WorldWideScience

Sample records for 2h 3h 5h

  1. 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.

  2. 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.

  3. Characterization Results for the 2014 HTF 3H & 2H Evaporator Overhead Samples

    Energy Technology Data Exchange (ETDEWEB)

    Washington, A. [Savannah River Site (SRS), Aiken, SC (United States)

    2015-05-11

    This report tabulates the radiochemical analysis of the 3H and 2H evaporator overhead samples for 137Cs, 90Sr, and 129I to meet the requirements in the Effluent Treatment Project (ETP) Waste Acceptance Criteria (WAC) (rev. 6). This report identifies the sample receipt date, preparation method, and analysis performed in the accumulation of the listed values. All data was found to be within the ETP WAC (rev. 6) specification for the Waste Water Collection Tanks (WWCT).

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

    CERN Document Server

    Aubert, B; Boutigny, D; Couderc, F; Karyotakis, Yu; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Graugès-Pous, E; 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; 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; Schröder, T; 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; Weinstein, A J R; Foulkes, S D; Gary, J W; Long, O; 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; Cunha, A; Dahmes, B; Hong, T M; 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; Blanc, F; Bloom, P; Chen, S; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Ruddick, W O; Smith, J G; Ulmer, K A; Zhang, J; Zhang, L; Chen, A; Eckhart, E A; Harton, J L; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q; Spaan, B; Altenburg, D; Brandt, T; Brose, J; Dickopp, M; Feltresi, E; Hauke, A; Lacker, H M; Nogowski, R; Otto, S; Petzold, A; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Bernard, D; Bonneaud, G R; Grenier, P; Schrenk, S; Thiebaux, C; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; 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; 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; Marks, J; Uwer, 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; Arnaud, N; Davier, M; Giroux, X; Grosdidier, G; Höcker, A; Le Diberder, F R; Lepeltier, V; Lutz, A M; Petersen, T C; Plaszczynski, S; Schune, M H; 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; Touramanis, C; Cormack, C M; Di Lodovico, F; Brown, C L; 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; Hodgkinson, M C; Lafferty, G D; Williams, J C; Chen, C; Farbin, A; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Kofler, R; Koptchev, V B; Moore, T B; Saremi, S; Stängle, H; Willocq, S; Cowan, R; Koeneke, K; Sciolla, G; Sekula, S J; Taylor, F; Yamamoto, R K; 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; Fabozzi, F; Gatto, C; 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; Benelli, G; 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; Lu, M; 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; 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; Roos, L; Therin, G; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Biasini, M; Covarelli, R; Pioppi, M; Angelini, C; Batignani, G; Bettarini, S; Bondioli, M; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Morganti, M; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Simi, G; 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; D'Orazio, A; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Pierini, M; Piredda, G; Polci, F; Safai-Tehrani, F; Voena, C; Christ, S; Schröder, H; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B J; 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; Abe, T; Allen, M; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmüller, O L; Claus, R; Convery, M R; Cristinziani, M; De Nardo, Gallieno; Dingfelder, J C; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W M; 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; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Soha, A; Stelzer, J; Strube, J; Su, D; Sullivan, M K; Thompson, J; Vavra, J; Wagner, S R; Weaver, M; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Young, C C; Burchat, Patricia R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Ahmed, M; 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; Vitale, L; Vuagnin, G; Martínez-Vidal, F; Panvini, R S; Banerjee, S; Bhuyan, B; Brown, C M; Fortin, D; Jackson, P D; Kowalewski, R V; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Mohanty, G B; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Flood, K T; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mihályi, A; Pan, Y; Prepost, R; Tan, P; Von Wimmersperg-Töller, J H; Wu, J; Wu, S L; Yu, Z; Greene, M G; Neal, H

    2005-01-01

    The branching fraction of the tau- --> 3h- 2h+ nu decay (h= pi, kaon) is measured with the BaBar detector to be (8.56 +/- 0.05 +/- 0.42)E-04 where the first error is statistical and the second systematic. The observed structure of this decay is significantly different from the phase space prediction, with the rho resonance playing a strong role. The decay tau- --> f1 pi nu with the f1 meson decaying to four charged pions, is observed and the branching fraction is measured to be (3.9 +/- 0.7 +/- 0.5)E-04.

  5. Characterization of T. aestivum-H, californicum chromosome addition lines DA2H and MA5H

    Institute of Scientific and Technical Information of China (English)

    Fang Kong; Haiyan Wang; Aizhong Cao; Bi Qin; Jianhui Ji; Suling Wang; Xiu-E Wang

    2008-01-01

    In order to transfer useful genes of Hordeum californicum into common wheat (Triticum aestivum L.), the T. aestivum c.v. Chinese Spring (CS)-H. californicum amphiploid was crossed to CS, and its backcrossing and self-fertilized progenies were analyzed by morpho-logical observation, cytological, biochemical and molecular marker techniques. Alien addition lines with two H. californicum chromo-somes were identified and their genetic constitution was characterized. STS-PCR analysis using chromosome 2B specific markers indi-cated that chromosome H3 of 1t. califomicum belongs to homoeologous group 2, and was thus designated 2H. SDS-PAGE showed that chromosome H2 of H. californicum belongs to homoeologous group 5, and was designated 5H. The CS-H. californicum amphiploid and the chromosome addition lines (DA2H and MA5H) identified were evaluated for powdery mildew (Erysiphe graminis f. sp. triticii) resis-tance in field. The preliminary results indicated that the amphiploid showed higher powdery mildew resistance than CS. However, chro-mosome addition lines DA2H and MA5H were highly susceptible to powdery mildew, indicating that major powdery mildew resistant genes of H. californicum should be located on chromosomes other than 2H and 5H.

  6. Nqrs Data for C3H12INO7 [C3H7NO2·HIO3·2(H2O)] (Subst. No. 0646)

    Science.gov (United States)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C3H12INO7 [C3H7NO2·HIO3·2(H2O)] (Subst. No. 0646)

  7. On the formation of cyclopentadiene in the C3H5˙ + C2H2 reaction

    NARCIS (Netherlands)

    Bouwman, J.; Bodi, A.; Oomens, J.; Hemberger, P.

    2015-01-01

    The reaction between the allyl radical (C3H5˙) and acetylene (C2H2) in a heated microtubular reactor has been studied at the VUV beamline of the Swiss Light Source. The reaction products are sampled from the reactor and identified by their photoion mass-selected threshold photoelectron spectra

  8. 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.

  9. Photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 in the VUV region

    Science.gov (United States)

    Xia, T. J.; Chien, T. S.; Wu, C. Y. Robert; Judge, D. L.

    1991-01-01

    Using synchrotron radiation as a continuum light source, the photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 have been measured from their respective ionization thresholds to 1060 A. The vibrational constants associated with the nu(2) totally symmetric, out-of-plane bending vibration of the ground electronic state of PH3(+) have been obtained. The cross sections and quantum yields for producing neutral products through photoexcitation of these molecules in the given spectral regions have also been determined. In the present work, autoionization processes were found to be less important than dissociation and predissociation processes in NH3, PH3, and C2H4. Several experimental techniques have been employed in order to examine the various possible systematic errors critically.

  10. New Determination of the 2H(d,p)3H and 2H(d,n)3He Reaction Rates at Astrophysical Energies

    Science.gov (United States)

    Tumino, A.; Spartà, R.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Pizzone, R. G.; Tognelli, E.; Degl'Innocenti, S.; Burjan, V.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Mrazek, J.; Piskor, S.; Prada Moroni, P. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.

    2014-04-01

    The cross sections of the 2H(d,p)3H and 2H(d,n)3He reactions have been measured via the Trojan Horse method applied to the quasi-free 2H(3He,p 3H)1H and 2H(3He,n 3He)1H processes at 18 MeV off the proton in 3He. 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 2H(d,n)3He reaction is quite influential on 7Li, 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 M ⊙.

  11. On the Crystal Structure of [Cu(OH)2(H2O)2(4-C5H4NCOOH)2

    Institute of Scientific and Technical Information of China (English)

    Ng Seik Weng

    2003-01-01

    The compound described as [Cu(OH)2(H2O)2(4-C5H4NCOOH)2] in Chin. J. Struct. Chem., 2001, 20: 478-480 is instead the compound [Cu(H2O)4(4-C5H4NCOO)2], whose crystal structure has already been published elsewhere.

  12. 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.

  13. Carbonate hydrates of the heavy alkali metals: preparation and structure of Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O und Cs{sub 2}CO{sub 3} . 3 H{sub 2}O; Carbonat-Hydrate der schweren Alkalimetalle: Darstellung und Struktur von Rb{sub 2}CO{sub 3} . 1,5 H{sub 2}O und Cs{sub 2}CO{sub 3} . 3 H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Cirpus, V.; Wittrock, J.; Adam, A. [Koeln Univ. (Germany). Inst. fuer Anorganische Chemie

    2001-03-01

    Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O and Cs{sub 2}CO{sub 3} . 3 H{sub 2}O were prepared from aqueous solution and by means of the reaction of dialkylcarbonates with RbOH and CsOH resp. in hydrous alcoholes. Based on four-circle diffractometer data, the crystal structures were determined (Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O: C2/c (no. 15), Z = 8, a = 1237.7(2) pm, b = 1385.94(7) pm, c = 747.7(4) pm, {beta} = 120.133(8) , V{sub EZ} = 1109.3(6) . 10{sup 6} pm{sup 3}; Cs{sub 2}CO{sub 3} . 3 H{sub 2}O: P2/c (no. 13), Z = 2, a = 654.5(2) pm, b = 679.06(6) pm, c = 886.4(2) pm, {beta} = 90.708(14) , V{sub EZ} = 393.9(2) . 10{sup 6} pm{sup 3}). Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O is isostructural with K{sub 2}CO{sub 3} . 1.5 H{sub 2}O. In case of Cs{sub 2}CO{sub 3} . 3 H{sub 2}O no comparable structure is known. Both structures show {sub {infinity}}{sup 1}[(CO{sub 3}{sup 2-})(H{sub 2}O)]-chains, being connected via additional H{sub 2}O forming columns (Rb{sub 2}CO{sub 3} . 1.5 H{sub 2}O) and layers (Cs{sub 2}CO{sub 3} . 3 H{sub 2}O), respectively. (orig.)

  14. 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.

  15. Artificial miRNA-mediated down-regulation of two monolignoid biosynthetic genes (C3H and F5H) cause reduction in lignin content in jute.

