic ring. While the conversion of phenol (2) to an...

  14. Evaluation of CACNA1H in European patients with childhood absence epilepsy

    NARCIS (Netherlands)

    Chioza, Barry; Everett, Kate; Aschauer, Harald; Brouwer, Oebele; Callenbach, Petra; Covanis, Athanasios; Dulac, Olivier; Durner, Martina; Eeg-Olofsson, Orvar; Feucht, Martha; Friis, Mogens; Heils, Armin; Kjeldsen, Marianne; Larsson, Katrin; Lehesjoki, Anna-Elina; Nabbout, Rima; Olsson, Ingrid; Sander, Thomas; Siren, Auli; Robinson, Robert; Rees, Michele; Gardiner, R. Mark

    2006-01-01

    CACNA1H was evaluated in a resource of Caucasian European patients with childhood absence epilepsy by linkage analysis and typing of sequence variants previously identified in Chinese patients. Linkage analysis of 44 pedigrees provided no evidence for a locus in the CACNA1H region and none of the Ch

  15. Glycerol mediated synthesis of 5-substituted 1H-tetrazole under catalyst free conditions

    Institute of Scientific and Technical Information of China (English)

    Kamalakar P.Nandre; Jagdish K.Salunke; Jitendra P.Nandre; Vijay S.Patil; Amul U.Borse; Sidhanath V.Bhosale

    2012-01-01

    We have developed simple,cost effective and environmentally benign protocol for the synthesis of 5-substituted 1H-tetrazoles via [2,3] cycloaddition reaction from organic nitriles and sodium azide in glycerol under catalyst free condition.The corresponding 5-substituted 1H-tetrazoles were obtained with good to excellent yields (68-95%).

  16. {sup 1}H MR spectroscopy in histopathological subgroups of mesial temporal lobe epilepsy

    Energy Technology Data Exchange (ETDEWEB)

    Hajek, Milan; Dezortova, Monika [Institute for Clinical and Experimental Medicine, MR Unit, Department of Diagnostic and Interventional Radiology, Prague (Czech Republic); Krsek, Pavel; Komarek, Vladimir [Charles University, Department of Pediatric Neurology, Prague 5 (Czech Republic); Marusic, Petr; Tomasek, Martin; Krijtova, Hana [Charles University, Department of Neurology, Prague (Czech Republic); Zamecnik, Josef [Charles University, Department of Pathology and Molecular Medicine, Prague (Czech Republic); Kyncl, Martin [Charles University, Department of Radiology, Prague (Czech Republic)

    2009-02-15

    The aim of the study was to analyze the lateralizing value of proton magnetic resonance spectroscopy ({sup 1}H MRS) in histopathologically different subgroups of mesial temporal lobe epilepsies (MTLE) and to correlate results with clinical, MRI and seizure outcome data. A group of 35 patients who underwent resective epilepsy surgery was retrospectively studied. Hippocampal {sup 1}H MR spectra were evaluated. Metabolite concentrations were obtained using LCModel and NAA/Cr, NAA/Cho, NAA/(Cr+Cho), Cho/Cr ratios and coefficients of asymmetry were calculated. MRI correctly lateralized 89% of subjects and {sup 1}H MRS 83%. MRI together with {sup 1}H MRS correctly lateralized 100% of patients. Nineteen subjects had 'classical' hippocampal sclerosis (HS), whereas the remaining 16 patients had 'mild' HS. Nineteen patients had histopathologically proven malformation of cortical development (MCD) in the temporal pole; 16 subjects had only HS. No difference in {sup 1}H MRS findings was found between patients in different histopathological subgroups of MTLE. Our results support the hypothesis that {sup 1}H MRS abnormalities do not directly reflect histopathological changes in MTLE patients. Subjects with non-lateralized {sup 1}H MRS abnormalities did not have a worse postoperative seizure outcome. We found no significant impact of contralateral {sup 1}H MRS abnormality on post-surgical seizure outcome. (orig.)

  17. 1H MR spectroscopy in histopathological subgroups of mesial temporal lobe epilepsy

    International Nuclear Information System (INIS)

    The aim of the study was to analyze the lateralizing value of proton magnetic resonance spectroscopy (1H MRS) in histopathologically different subgroups of mesial temporal lobe epilepsies (MTLE) and to correlate results with clinical, MRI and seizure outcome data. A group of 35 patients who underwent resective epilepsy surgery was retrospectively studied. Hippocampal 1H MR spectra were evaluated. Metabolite concentrations were obtained using LCModel and NAA/Cr, NAA/Cho, NAA/(Cr+Cho), Cho/Cr ratios and coefficients of asymmetry were calculated. MRI correctly lateralized 89% of subjects and 1H MRS 83%. MRI together with 1H MRS correctly lateralized 100% of patients. Nineteen subjects had ''classical'' hippocampal sclerosis (HS), whereas the remaining 16 patients had ''mild'' HS. Nineteen patients had histopathologically proven malformation of cortical development (MCD) in the temporal pole; 16 subjects had only HS. No difference in 1H MRS findings was found between patients in different histopathological subgroups of MTLE. Our results support the hypothesis that 1H MRS abnormalities do not directly reflect histopathological changes in MTLE patients. Subjects with non-lateralized 1H MRS abnormalities did not have a worse postoperative seizure outcome. We found no significant impact of contralateral 1H MRS abnormality on post-surgical seizure outcome. (orig.)

  18. The complete genome sequence of the Arcobacter butzleri cattle isolate 7h1h

    Science.gov (United States)

    Arcobacter butzleri strain 7h1h was isolated in the UK from a clinically healthy dairy cow. The genome of this isolate was sequenced to completion. Here we present the annotation and analysis of the completed 7h1h genome, as well as comparison of this genome to the existing A. butzleri RM4018 and ED...

  19. A Classical Approach in Simple Nuclear Fusion Reaction 1H2 + 1H3 using Two-Dimension Granular Molecular Dynamics Model

    CERN Document Server

    Viridi, Sparisoma; Waris, Abdul; Perkasa, Yudha Satya

    2011-01-01

    Molecular dynamics in 2-D accompanied by granular model provides an opportunity to investigate binding between nuclei particles and its properties that arises during collision in a fusion reaction. A fully classical approach is used to observe the influence of initial angle of nucleus orientation to the product yielded by the reaction. As an example, a simplest fusion reaction between 1H2 and 1H3 is observed. Several products of the fusion reaction have been obtained, even the unreported ones, including temporary 2He4 nucleus.

  20. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    International Nuclear Information System (INIS)

    Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu0.5L]n (1), [Cu(HL)2Cl2]n (2), [Cu(HL)2Cl2(H2O)] (3), [Cu(L)2(H2O)]n (4) and [Cu(L)(phen)(HCO2)]n (5), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl-, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units –Cu–O–Cu–O– are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound 1 exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated. - Graphical abstract: Copper(II) compounds with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid, were prepared, structurally characterized and investigated for antifungal activity. - Highlights: • The title compounds formed by thermodynamics and thermokinetics. • The five compounds show higher inhibition percentage than reactants. • The structure effect on the antifungal activity