    Science.gov (United States)

    Shafrin, Farhana; Das, Sudhanshu Sekhar; Sanan-Mishra, Neeti; Khan, Haseena

    2015-11-01

    Artificial microRNAs (amiRNA) provide a new feature in the gene silencing era. Concomitantly, reducing the amount of lignin in fiber-yielding plants such as jute holds significant commercial and environmental potential, since this amount is inversely proportional to the quality of the fiber. The present study aimed at reducing the lignin content in jute, by introducing amiRNA based vectors for down-regulation of two monolignoid biosynthetic genes of jute, coumarate 3-hydroxylase (C3H) and ferulate 5-hydroxylase (F5H). The transgenic lines of F5H-amiRNA and C3H-amiRNA showed a reduced level of gene expression, which resulted in about 25% reduction in acid insoluble lignin content for whole stem and 12-15% reduction in fiber lignin as compared to the non-transgenic plants. The results indicate successful F5H-amiRNA and C3H-amiRNA transgenesis for lignin reduction in jute. This is likely to have far-reaching commercial implications and economic acceleration for jute producing countries.

  16. Volumetric Properties of the Mixture 2-Methoxyethanol C3H8O2 + C5H10O3 Diethyl carbonate (VMSD1111, LB4682_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 2-Methoxyethanol C3H8O2 + C5H10O3 Diethyl carbonate (VMSD1111, LB4682_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  17. Heat of Mixing and Solution of 2-Methoxyethanol C3H8O2 + C5H10O3 Diethyl carbonate (HMSD1111, LB4208_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 2-Methoxyethanol C3H8O2 + C5H10O3 Diethyl carbonate (HMSD1111, LB4208_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  18. Volumetric Properties of the Mixture 2-Methoxyethanol C3H8O2 + C5H10O3 Diethyl carbonate (VMSD1212, LB4691_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 2-Methoxyethanol C3H8O2 + C5H10O3 Diethyl carbonate (VMSD1212, LB4691_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  19. Synthesis, structure and antimicrobial evaluation of new 3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl-thiazol-4(5H)-ones

    Science.gov (United States)

    Gautam, Deepika; Chaudhary, R. P.

    2015-01-01

    The reaction of semicarbazide or thiosemicarbazide with 2-arylidene-1-tetralones under alkaline condition affords 3,3a,4,5-tetrahydro-2H-benzo[g]indazole-2-carbo(thio)amides as a mixture of cis and trans diastereoisomers of 3-H and 3a-H. The synthesis of new indazolyl-thiazol-4(5H)-ones from the condensation of cis isomer and α-halo acids is reported. A DFT study along with X-ray single crystal data of a representative compound is presented. All the eight newly synthesised indazolyl-thiazol-4(5H)-ones were screened for their antibacterial and antifungal activities and some compounds have shown promising activities.

  20. 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.

  1. Heat of Mixing and Solution of Dimethyl sulfoxide C2H6OS + C5H10O3 Diethyl carbonate (HMSD1111, LB4315_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 + C5H10O3 Diethyl carbonate (HMSD1111, LB4315_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  2. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C5H10O3 Diethyl carbonate (VMSD1212, LB5137_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 + C5H10O3 Diethyl carbonate (VMSD1212, LB5137_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  3. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C5H10O3 Diethyl carbonate (VMSD1111, LB5134_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 + C5H10O3 Diethyl carbonate (VMSD1111, LB5134_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  4. Nqrs Data for C3H10INO6 [C3H7NO2·HIO3·(1/2)(H2O)] (Subst. No. 0642)

    Science.gov (United States)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C3H10INO6 [C3H7NO2·HIO3·(1/2)(H2O)] (Subst. No. 0642)

  5. Synthesis and Structure of Copper(Ⅱ)Complex [Cu(C5H5N)2(H2O)(C6H5COO)2

    Institute of Scientific and Technical Information of China (English)

    杨瑞娜; 李彩云; 刘应凡; 金斗满; 谌了容

    2001-01-01

    At room temperature,the reaction of dibenzoyl peroxide with metallic copper powder in the presence of pyridine affords the copper(Ⅱ)complex [Cu(C5H5N)2(H2O)-(C6H5COO)2 ].Crystal is monoclinic,Mr=483.002,space group Cc with parameters: a=6.078(4),b=15.879(4),c=23.091(3)A,β=97.61(2)°,V=2209.1(2)A3,Z=4,Dc=1.464g/cm3,μ=10.279 cm-1,F(000)=996,R=0.031,Rw=0.036,1595 reflections with I≥3σ(Ⅰ)were considered to be observed.Each copper(Ⅱ)ion is coordinated by two monodentate benzoate ligands,two pyridines and one water molecule.The complex is also characterized by its IR,XPS and thermal properties.

  6. Heats of formation and thermodynamic functions for C2H, C3H, and C4H from 300 K to 6000 K

    Science.gov (United States)

    Saturno, A. F.

    1982-01-01

    A review of the energy level and heat of formation data for the species C2H, C3H, and C4H is given. The procedure for computing thermochemical data from partition function is also reviewed. Working expressions for approximate partition functions, free-energy function, enthalpy function, and heat capacity for a linear polyatomic species are presented.

  7. Synthesis and Structure of [Cu(OH)2(H2O)2(4-C5H4N-COOH)2

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The hydrothermal reaction of isonicotinic acid (4-C5H4N-COOH), Cu(ClO4)2·6H2O and water at 170°C gave the title compound, [Cu(OH)2(H2O)2(4-C5H4N- COOH)2] (1), which was analyzed by single-crystal X-ray diffraction. The complex crystallizes in triclinic space group P ī with unit cell parameters: a = 6.337(2), b = 6.894(3), c = 9.178(3)?. ( = 99.40(3), ( = 105.26(3), ( = 108.17(5)°, V = 354.1(2) ?3, Z = 1, C12H16CuN2O8, Mr = 379.81, Dc = 1.791 Mg/m3, F(000) = 197, ((MoK() = 1.589 mm-1. The final R and wR are 0.068 and 0.170 for 1249 observed reflections with I ≥ 2σ(I). The central copper ion is in a distorted octahedron geometry completed by two nitrogen atoms from carboxylic ligand, two oxygen atoms from hydroxyl groups and two oxygen atoms from coordinated water molecules. The intermolecular hydrogen bonding leads to the formation of a three-dimensional supramolecular structure.

  8. The Order-Disorder of the Structure of V OHPO4.0.5H2O Preparedby Reducing VOPO4.2H2O with Alcohol%醇还原VOPO4.2H2O制备VOHPO4.0.5H2O的有序-无序结构

    Institute of Scientific and Technical Information of China (English)

    王晓晗; 马荣萱; 卢冠忠; 黄仲涛

    2001-01-01

    在醇还原VOPO4*2H2O制备VOHPO4*0.5H2O的反应中,不同空间构型的醇对VOHPO4*0.5H2O晶体的有序-无序结构有较大的影响。醇既是还原剂又是模板剂,对晶体的生长起到模板作用。由伯醇制备的VOHPO4*0. 5H2O晶体在[220]晶面有较强衍射,晶体结构部分无序,晶型为扭曲片状聚集体;由仲醇制备的VOHPO4*0.5H2O晶体在[001]晶面有较强衍射,晶体结构完全有序,晶型为片状聚集体。%Alcohol may act as a template as well as a reducing agent during the conversion of VOPO4.2H2O to VOHPO4.0.5H2O.On re ducing V(Ⅴ) to V(Ⅳ) the alcohols of diff erent steric configurations play a templ ate role in the process of VOHPO4.0.5H 2O crystal growth,and influence the orde r-disorder of the structure of VOHPO4.0 .5H2O.VOHPO4*0.5H2O crystals prepared by 1-alcohols exhibit [220] reflection in the diffraction pattern,partial disor der of structure and rose-like morpholog y.VOHPO4.0.5H2O crystals prepared by 2 -alcohols exhibit the dominant feature o f [001] reflection,complete order of st ructure and platelet morphology.

  9. 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.

  10. 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

    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-amylase/trypsin...... inhibitors, peroxiredoxin and a small heat shock protein, in relation to markers on the chromosome map....

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

    Science.gov (United States)

    Finnie, Christine; Bagge, Merethe; Steenholdt, Torben; Østergaard, Ole; Bak-Jensen, Kristian Sass; Backes, Gunter; Jensen, Anaïs; Giese, Henriette; Larsen, Jørgen; Roepstorff, Peter; Svensson, Birte

    2009-02-01

    Two-dimensional gel electrophoresis was used to screen spring barley cultivars for differences in seed protein profiles. In parallel, 72 microsatellite (simple sequence repeat (SSR)) markers and 11 malting quality parameters were analysed for each cultivar. Over 60 protein spots displayed cultivar variation, including peroxidases, serpins and proteins with unknown functions. Cultivars were clustered based on the spot variation matrix. Cultivars with superior malting quality grouped together, indicating malting quality to be more closely correlated with seed proteomes than with SSR profiles. Mass 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-amylase/trypsin inhibitors, peroxiredoxin and a small heat shock protein, in relation to markers on the chromosome map.

  12. Synthesis, properties and crystal structure of (Gly) 2H 4SiW 12O 40·5.5H 2O

    Science.gov (United States)

    Lihua, Bi; Qizhuang, He; Qiong, Jia; Enbo, Wang

    2001-10-01

    A novel polyoxometalate containing Glycine (Gly), (Gly) 2H 4SiW 12O 40·5.5H 2O ( I), has been synthesized and characterized by single-crystal X-ray diffraction, elemental analyzes, IR spectrum, cyclic voltammograms and thermogravimetric analysis. The compound crystallizes in the monoclinic space group C2/ C with a=40.362 (8) Å, b=12.478 (3) Å, c=19.879 (4) Å, β=96.22 (3)°, V=9953 (4) Å 3, Z=8 and R1 ( wR2)=0.0699 (0.1609). The crystal structure consists of [SiW 12O 40] 4- units linked together with Gly molecules through hydrogen bonding. The electrochemical properties of I showed that the electrode reaction is surface-controlled. The compound has photosensitivity under irradiation of sunlight to result in charge transfer by oxidation of Gly and the reduction of SiW 12O 404-. We also found that the compound exhibited effectiveness in preventing cucumber mosaic virus (CMV).

  13. 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

  14. Structure of Eu[sub 2](PO[sub 3]H)[sub 3]. 2,5H[sub 2]O. Structure de Eu[sub 2](PO[sub 3]H)[sub 3]. 2,5H[sub 2]O

    Energy Technology Data Exchange (ETDEWEB)

    Foulon, J.D. (Lab. de Physicochimie des Materiaux, Ecole Nationale Superieure de Chimie de Montpellier, 34 (France)); Tijani, N. (Lab. de Chimie Minerale Appliquee, Faculte des Sciences, Fes (Morocco)); Durand, J. (Lab. de Physicochimie des Materiaux, Ecole Nationale Superieure de Chimie de Montpellier, 34 (France)); Rafiq, M. (Lab. de Chimie Minerale Appliquee, Faculte des Sciences, Fes (Morocco)); Cot, L. (Lab. de Physicochimie des Materiaux, Ecole Nationale Superieure de Chimie de Montpellier, 34 (France))

    1993-05-15

    Dieuropium trisphosphonate 2.5-hydrate, Eu[sub 2](PO[sub 3]H)[sub 3].2.5H[sub 2]O, M[sub r]=588.9, triclinic, P anti 1, a=6.608(1), b=6.899(1), c=12.977(2) A, [alpha]=82.66(1), [beta]=80.64(1), [gamma]=73.97(1) , V=558.9(2) A[sup 3], Z=2, D[sub m]=3.48(1), D[sub x]=3.500 Mg m[sup -3], [lambda](Mo K[alpha])=0.71073 A, [mu]=11.60 mm[sup -1], F(000)=542, T=293 K, R=0.0279 for 1807 independent reflections. The structure contains three independent phosphonate anions. One Eu[sup 3+] is eight-coordinated but the other is either eight-coordinated or seven-coordinated owing to the half occupancy of one water molecule. Three [EuO[sub 8

  15. 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.

  16. Intermolecular hydrogen bonding between neutral transition metal hydrides (eta(5)-C5H5)M(CO)3H (M = Mo, W) and bases.

    Science.gov (United States)

    Belkova, Natalia V; Gutsul, Evgenii I; Filippov, Oleg A; Levina, Vladislava A; Valyaev, Dmitriy A; Epstein, Lina M; Lledos, Agusti; Shubina, Elena S

    2006-03-22

    The interaction of CpM(CO)3H (M = Mo, W) hydrides as proton donors with different bases (B = pyridine, (n-Oc)3PO, ((CH3)2N)3PO, H3BNEt3) was studied by variable temperature IR spectroscopy and theoretically by DFT/B3LYP calculations. The data obtained show for the first time the formation of intermolecular hydrogen bonds between the neutral transition metal hydrides and bases in solutions of low polarity. These M-H...B hydrogen bonds are shown to precede the hydrides' deprotonation.

  17. Search for protons from the 2H(d,p)3H reaction in an electrolytic cell with Pd-Pt electrodes

    Science.gov (United States)

    Rehm, K. E.; Kutschera, W.; Perlow, G. J.

    1990-01-01

    The production of protons from the 2H(d,p)3H reaction was investigated using an electrolytic cell and a proportional counter. The cathode, consisting of a 30.5-mg/cm2-thick Pd foil, separated the gas in the counter from the electrolyte (0.1M LiOD in D2O). The efficiency for proton detection was 28%. The electrolytic cell was operated with current densities up to 650 mA/cm2. Several runs with the current switched on and off and with different Pd foils have been performed with the longest run lasting more than 10 days. No difference in the count rate was observed when the electrolytic cell was on or off. From the high-energy part of the particle spectrum we obtain an upper limit for the proton production from the fusion reaction 2H(d,p)3H of 4×10-23 fusion/(dd pair/sec).

  18. Synthesis of Z- and E-[2,3-{sup 2}H{sub 2}] and [2,3-{sup 3}H{sub 2}]-1,1-dichloro-2,3-diphenylcyclopropane ({sup 2}H-and {sup 3}H-analog II and its trans isomer)

    Energy Technology Data Exchange (ETDEWEB)

    Day, B.W.; Jonnalagadda, S.S. [Pittsburgh Univ., PA (United States). Dept. of Occupational Health

    1995-01-01

    {sup 2}H and {sup 3}H labeled Z- and E-1,1-dichloro-2,3-diphenylcyclopropane (1 and 2) were synthesized starting from NaB{sup 2}H{sub 4} and NaB{sup 3}H{sub 4} reduction of benzil. The resulting glycols were transformed to the 1,2-labeled Z- and E-stilbenes by thermolysis of their cyclic thionocarbonates in trimethylphosphite. The stilbenes were reacted with phase transfer-generated dichlorocarbene to form the title compounds. The dideuterio isomers were separated by fractional crystallization in yields of 60 and 48%. Each was greater than 99% geometrically and 98% isotopically pure. The ditritio isomers were separated by C-18 HPLC. The radiochemical yields, on a molar basis using benzil as the limiting reagent, were 42% and 23%, each with specific activity of 88.5 mCi/mmol and radiochemical purity of >95%. (Author).

  19. Kinetics of the reactions H+C2H4->C2H5, H+C2H5->2CH3 and CH3+C2H5->products studies by pulse radiolysis combined with infrared diode laser spectroscopy

    DEFF Research Database (Denmark)

    Sillesen, A.; Ratajczak, E.; Pagsberg, P.

    1993-01-01

    Formation of methyl radicals via the consecutive reactions H+C2H4+M-->C2H5+M (1) and H+C2H5-->CH3+CH3 (2a) was initiated by pulse radiolysis of 10-100 mbar H-2 in the presence of ethylene. The kinetics of CH3 Were studied by monitoring the transient infrared absorption at the Q(3, 3) line of the v2......=0-->1 vibrational transition at 606.12 cm-1. Reaction (2a) proceeds in competition with the reaction H+C2H5+M-->C2H6+M (2b). The methyl radicals are consumed by CH3+CH3+M-->C2H6+M (3), CH3+C2H5-->products (4), and H+CH3+M-->CH4+ M (5). By computer simulations based on determined absolute radical yields...

  20. 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.

  1. 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.

  2. 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.

  3. Synthesis of high-surface-area spinel-type MgAl$_2$O$_4$ nanoparticles by [Al(sal)$_2$(H$_2$O)$_2$]$_2$[Mg(dipic)$_2$] and [Mg(H$_2$O)$_6$][Al(ox)$_2$(H$_2$O)$_2$]$_2$·5H$_2$O: influence of inorganic precursor type

    Indian Academy of Sciences (India)

    2017-02-01

    Spinel-type MgAl$_2$O$_4$ nanoparticles with high surface area were synthesized by thermal decomposition of three different ion-pair complexes precursors, including [Mg(H$_2$O)$_6$][Al(dipic)$_2$]$_2$·6H$_2$O, [Al(sal)$_2$(H$_2$O)$_2$]$_2$[Mg(dipic)$_2$] and [Mg(H$_2$O)$_6$][Al(ox)$_2$(H$_2$O)$_2$]$_2$·5H$_2$O. Influence of the inorganic precursor was investigated on synthesis and textural properties of magnesium aluminate nanopowders. The precursors [Mg(H$_2$O)$_6$][Al(dipic)$_2$]$_2$·6H$_2$O and [Al(sal)$_2$(H$_2$O)$_2$]$_2$[Mg(dipic)$_2$] displayed pure spinel-type MgAl$_2$O$_4$, while the sample synthesized by [Mg(H$_2$O)$_6$][Al(ox)$_2$(H$_2$O)$_2$]$_2$·5H$_2$O precursor consisted of MgAl$_2$O$_4$ and MgO. The MgAl$_2$O$_4$ synthesizedvia [Al(sal)$_2$(H$_2$O)$_2$]$_2$[Mg(dipic)$_2$] precursor exhibited higher BET specific surface area (226.7 m$^2$ g$^{−1}$) and smaller particle size than those of the samples obtained from the two other precursors.

  4. 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.

  5. Oxidative cross-coupling of pyridine N-oxides and ethers between C(sp(2))-H/C(sp(3))-H bonds under transition-metal-free conditions.

    Science.gov (United States)

    Sun, Wei; Xie, Zuguang; Liu, Jie; Wang, Lei

    2015-04-21

    A novel and efficient method based on the cross-coupling reactions of pyridine N-oxides with ethers between C(sp(2))-H/C(sp(3))-H bonds in the presence of TBHP was developed. The strategy provides an alternative approach to the pyridine moiety under transition-metal-free conditions.

  6. Corrosion inhibition of mild steel in 1M HCl by D-glucose derivatives of dihydropyrido [2,3-d:6,5-d′] dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone

    Science.gov (United States)

    Verma, Chandrabhan; Quraishi, M. A.; Kluza, K.; Makowska-Janusik, M.; Olasunkanmi, Lukman O.; Ebenso, Eno E.

    2017-01-01

    D-glucose derivatives of dihydropyrido-[2,3-d:6,5-d′]-dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone (GPHs) have been synthesized and investigated as corrosion inhibitors for mild steel in 1M HCl solution using gravimetric, electrochemical, surface, quantum chemical calculations and Monte Carlo simulations methods. The order of inhibition efficiencies is GPH-3 > GPH-2 > GPH-1. The results further showed that the inhibitor molecules with electron releasing (-OH, -OCH3) substituents exhibit higher efficiency than the parent molecule without any substituents. Polarization study suggests that the studied compounds are mixed-type but exhibited predominantly cathodic inhibitive effect. The adsorption of these compounds on mild steel surface obeyed the Langmuir adsorption isotherm. SEM, EDX and AFM analyses were used to confirm the inhibitive actions of the molecules on mild steel surface. Quantum chemical (QC) calculations and Monte Carlo (MC) simulations studies were undertaken to further corroborate the experimental results. PMID:28317849

  7. Corrosion inhibition of mild steel in 1M HCl by D-glucose derivatives of dihydropyrido [2,3-d:6,5-d‧] dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone

    Science.gov (United States)

    Verma, Chandrabhan; Quraishi, M. A.; Kluza, K.; Makowska-Janusik, M.; Olasunkanmi, Lukman O.; Ebenso, Eno E.

    2017-03-01

    D-glucose derivatives of dihydropyrido-[2,3-d:6,5-d‧]-dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone (GPHs) have been synthesized and investigated as corrosion inhibitors for mild steel in 1M HCl solution using gravimetric, electrochemical, surface, quantum chemical calculations and Monte Carlo simulations methods. The order of inhibition efficiencies is GPH-3 > GPH-2 > GPH-1. The results further showed that the inhibitor molecules with electron releasing (-OH, -OCH3) substituents exhibit higher efficiency than the parent molecule without any substituents. Polarization study suggests that the studied compounds are mixed-type but exhibited predominantly cathodic inhibitive effect. The adsorption of these compounds on mild steel surface obeyed the Langmuir adsorption isotherm. SEM, EDX and AFM analyses were used to confirm the inhibitive actions of the molecules on mild steel surface. Quantum chemical (QC) calculations and Monte Carlo (MC) simulations studies were undertaken to further corroborate the experimental results.

  8. Hydrothermal synthesis and structural characterization of a family of lanthanide tartrates: [Ln 2(C 4H 4O 6) 3(H 2O) 3]·1.5H 2O (Ln = La, Ce, Pr, Nd, Sm)

    Science.gov (United States)

    Athar, Muhammad; Li, Guanghua; Shi, Zhan; Chen, Yan; Feng, Shouhua

    2008-12-01

    Coordination polymers containing lanthanides with tartaric acid [Ln 2(C 4H 4O 6) 3(H 2O) 3]·1.5H 2O (Ln = La, Ce, Pr, Nd, Sm and C 4H 4O 6 = D(-) or L(+) tartrate anion) have been synthesized using hydrothermal techniques and characterized by single crystal X-ray diffraction. The compounds are all isotypic with a monoclinic crystal system in the P2 1/ n space group. The asymmetric units of coordination polymers contain two metal centers having different coordination environments. One metal is bonded to four tartrate groups having three D and one L isomers (or three L and one D isomers), whereas the other metal is bonded to five tartrate groups having two D and three L isomers (or two L and three D isomers). Each trivalent metal center is coordinated to nine oxygen atoms that originate from carboxylate and hydroxyl groups of the tartrate anions and water molecules. These new polymers have three-dimensional structures containing open channels that are occupied by non-coordinating water molecules. Thermogravimetric and differential thermal analyses and adsorption of nitrogen have also been studied for these compounds.

  9. Hydrothermal synthesis, electrochemical properties and calculation of complex { Cu[ PHBA ]2 ( H2O)3 } (H2O)3%配合物{Cu[PHBA]2(H2O)3}(H2O)3的水热合成、晶体结构、电化学分析及量化计算

    Institute of Scientific and Technical Information of China (English)

    刘雄祥; 李昶红

    2007-01-01

    在甲醇和水的混合溶剂中通过水热反应,以对羟基苯甲酸和4,4'-联吡啶为配体合成了配合物{Cu[PHBA]2(H2O)3}(H2O)3,并测定了配合物的晶体结构,该晶体属三斜晶系,空间群c2(1),晶胞参数为:a=2.4428(5)nm,b=1.14476(17)nm,c=0.72516(11)nm,α=β=γ=90.00°,V=2.0278(6)nm3,Dc=1.578g/cm3,Z=4,F(000)=1004.最终偏离因子R1=0.0304,wR2=0.0796.配合物中Cu(Ⅱ)离子与2个对羟基苯甲酸的2个羧基O原子及3个水分子中的3个氧原子配位,形成三角双锥结构,铜位于结构中心.结合晶体结构对配合物进行了电化学性质分析和量子化学计算.

  10. 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.

  11. Synthesis, Thermal Decomposition and Photochromic Kinetics of A Charge-transfer Salt (C_3H_5N_2H)_3 [PMo_(12)O_(40)]%电荷转移盐(C_3H_5N_2H)_3[PMo_(12)O_(40)]的合成与热分解及光致变色反应动力学

    Institute of Scientific and Technical Information of China (English)

    库宗军; 张忠海; 肖丽媛

    2010-01-01

    用磷钼酸与咪唑合成了一种新的杂多酸-有机电荷转移盐(C_3H_5N_2H)_3[PMo_(12)O_(40)].通过元素分析、红外光谱、固体漫反射光谱、电子自旋共振及热分析等测试技术对其进行了表征,用单扫描法(Achar法和Coats-Redfern法)对合成化合物的TG分析结果进行了非等温热分解动力学研究.推断结果表明,合成化合物的第1步热分解为球对称的三维扩散机理(n=2),其动力学方程为dα/dt=1.58×10~8[1-(1-α)~(1/3)]~(-1)(1-α)~(2/3)exp(-40 931.0/T),求得分解反应的表观活化能E=340.30 kJ/mol,指前因子A=1.05×10~8 s~(-1).标题化合物对紫外光具有光致变色性质,用固体漫反射光谱研究了其光致变色反应动力学.结果显示,其光致变色反应表现为一级或准一级动力学,速率常数k=9.80×10~(-5) s~(-1).

  12. Isolation and structures of sulfonium salts derived from thioethers: [{o-C(6)H(4)(CH(2)SMe)(2)}H][NbF(6)] and [{[9]aneS(3)}H][NbF(6)].

    Science.gov (United States)

    Jura, Marek; Levason, William; Reid, Gillian; Webster, Michael

    2009-10-07

    Two very unusual sulfonium salts, [{o-C(6)H(4)(CH(2)SMe)(2)}H][NbF(6)] and [{[9]aneS(3)}H][NbF(6)], obtained from reaction of the thioethers with NbF(5) in CH(2)Cl(2) solution, are reported and their structures described; the eight-coordinate tetrafluoro Nb(v) cation of the dithioether is obtained from the same reaction.

  13. Low-energy SiC2H6+ and SiC3H9+ ion beam productions by the mass-selection of fragments produced from hexamethyldisilane for SiC film formations

    Directory of Open Access Journals (Sweden)

    Satoru Yoshimura

    2016-12-01

    Full Text Available We have been attempting to produce low-energy ion beams from fragments produced through the decomposition of hexamethyldisilane (HMD for silicon carbide (SiC film formations. We mass-selected SiC2H6+ and SiC3H9+ ions from fragments produced from HMD, and finally produced low-energy SiC2H6+ and SiC3H9+ ion beams. The ion energy was approximately 100 eV. Then, the ion beams were irradiated to Si(100 substrates. The temperature of the Si substrate was 800°C during the ion irradiation. The X-ray diffraction and Raman spectroscopy of the substrates obtained following SiC2H6+ ion irradiation demonstrated the occurrence of 3C-SiC deposition. On the other hand, the film deposited by the irradiation of SiC3H9+ ions included diamond-like carbon in addition to 3C-SiC.

  14. Synthesis, Characterization and Crystal Structure of an Inorganic-organic Composite Metatungstate: [Co(4,4'-bipy)2(H2O)4](4,4'-H2bipy)2[H2W12O40]·5.5H2O

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A novel hybrid compound [Co(4,4'-bipy)2(H2O)4](4,4'- H2bipy)2[H2W12O40]·5.5H2Ohas been synthesized from an acidified aqueous solution and characterized by elemental and thermal analyses, IR and UV spectroscopy, and single-crystal X-ray structure determination. Structure analysis indicates that the title compound is of monoclinic, space group C2/c, with a = 21.315(9), b = 15.303 (7), c = 24.139(10) (A), β = 105.170(5)o, V = 7599(6) (A)3, Mr = 3706.99, Z = 4, F(000) = 6616, Dc = 3.231, μ = 18.395 mm-1, R = 0.0652 and wR = 0.1594. X-ray crystallographic study shows that the title compound consists of one [Co(4,4'-bipy)2(H2O)4]2+ cation, two diprotonated 4,4'-bipyridine molecules, 5.5 water molecules of crystallization, and one metatungstate polyoxoanion [H2W12O40]6-, which approaches an effective Td point symmetry. TG-DTA analysis indicates that the framework of the metatungstate polyoxoanion is collapsed at 587.0 ℃.

  15. 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.

  16. 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.

  17. The synthesis of 7-chloro-5-pentadeuteriophenyl-1-methyl-1H-1, 5-benzodiazepine-2,4(3H, 5H)dione (( sup 2 H sub 5 )clobazam)

    Energy Technology Data Exchange (ETDEWEB)

    Borel, A.G.; Abbott, F.S. (British Columbia Univ., Vancouver, BC (Canada). Dept. of Pharmaceutical Sciences)

    1990-07-01

    Pentadeuteriophenyl clobazam was synthesized in essentially quantitative isotopic purity, and characterized by {sup 1}H-NMR and mass spectroscopy. The title compound was found to be >98% pure by HPLC, and its retention time (t{sub R} 6.17 min) was less than that of an authentic clobazam standard (t{sub R} 6.32 min). Of the five steps in the synthesis of clobazam, the most susceptible to deuterium exchange was the nucleophilic substitution of 2,4-dichloronitrobenzene by aniline-d{sub 7} to form N-(5-chloro-2-nitrophenyl)penta-deuteriophenylamine. In this step, the isotopic impurity aniline-2,3,4,5-d{sub 5} introduced protons from nitrogen into the ortho and para positions of the deuteriophenyl ring of N-(5-chloro-2-nitrophenyl)pentadeuteriophenylamine. (author).

  18. 配合物[Mn(C_5H_2N_2O_6)·2H_2O]_n的合成、晶体结构及光谱性质%Synthesis,Crystal Structure and Spectral Properties of the Manganese Coordination Polymer [Mn(C_5H_2N_2O_6)·2H_2O]_n with Pyrazole-3,5-Dicarboxylic Acid

    Institute of Scientific and Technical Information of China (English)

    李荣芳; 陈宁; 包鑫

    2012-01-01

    A novel manganese coordination polymer [Mn(C5H2N2O6)·2H2O]4 has been synthesized and it was characterized by elemental analysis,FTIR and X-ray diffraction single-crystal structure analyses.Crystal data:monoclinic,space group P2(1)/c,a=6.4824(13) A,b=6.1325(12) A,c=19.980(4) A,α=90 deg,β=91.925(2) deg,γ=90 deg,V=793.8(3) A3,M =245.05,Z=4,Dc = 2.050Mg.m-3,F(000)=492,Absorption coefficient:μ= 1.671mm-1,Final R indices:R1=0.0263,wR2=0.0692.Single crystal structure determination reveals that the title complex is a novel one-dimensional coordination polymer.The local coordination environment around manganese ion is a distorted octahedron.Two 2D layer super molecular complex systems are formed by the hydrogen bonds and weak interactions between neighboring single cells.Further,some nanometer empties are found in direction in pack structure.%合成了一个新的配合物,经元素分析及X-射线衍射对其结构进行了表征.化合物晶体属单斜晶系,P2(1)/c空间群,晶胞参数:a=6.4824(13),b=6.1325(12),c=19.980(4),α=90°,β=91.925(2)°,γ=90°,V=793.8(3)A3,M=245.05,Z=4,Dc=2.050Mg.m-3,F(000)=492,吸收系数μ=1.671mm-1,最终偏离因子R1=0.0263,wR2=0.0692.化合物的分子结构存在一维链状的结构,由于复杂氢键的存在,它的堆积结构呈二维网状排列,而且在[010]方向看到了纳米空洞.

  19. A three-dimensional structure of vanadium malonate: synthesis, characterization and X-ray structure of [Na 2VO(C 3H 2O 4) 2(H 2O) 2] n

    Science.gov (United States)

    Zhang, Quan-Zheng; Lu, Can-Zhong; Yang, Wen-Bin; Chen, Shu-Mei; Yu, Ya-Qin

    2004-05-01

    A three-dimensional structure [Na 2VO(C 3H 2O 4) 2(H 2O) 2] n was synthesized from the aqueous solution of V 2O 5, malonic acid and HCl. The compound crystallizes in orthorhombic system, space group C222 1 with a=7.2472(9) Å, b=15.9465(2) Å, c=10.3672(1) Å, V=1198.1(3) Å 3, Z=4, and R1=0.0242 for 1027 observed reflections. Single crystal X-ray diffraction reveals that the vanadium atom is coordinated by six oxygen atoms in an octahedral geometry. It is more interesting that one sodium ion is coordinated by two μ 3-OH 2 and six carboxyl oxygen atoms, which exhibits an unusual coordination mode. The malonato-vanadium units are linked up by two sodium ions to an extended network

  20. 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.

  1. Epitaxy of Si1- x C x via ultrahigh-vacuum chemical vapor deposition using Si2H6, Si3H8, or Si4H10 as Si precursors

    Science.gov (United States)

    Koo, Sangmo; Jang, Hyunchul; Ko, Dae-Hong

    2017-09-01

    In this study, disilane (Si2H6), trisilane (Si3H8), and tetrasilane (Si4H10) were used as Si precursors for the growth of Si1- x C x epilayers, and the growth properties of the layers were compared. The use of a higher-order silane significantly increased the growth rates of the Si1- x C x epilayers at a processing temperature of 650 °C. In addition, a higher growth rate realized by using a higher-order silane promoted an increase in the substitutional carbon concentration in the Si1- x C x epilayers owing to the additional injection of a C-source gas (SiH3CH3) and the incorporation of C atoms into substitutional sites. The differences in growth properties between Si precursors were explained on the basis of reaction mechanisms.

  2. Beam-energy dependence and updated test of the Trojan-horse nucleus invariance via a measurement of the 2H(d ,p )3H reaction at low energies

    Science.gov (United States)

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

    2017-03-01

    The 2H(d ,p )3H bare nucleus astrophysical S (E ) factor has been measured indirectly at energies from about 500 keV down to several keV by means of the Trojan-horse method applied to the 2H(6Li,p t )4He quasifree reaction induced at 11 MeV. The obtained results are compared with direct data as well as with previous indirect investigation of the same binary reactions. It shows that the precision of S (E ) data in the low-energy range extracted via the same Trojan-horse nuclei [6Li=(d ⊕α )] becomes better when the incident energy of the virtual binary process decreases from high value down to the lower Gamow energy range, which near the zero-quasi-free-energy point. The very good agreement between data extracted from different Trojan-horse nuclei [6Li=(d ⊕α ) vs 3He=(d ⊕p )] gives a strong updated test for the independence of the binary indirect cross section on the chosen Trojan-horse nucleus at low energies.

  3. Synthesis and characterization of the open-framework barium bisphosphonate [Ba3(O3PCH2NH2CH2PO3)2(H2O)4].3H2O.

    Science.gov (United States)

    Bauer, Sebastian; Müller, Helen; Bein, Thomas; Stock, Norbert

    2005-12-12

    Following the strategy of using polyfunctional phosphonic acids for the synthesis of open-framework metal phosphonates, the phosphonocarboxylic acid (H2O3PCH2)2NCH2C6H4COOH was used in the hydrothermal synthesis of new Ba phosphonates. Its decomposition led to the first open-framework barium phosphonate [Ba3(O3PCH2NH2CH2PO3)2(H2O)4].3H2O. The synthesis was also successfully performed using iminobis(methylphosphonic acid), (H2O3PCH2)2NH, as a starting material, and the synthesis was optimized to obtain as a pure material. The reaction setup as well as the pH are the dominant parameters, and only a diffusion-controlled reaction led to the desired compound. The crystal structure was solved from single-crystal data: monoclinic; C2/c; a=2328.7(2), b=1359.95(7), and c=718.62(6) pm; beta=98.732(10) degrees ; V=2249.5(3)x10(6) pm3; Z=4; R1=0.036; and wR2=0.072 (all data). The structure of [Ba3(O3PCH2NH2CH2PO3)2(H2O)4].3H2O is built up from BaO8 and BaO10 polyhedra forming BaO chains and layers, respectively. These are connected to a three-dimensional metal-oxygen-metal framework with the iminobis(methylphosphonic acid) formally coating the inner walls of the pores. The one-dimensional pores (3.6x4 A) are filled with H2O molecules that can be thermally removed. Thermogravimetric investigations and temperature-dependent X-ray powder diffraction demonstrate the stability of the crystal structure up to 240 degrees C. The uptake of N,N-dimethylformamide and H2O by dehydrated samples is demonstrated. Furthermore, IR, Raman, and 31P magic-angle-spinning NMR data are also presented.

  4. Iridium complexes containing mesoionic C donors: selective C(sp3)-H versus C(sp2)-H bond activation, reactivity towards acids and bases, and catalytic oxidation of silanes and water.

    Science.gov (United States)

    Petronilho, Ana; Woods, James A; Mueller-Bunz, Helge; Bernhard, Stefan; Albrecht, Martin

    2014-11-24

    Metalation of a C2-methylated pyridylimidazolium salt with [IrCp*Cl2]2 affords either an ylidic complex, resulting from C(sp(3))-H bond activation of the C2-bound CH3 group if the metalation is performed in the presence of a base, such as AgO2 or Na2CO3, or a mesoionic complex via cyclometalation and thermally induced heterocyclic C(sp(2))-H bond activation, if the reaction is performed in the absence of a base. Similar cyclometalation and complex formation via C(sp(2))-H bond activation is observed when the heterocyclic ligand precursor consists of the analogous pyridyltriazolium salt, that is, when the metal bonding at the C2 position is blocked by a nitrogen rather than a methyl substituent. Despite the strongly mesoionic character of both the imidazolylidene and the triazolylidene, the former reacts rapidly with D(+) and undergoes isotope exchange at the heterocyclic C5 position, whereas the triazolylidene ligand is stable and only undergoes H/D exchange under basic conditions, where the imidazolylidene is essentially unreactive. The high stability of the Ir-C bond in aqueous solution over a broad pH range was exploited in catalytic water oxidation and silane oxidation. The catalytic hydrosilylation of ketones proceeds with turnover frequencies as high as 6,000 h(-1) with both the imidazolylidene and the triazolylidene system, whereas water oxidation is enhanced by the stronger donor properties of the imidazol-4-ylidene ligands and is more than three times faster than with the triazolylidene analogue. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Synthesis and Structural Studies of Transition Metal Complexes with Bidentate Schiff Base Derived from 3-Acetyl-6-methyl-(2H-pyran-2,4(3H-dione

    Directory of Open Access Journals (Sweden)

    Praveen S. Mane

    2011-01-01

    Full Text Available The solid complexes of Cu(II, Ni(II, Co(II, Mn(II and Fe(III with Schiff base ligands derived from heterocyclic compounds 3-acetyl-6-methyl-(2H-pyran-2,4(3H-dione (Dehydroacetic acid and o-chloroaniline were synthesized and characterized by elemental analysis, conductance, magnetic, thermal, UV-Vis and 1H-NMR spectroscopy. The ligand field parameters have been evaluated for Cu(II, Ni(II, Co(II, Mn(II and Fe(III complexes which suggest an octahedral geometry for each of them. The magnetic moment and spectral data suggest the dimeric nature of Mn(II complexes with octahedral geometry. The fungicidal activities of the ligands and their metal complexes have been screened in vitro against Aspergillus niger and the percentage inhibition of the metal complexes is found to be increased considerably then that of their corresponding ligands and the order is Cu>Ni>Fe>Mn>Co.

  6. 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.

  7. 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.

  8. 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.

    Metal complexes of Ni(II), Co(II), Cd(II), VO(IV) and UO2(VI) as well as several Cu(II) salts, including Cl,NO3-,AcO,ClO4- and SO4-2 with a tridentate O2N donor Schiff base ligand (H2L), 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.

  9. Synthesis and biological evaluation of novel 5-alkyl-2-arylthio-6-((3,4-dihydroquinolin-1(2H)-yl)methyl)pyrimidin-4(3H)-ones as potent non-nucleoside HIV-1 reverse transcriptase inhibitors.

    Science.gov (United States)

    Zhang, Jing; Zhan, Peng; Wu, Jingde; Li, Zhenyu; Jiang, Yan; Ge, Weiying; Pannecouque, Christophe; De Clercq, Erik; Liu, Xinyong

    2011-07-15

    A series of novel S-DABO analogues of 5-alkyl-2-arylthio-6-((3,4-dihydroquinolin-1(2H)-yl)methyl)pyrimidin-4(3H)-ones were synthesized and evaluated as inhibitors of human immunodeficiency virus type-1 (HIV-1). Among them, the most potent HIV-1 inhibitors were compounds 6c1,6c6, and 6b1 (EC(50)=0.24 ± 0.05, 0.38 ± 0.13, 0.39 ± 0.05 μM, respectively), which possess improved or similar HIV-1 inhibitory activity compared with nevirapine (NVP) (EC(50)=0.21 μM) and delavirdine (DLV) (EC(50)=0.32 μM). None of these compounds were active against HIV-2 replication. Furthermore, enzyme inhibitory assays were performed with selected derivatives against HIV-1 wtRT, confirming that the main target of these compounds is the HIV-1 RT and these new S-DABOs are acting as NNRTIs. The preliminary structure-activity relationship (SAR) of these new congeners is discussed briefly and rationalized by docking studies.

  10. 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.

  11. 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.

  12. Syntheses and Structural Researches of Yb3+ Complexes with Nitrilotriacetic Acids--Nine-coordinate K3[Yb(nta)2(H2O)]·5H2O and Eight-coordinate Na3[Yb(nta)2]·6H2O Complexes

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Yb3+ complexes with two nitrilotriacetic acid molecules were prepared and their compositions were determined as K3[Yb(nta)2(H2O)]*5H2O and Na3[Yb(nta)2]*6H2O by elemental analyses. Their structures were characterized by single-crystal X-ray diffraction analyses. In complex K3[Yb(nta)2(H2O)]*5H2O, the YbN2O7 part forms a nine-coordinate monocapped square antiprismatic structure. In complex Na3[Yb(nta)2]*6H2O, the YbN2O6 part forms an eight-coordinate square antiprismatic structure. It can be seen that the outer cations (K+ and Na+) greatly affect the coordination number and coordinate structure from these results.

  13. The Hydrothermal NH 4/V/P/H 2O and K/v/p/n(c 2H 5) 3/H 2O Systems at 473 K and the Crystal Structures of NH 4VOPO 4and (nh 4) 3V 2O 3(VO)(PO 4) 2(HPO 4)

    Science.gov (United States)

    Schindler, Michael; Joswig, Werner; Baur, Werner H.

    1997-12-01

    An examination of the NH 4/VO 5/P/H 2O system at 473 K under hydrothermal conditions yielded the (NH 4) 3V 2O 3(VO)(PO 4) 2(HPO 4) and NH 4VOPO 4phases. The crystal structure of the first compound is isotypical with the corresponding Tl +and K +phases. The cations NH +4and Tl +have similar coordinations against oxygen. The investigation of the crystal structure of the second compound (space group Pn2 n) shows it to be related to other ABO TO 4phases of the potassium titanyl phosphate type with A=Na +, Ag +, NH +4, Rb +, K +, and Tl +, and B=Ti 4+, V 4+, Sn 4+, Fe 4+, Ge 4+, Ga 3+, Zr 4+, Sb 5+, and Nb 5+, and T=P 5+, Ge 4+, Si 4+, and As 5+, but none of them crystallize in space group Pn2 n. In the K/V/P/N(C 2H 5) 3/H 2O system, three different K phases were found: K 0.5VOPO 4·1.5H 2O, KVOPO 4, and K-FVP-1 (Frankfurt vanadium phosphate, one, or for short, FVP-1). The microporous K-FVP-1 compound was synthesized in a similar pH range as the isotypic Na-FVP-1 phase. The V 4+/V 5+ratio of K-FVP-1 varies from 3.5(1)/1.5(1) to 1.6(1)/3.4(1) and the corresponding lattice constants range from 16.0013(6) to 15.7665(4) Å.

  14. Chemically activated reactions on the C7H5 energy surface: propargyl + diacetylene, i-C5H3 + acetylene, and n-C5H3 + acetylene.

    Science.gov (United States)

    da Silva, Gabriel; Trevitt, Adam J

    2011-05-21

    This study uses computational chemistry and statistical reaction rate theory to investigate the chemically activated reaction of diacetylene (butadiyne, C(4)H(2)) with the propargyl radical (C˙H(2)CCH) and the reaction of acetylene (C(2)H(2)) with the i-C(5)H(3) (CH(2)CCCC˙H) and n-C(5)H(3) (CHCC˙HCCH) radicals. A detailed G3SX-level C(7)H(5) energy surface demonstrates that the C(3)H(3) + C(4)H(2) and C(5)H(3) + C(2)H(2) addition reactions proceed with moderate barriers, on the order of 10 to 15 kcal mol(-1), and form activated open-chain C(7)H(5) species that can isomerize to the fulvenallenyl radical with the highest barrier still significantly below the entrance channel energy. Higher-energy pathways are available leading to other C(7)H(5) isomers and to a number of C(7)H(4) species + H. Rate constants in the large multiple-well (15) multiple-channel (30) chemically activated system are obtained from a stochastic solution of the one-dimensional master equation, with RRKM theory for microcanonical rate constants. The dominant products of the C(4)H(2) + C(3)H(3) reaction at combustion-relevant temperatures and pressures are i-C(5)H(3) + C(2)H(2) and CH(2)CCHCCCCH + H, along with several quenched C(7)H(5) intermediate species below 1500 K. The major products in the n-C(5)H(3) + C(2)H(2) reaction are i-C(5)H(3) + C(2)H(2) and a number of C(7)H(4) species + H, with C(7)H(5) radical stabilization at lower temperatures. The i-C(5)H(3) + C(2)H(2) reaction predominantly leads to C(7)H(4) + H and to stabilized C(7)H(5) products. The title reactions may play an important role in polycyclic aromatic hydrocarbon (PAH) formation in combustion systems. The C(7)H(5) potential energy surface developed here also provides insight into several other important reacting gas-phase systems relevant to combustion and astrochemistry, including C(2)H + the C(3)H(4) isomers propyne and allene, benzyne + CH, benzene + C((3)P), and C(7)H(5) radical decomposition, for which some

  15. From thiourea to bicyclic structures: an original route to imidazo[2,1-b]thiazoles, 5H-thiazolo[3,2-a]pyrimidines, 7H-imidazo[2,1-b][1,3]thiazines, and 2H,6H-pyrimido[2,1-b][1,3]thiazines.

    Science.gov (United States)

    Landreau, Cyrille; Deniaud, David; Meslin, Jean Claude

    2003-06-13

    We report an example of an efficient regioselective synthesis of biheterocyclic compounds using thiourea as starting material. In fact, N,N'-bis(dimethylaminomethylene)thiourea (1), easily prepared by double condensation of N,N-dimethylformamide dimethyl acetal with thiourea, can be reacted with haloketones or acrylic dienophiles to give thiazolic (2) and thiazinic (3) diazadienes, respectively, themselves undergoing cyclization reactions to yield imidazo[2,1-b]thiazoles, 5H-thiazolo[3,2-a]pyrimidines, 7H-imidazo[2,1-b][1,3]thiazines, and 2H,6H-pyrimido[2,1-b][1,3]thiazines without any regioisomeric ambiguity. This straightforward route represents an original and unambiguously regioselective pathway to these valuable heterocycles.

  16. Copper diphosphonates with zero-, one- and two-dimensional structures: ferrimagnetism in layer compound Cu3(ImhedpH)(2).2H2O [ImhedpH4=(1-C3H3N2)CH2C(OH)(PO3H2)2].

    Science.gov (United States)

    Cao, Deng-Ke; Xie, Xiao-Ji; Li, Yi-Zhi; Zheng, Li-Min

    2008-10-07

    Reactions of CuSO4 with 2-(1-imidazole)-1-hydroxy-1,1'-ethylidenediphosphonic acid (ImhedpH4) under hydrothermal conditions at different temperatures lead to four new metal phosphonates: Cu(ImhedpH3)2(H2O).2H2O (), Cu(ImhedpH3)2 (), Cu3(ImhedpH2)2(ImhedpH3)(2).4H2O (), and Cu3(ImhedpH)(2).2H2O (). Compounds and have mononuclear structures in which the Cu atoms adopt square pyramidal and square planar geometries, respectively. In compound , a chain structure is observed where the Cu3(ImhedpH2)2(ImhedpH3)2 trimer units are connected by edge-sharing of the {Cu2O5} square pyramids. Compound exhibits a layer structure made up of Cu3(ImhedpH)2 trimer units. The connection of trimers through corner-sharing of {Cu1O4} and {CPO3} tetrahedra results in a two-dimensional layer containing 8- and 16-membered rings. The imidazole groups are grafted on the two sides of the layer. Magnetic studies reveal that ferromagnetic interactions are mediated in , while for compound , ferrimagnetism is observed below 5.8 K.

  17. Ion-neutral reactions in the ion source of a mixture of CO2/CH3OH, CO2/C2H5OH, and CO2/2-C3H7OH by packed capillary supercritical fluid chromatography-mass spectrometry (SFC-MS).

    Science.gov (United States)

    Ekeberg, Dag; Jablonska-Jentoft, Anja M

    2007-12-01

    Ion neutral reactions in the gas phase in mixtures of ROH/CO(2), R = CH(3), C(2)H(5), and 2-C(3)H(7) were studied by supercritical fluid chromatography-mass spectrometry (SFC-MS). Three main reaction series were found for this system; ionization followed by alpha-cleavage, formation of clusters, and formation of protonated dialkyl ethers from the corresponding alcohol. The ion chemistries were similar for the three alcohols, but that of 2-propanol was somewhat more complex.

  18. Crystal structures of two decavanadates(V with pentaaquamanganese(II pendant groups: (NMe42[V10O28{Mn(H2O5}2]·5H2O and [NH3C(CH2OH3]2[V10O28{Mn(H2O5}2]·2H2O

    Directory of Open Access Journals (Sweden)

    Maurício P. Franco

    2015-02-01

    Full Text Available Two heterometallic decavanadate(V compounds, bis(tetramethylammonium decaaquadi-μ4-oxido-tetra-μ3-oxido-hexadeca-μ2-oxido-hexaoxidodimanganese(IIdecavanadate(V pentahydrate, (Me4N2[V10O28{Mn(H2O5}2]·5H2O, A, and bis{[tris(hydroxymethylmethyl]ammonium} decaaquadi-μ4-oxido-tetra-μ3-oxido-hexadeca-μ2-oxido-hexaoxidodimanganese(IIdecavanadate(V dihydrate, [NH3C(CH2OH3]2[V10O28{Mn(H2O5}2]·2H2O, B, have been synthesized under mild reaction conditions in an aqueous medium. Both polyanions present two [Mn(OH25]2+ complex units bound to the decavanadate cluster through oxide bridges. In A, the decavanadate unit has 2/m symmetry, whereas in B it has twofold symmetry. Apart from this, the main differences between A and B rest on the organic cations, tetramethylammonium and [tris(hydroxymethylmethyl]ammonium, respectively, and on the number and arrangement of the water molecules of crystallization. In both compounds, the H atoms from the coordinating water molecules participate in extensive three-dimensional hydrogen-bonding networks, which link the cluster units both directly and through solvent molecules and, in B, through the `tris' cation hydroxyl groups. The cation in B also participates in N—H...O hydrogen bonds. A number of C—H...O interactions are also observed in both structures.

  19. Structural study of (N{sub 2}H{sub 5},H){sub 2.9}U{sub 1.1}Ce{sub 0.9}(C{sub 2}O{sub 4}){sub 5}·10H{sub 2}O from a conventional X-ray diffraction diagram obtained on a powder synthesized by a fast vortex process

    Energy Technology Data Exchange (ETDEWEB)

    Brackx, E., E-mail: Emmanuelle.brackx@cea.fr [CEA, DEN, DTEC, SGCS, LMAC, Marcoule, 30207 Bagnols sur Cèze (France); Laval, J.P. [Centre Européen de la Céramique, SPCTS, UMR-CNRS 7315, Université de Limoges, Faculté des Sciences, 12 rue Atlantis, 87068 Limoges (France); Dugne, O. [CEA, DEN, DTEC, SGCS, LMAC, Marcoule, 30207 Bagnols sur Cèze (France); Feraud, J.P. [CEA, DEN, DTEC, SGCS, LGCI, Marcoule, 30207 Bagnols sur Cèze (France); Arab-Chapelet, B. [CEA, DEN, DRCP, SCPS, LC2A, Marcoule, 30207 Bagnols sur Cèze (France)

    2015-01-15

    In the context of research on U/minor actinides for nuclear fuel reprocessing in the transmutation process, developments are first studied with surrogates containing uranium and lanthanides to facilitate testing. The tests consist of precipitating and calcining a hydrazinium uranium/cerium oxalate. The structure of this oxalate had not been previously determined, but was necessary to validate the physicochemical mechanisms involved. The present study, firstly demonstrates the structural similarity of the U/Ce oxalate phase (N{sub 2}H{sub 5},H){sub 2.9}U{sub 1.1}Ce{sub 0.9}(C{sub 2}O{sub 4}){sub 5}·10H{sub 2}O, synthesized using a vortex precipitator for continuous synthesis of actinide oxalates, with previously known oxalates, crystallizing in P6{sub 3}/mmc symmetry, obtained by more classical methods. This fast precipitation process induces massive nucleation of fine powders. Their structural and microstructural determination confirms that the raw and dried phases belong to the same structural family as (NH{sub 4}){sub 2}U{sub 2}(C{sub 2}O{sub 4}){sub 5}·0.7H{sub 2}O whose structure was described by Chapelet-Arab in P6{sub 3}/mmc symmetry, using single crystal data. However, they present an extended disorder inside the tunnels of the structure, even after drying at 100 °C, between water and hydrazinium ions. This disorder is directly related to the fast vortex method. This structure determination can be used as a basis for further semi-quantitative analysis on the U/minor actinides products formed under various experimental conditions. - Highlights: • Uranium cerium oxalate precipitate characterization by X-ray powder diffraction. • Morphology characterization by SEM analysis. • Structure determination by unit cell Rietveld refinement.

  20. ON THE FORMATION AND ISOMER SPECIFIC DETECTION OF PROPENAL (C{sub 2}H{sub 3}CHO) AND CYCLOPROPANONE (c-C{sub 3}H{sub 4}O) IN INTERSTELLAR MODEL ICES—A COMBINED FTIR AND REFLECTRON TIME-OF-FLIGHT MASS SPECTROSCOPIC STUDY

    Energy Technology Data Exchange (ETDEWEB)

    Abplanalp, Matthew J.; Borsuk, Aleca; Jones, Brant M.; Kaiser, Ralf I., E-mail: ralfk@hawaii.edu [W. M. Keck Research Laboratory in Astrochemistry, University of Hawaii at Manoa, Honolulu, Hawaii, HI, 96822 (United States)

    2015-11-20

    The formation routes of two structural isomers—propenal (C{sub 2}H{sub 3}CHO) and cyclopropanone (c-C{sub 3}H{sub 4}O)—were investigated experimentally by exposing ices of astrophysical interest to energetic electrons at 5.5 K thus mimicking the interaction of ionizing radiation with interstellar ices in cold molecular clouds. The radiation-induced processing of these ices was monitored online and in situ via Fourier Transform Infrared spectroscopy and via temperature programmed desorption exploiting highly sensitive reflectron time-of-flight mass spectrometry coupled with single photon ionization in the post irradiation phase. To selectively probe which isomer(s) is/are formed, the photoionization experiments were conducted with 10.49 and 9.60 eV photons. Our studies provided compelling evidence on the formation of both isomers—propenal (C{sub 2}H{sub 3}CHO) and cyclopropanone (c-C{sub 3}H{sub 4}O)—in ethylene (C{sub 2}H{sub 4})—carbon monoxide (CO) ices forming propenal and cyclopropanone at a ratio of (4.5 ± 0.9):1. Based on the extracted reaction pathways, the cyclopropanone molecule can be classified as a tracer of a low temperature non-equilibrium chemistry within interstellar ices involving most likely excited triplet states, whereas propenal can be formed at ultralow temperatures, but also during the annealing phase via non-equilibrium as well as thermal chemistry (radical recombination). Since propenal has been detected in the interstellar medium and our laboratory experiments demonstrate that both isomers originated from identical precursor molecules our study predicts that the hitherto elusive second isomer—cyclopropanone—should also be observable toward those astronomical sources such as Sgr B2(N) in which propenal has been detected.

  1. 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.

  2. 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.

  3. A new family of spin crossover complexes with a tripod ligand containing three imidazoles: synthesis, characterization, and magnetic properties of [FeIIH3LMe](NO3)2.1.5H2O, [FeIIILMe].3.5H2O, [FeIIH3LMe][FeIILMe]NO3, and [FeIIH3LMe][FeIIILMe](NO3)2 (H3LMe) = Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine).

    Science.gov (United States)

    Ikuta, Yuichi; Ooidemizu, Makoto; Yamahata, Yuichi; Yamada, Masahiro; Osa, Shutaro; Matsumoto, Naohide; Iijima, Seiichiro; Sunatsuki, Yukinari; Kojima, Masaaki; Dahan, Françoise; Tuchagues, Jean-Pierre

    2003-11-03

    A new family of spin crossover complexes, [Fe(II)H(3)L(Me)](NO(3))(2).1.5H(2)O (1), [Fe(III)L(Me)].3.5H(2)O (2), [Fe(II)H(3)L(Me)][Fe(II)L(Me)]NO(3) (3), and [Fe(II)H(3)L(Me)][Fe(III)L(Me)](NO(3))(2) (4), has been synthesized and characterized, where H(3)L(Me) denotes a hexadentate N(6) tripod ligand containing three imidazole groups, tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine. It was found that the spin and oxidation states of the iron complexes with this tripod ligand are tuned by the degree of deprotonation of the imidazole groups and by the 2-methyl imidazole substituent. Magnetic susceptibility and Mössbauer studies revealed that 1 is an HS-Fe(II) complex, 2 exhibits a spin equilibrium between HS and LS-Fe(III), 3 exhibits a two-step spin transition, where the component [Fe(II)L(Me)](-) with the deprotonated ligand participates in the spin transition process in the higher temperature range and the component [Fe(II)H(3)L(Me)](2+) with the neutral ligand participates in the spin transition process in the lower temperature range, and 4 exhibits spin transition of both the Fe(II) and Fe(III) sites. The crystal structure of 3 consists of homochiral extended 2D puckered sheets, in which the capped tripodlike components [Fe(II)H(3)L(Me)](2+) and [Fe(II)L(Me)](-) are alternately arrayed in an up-and-down mode and are linked by the imidazole-imidazolate hydrogen bonds. Furthermore, the adjacent 2D homochiral sheets are stacked in the crystal lattice yielding a conglomerate as confirmed by the enantiomeric circular dichorism spectra. Compounds 3 and 4 showed the LIESST (light induced excited spin state trapping) and reverse-LIESST effects upon irradiation with green and red light, respectively.

  4. Ligand and substrate effects in gas-phase reactions of NiX(+)/RH couples (X=F, Cl, Br, I; R=CH3, C2H5, nC3H7, nC4H9).

    Science.gov (United States)

    Schlangen, Maria; Schröder, Detlef; Schwarz, Helmut

    2007-01-01

    The reactions of small saturated hydrocarbons by gaseous nickel cations NiX+ (X=F, Cl, Br, I) are investigated by means of electrospray ionization mass spectrometry. The halide cations are obtained from solutions of the corresponding Ni(II) salts in water or methanol as solvents. NiF+ is the only Ni(II) halide complex that brings about thermal activation of methane. The branching ratios of the observed reactions with C2H6, C3H8, and nC4H10 are shifted systematically by changing the nature of both the ligand X and the substrate RH. In the elimination of HX (X=F, Cl, Br, I), the formal oxidation state of the metal ion appears to be conserved, and the importance of this reaction channel decreases in going from NiF+ to NiI+. A reversed trend is observed in the losses of small closed-shell neutral molecules, that is, H2, CH4 and C2H6, which dominate the gas-phase ion chemistry of NiI+/RH couples. Additionally, inner-sphere electron-transfer reactions take place for a few systems, that is, the delivery of hydride or methanide ions from the hydrocarbon to NiX+ in the course of which the hydrocarbon is converted to a carbenium ion and the cationic metal complex gives rise to a neutral RNiX molecule (R=H, CH3). This process gains importance with decreasing atomic number of the halides and with increasing the size of the alkane. Thus, it constitutes the major pathway in the reactions of NiF+ with propane and n-butane, whereas it is not observed for any of the NiI+/RH couples investigated. Concerning the regioselectivity of the reactions with propane and n-butane, heterolytic cleavage of secondary carbon--hydrogen bonds is clearly preferred compared to that of primary ones, as revealed by deuterium labeling studies. For the NiF+/C3H8 couple, the selectivity of the hydride transfer is as large as 360 in favor of the secondary positions. Though smaller, large preferences for the activation of secondary C--H bonds are also operative in homolytic bond activation of RH (R=nC3H7, n

  5. Crystal structure of new uranyl oxalates (NH{sub 4}){sub 2}[UO{sub 2}(C{sub 2}O{sub 4}){sub 2}.H{sub 2}O].2H{sub 2}O and (NH{sub 4}){sub 2-x}(N{sub 2}H{sub 5}){sub x}[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}].3H{sub 2}O (x = 0 and x = 1). Comparison with other uranyl oxalates

    Energy Technology Data Exchange (ETDEWEB)

    Chapelet-Arab, B. [Lab. de Cristallochimie et Physicochimie du Solide, UMR CNRS, Villeneuve d' Ascq (France); Lab. de Chimie des Actinides, CEA VALRHO/DRCP/SCPS, Bagnols sur Ceze (France); Nowogrocki, G.; Abraham, F. [Lab. de Cristallochimie et Physicochimie du Solide, UMR CNRS, Villeneuve d' Ascq (France); Grandjean, S. [Lab. de Chimie des Actinides, CEA VALRHO/DRCP/SCPS, Bagnols sur Ceze (France)

    2005-07-01

    Two new ammonium uranyl oxalates (NH{sub 4}){sub 2}[UO{sub 2}(C{sub 2}O{sub 4}){sub 2}H{sub 2}O].2H{sub 2}O (1) and (NH{sub 4}){sub 2}[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}].3H{sub 2}O (2) and one mixed ammonium hydrazinium uranyl oxalate (NH{sub 4})(N{sub 2}H{sub 5})[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}].3H{sub 2}O (3) have been prepared. The crystal structures of the three compounds have been determined by single-crystal X-ray diffraction. The crystal structures were solved by the Patterson method and Fourier difference techniques, and refined by a least square method on the basis of F{sup 2} for all unique reflections. Crystallographic data: 1, hexagonal, space group P6{sub 1}22, a = 8.143(2) Aa, c = 36.179(18) Aa, Z = 6, R1 = 0.0268 for 105 parameters with 1223 reflections with I {>=} 2{sigma}(I); 2, monoclinic, space group P2{sub 1}/n, a = 8.705(3) Aa, b = 19.454(6) Aa, c = 5.5105(18) Aa, {beta} = 101.741(5) , Z = 2, R1 = 0.0314 for 139 parameters with 2059 reflections with I {>=} 2{sigma}(I); 3, monoclinic, space group P2{sub 1}/n, a = 8.958(3) Aa, b = 19.601(7) Aa, c = 11.007(4) Aa, {beta} = 112.928(5) , Z = 4, R1 = 0.0363 for 131 parameters with 3346 reflections with I {>=} 2{sigma}(I). The crystal structure of 1 contains [UO{sub 2}(C{sub 2}O{sub 4}){sub 2}.H{sub 2}O]{sup 2-} anions, NH{sub 4}{sup +} cations and water molecules. In the anion, the linear uranyl group is coordinated by two bidentate oxalate anions and one water molecule giving a pentagonal bipyramidal environment for the uranium atom. The structures of 2 and 3 consist of two-dimensional networks built from uranyl and oxalate ions forming hexagonal rings. The oxalate ions are tetradentate, each bridging two uranyl ions which are coordinated by three oxalate groups to give distorted hexagonal bipyramidal environments for the uranium atoms. In 3, the ammonium and hydrazinium ions are ordered in successive layers. The various possible coordinations for the uranyl cation and the great

  6. 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.

  7. 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

  8. Channels with ordered water and bipyridine mol-ecules in the porous coordination polymer {[Cu(SiF6)(C10H8N2)2]·2C10N2H5H2O} n.

    Science.gov (United States)

    Aubert, Emmanuel; Doudouh, Abdelatif; Peluso, Paola; Mamane, Victor

    2016-11-01

    The coordination polymer {[Cu(SiF6)(C10H8N2)2]·2C10H8N2·5H2O} n , systematic name: poly[[bis-(μ2-4,4'-bi-pyridine)(μ2-hexa-fluorido-silicato)copper(II)] 4,4'-bi-pyridine disolvate penta-hydrate], contains pores which are filled with water and 4,4'-bi-pyridine mol-ecules. As a result of the presence of these ordered species, the framework changes its symmetry from P4/mmm to P21/c. The 4,4'-bi-pyridine guest mol-ecules form chains inside the 6.5 × 6.9 Å pores parallel to [100] in which the mol-ecules inter-act through π-π stacking. Ordered water mol-ecules form infinite hydrogen-bonded chains inside a second pore system (1.6 × 5.3 Å free aperture) perpendicular to the 4,4'-bi-pyridine channels.

  9. Crystal and molecular structure of the coordination compounds of Er{sup 3+} with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL{sub 2}{sup 1}(NO{sub 3}){sub 2}]{sub 2}[Er(NO{sub 3}){sub 2}(H{sub 2}O){sub 5}]{sub 0.333}(NO{sub 3}){sub 2.333} · 2.833H{sub 2}O and its ethyl substituted derivative [ErL{sub 2}{sup 2}(NO{sub 3}){sub 2}][Er(NO{sub 3}){sub 5}]{sub 0.5} · 0.5H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Polyakova, I. N., E-mail: polyakova@igic.ras.ru [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Baulin, V. E. [Russian Academy of Sciences, Frumkin Institute of Physical Chemistry and Electrochemistry (Russian Federation); Ivanova, I. S.; Pyatova, E. N.; Sergienko, V. S. [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Tsivadze, A. Yu. [Russian Academy of Sciences, Frumkin Institute of Physical Chemistry and Electrochemistry (Russian Federation)

    2015-01-15

    The coordination compounds of Er{sup 3+} with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL{sub 2}{sup 1}(NO{sub 3}){sub 2}]{sub 2}[Er(NO{sub 3}){sub 2}(H{sub 2}O){sub 5}]{sub 0.333}(NO{sub 3}){sub 2.333} · 2.833H{sub 2}O (I) and its ethyl substituted derivative [ErL{sub 2}{sup 2}(NO{sub 3}){sub 2}][Er(NO{sub 3}){sub 5}]{sub 0.5} · 0.5H{sub 2}O (II) are synthesized and their crystal structures are studied. I and II contain [ErL{sub 2}(NO{sub 3}){sub 2}]{sup +} complex cations of identical composition and close structure. The eight-vertex polyhedron of the Er atom in the shape of a distorted octahedron with two split trans vertices is formed by the O atoms of the phosphoryl groups of L ligands and nitrate anions. L ligands close nine-membered metallocycles. The structures contain spacious channels which are populated differently, namely, by disordered [Er(NO{sub 3}){sub 2}(H{sub 2}O){sub 5}]{sup +} complex cations, NO{sub 3}{sup −} anions, and crystallization water molecules in I and disordered [Er(NO{sub 3}){sub 5}]{sup 2−} complex anions and crystallization water molecules in II. The IR spectra of I and II are studied.

  10. ГИДРОХИМИЧЕСКИЙ СИНТЕЗ СИЛИКАТОВ КАЛЬЦИЯ В СИСТЕМАХ CACL2-NA2SIO3-H2O, CASO4·2H2O-NA2SIO3-H2O, CASO4·2H2O-SIO2·NH2O-KOH. СОСТАВ, СТРУКТУРА, СВОЙСТВА

    OpenAIRE

    2009-01-01

    Представлены результаты исследования процессов гидрохимического синтеза силикатов кальция. Определены особенности кинетики синтеза силикатов кальция в системе CaSO4·2H2O-Na2SiO3-H2O. Изучены состав, структура и основные физико-химические свойства полученных силикатов кальция методами рентгенофазового, термогравиметрического анализа, инфракрасной спектроскопии, сканирующей электронной и атомносиловой микроскопии....

  11. The Synthetic of 5H -Furanone%5H -呋喃酮的合成

    Institute of Scientific and Technical Information of China (English)

    张广省

    2015-01-01

    The compounds with structure of 5H -furanones exist in a large number of natural products , and show a wide range of biological activities .5 H -furanone is organic synthesis of five ring lactone compounds key intermediates , some spices can be used for material and natural product synthesis , drug and biological substances is important in the Status . This text used in the synthesis of a new line to furfural and N ,N -Dimethyla cetamide and Formic acid and Hydrogen peroxide as the main raw material, the oxide of cis -obtained target product.%含5H -呋喃酮结构的化合物广泛存在于天然物质当中,具有多种生物活性。5H -呋喃酮是有机合成中合成五元内酯化合物的重要中间体,可用于一些香料物质和天然产物的合成,在药物和生物活性物质中具有重要的地位。本文中采用了全新的合成路线,以糠醛、二甲基乙醇胺、甲酸、双氧水为主要的原料,经氧化合成得到目标产物。

  12. Electronic transitions of C5H+ and C5H: neon matrix and CASPT2 studies

    Science.gov (United States)

    Fulara, Jan; Nagy, Adam; Chakraborty, Arghya; Maier, John P.

    2016-06-01

    Two electronic transitions at 512.3 and 250 nm of linear-C5H+ are detected following mass-selective deposition of m/z = 61 cations into a 6 K neon matrix and assigned to the 1 1Π←X 1Σ+ and 1 1Σ+←X 1Σ+ systems. Five absorption systems of l-C5H with origin bands at 528,7, 482.6, 429.0, 368.5, and 326.8 nm are observed after neutralization of the cations in the matrix and identified as transitions from the X 2Π to 1 2Δ, 1 2Σ -, 1 2Σ+, 2 2Π, and 3 2Π electronic states. The assignment to specific structures is based on calculated excitation energies, vibrational frequencies in the electronic states, along with simulated Franck-Condon profiles.

  13. Electronic transitions of C5H(+) and C5H: neon matrix and CASPT2 studies.

    Science.gov (United States)

    Fulara, Jan; Nagy, Adam; Chakraborty, Arghya; Maier, John P

    2016-06-28

    Two electronic transitions at 512.3 and 250 nm of linear-C5H(+) are detected following mass-selective deposition of m/z = 61 cations into a 6 K neon matrix and assigned to the 1 (1)Π←X (1)Σ(+) and 1 (1)Σ(+)←X (1)Σ(+) systems. Five absorption systems of l-C5H with origin bands at 528,7, 482.6, 429.0, 368.5, and 326.8 nm are observed after neutralization of the cations in the matrix and identified as transitions from the X (2)Π to 1 (2)Δ, 1 (2)Σ (-), 1 (2)Σ(+), 2 (2)Π, and 3 (2)Π electronic states. The assignment to specific structures is based on calculated excitation energies, vibrational frequencies in the electronic states, along with simulated Franck-Condon profiles.

  14. 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.

  15. 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).

  16. 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.

  17. The interstellar chemistry of C3H and C3H2 isomers

    Science.gov (United States)

    Loison, Jean-Christophe; Agúndez, Marcelino; Wakelam, Valentine; Roueff, Evelyne; Gratier, Pierre; Marcelino, Núria; Reyes, Dianailys Nuñez; Cernicharo, José; Gerin, Maryvonne

    2017-10-01

    We report the detection of linear and cyclic isomers of C3H and C3H2 towards various starless cores and review the corresponding chemical pathways involving neutral (C3Hx with x = 1,2) and ionic (C3Hx+ with x = 1,2,3) isomers. We highlight the role of the branching ratio of electronic dissociative recombination (DR) reactions of C3H2+ and C3H3+ isomers, showing that the statistical treatment of the relaxation of C3H* and C3H2* produced in these DR reactions may explain the relative c,l-C3H and c,l-C3H2 abundances. We have also introduced in the model the third isomer of C3H2 (HCCCH). The observed cyclic-to-linear C3H2 ratio varies from 110 ± 30 for molecular clouds with a total density of about 1 × 104 molecules cm-3 to 30 ± 10 for molecular clouds with a total density of about 4 × 105 molecules cm-3, a trend well reproduced with our updated model. The higher ratio for molecular clouds with low densities is determined mainly by the importance of the H + l-C3H2 → H + c-C3H2 and H + t-C3H2 → H + c-C3H2 isomerization reactions.

  18. 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

  19. [[sup 3]H]imidacloprid: synthesis of a candidate radioligand for the nicotinic acetylcholine receptor

    Energy Technology Data Exchange (ETDEWEB)

    Latli, B.; Casida, J.E. (California Univ., Berkeley, CA (United States). Dept. of Entomological Sciences)

    1992-08-01

    Imidacloprid is an exceptionally potent insecticide known from physiological studies to act at the nicotinic acetylcholine receptor. To prepare [[sup 3]H]imidacloprid as a candidate radioligand, 6-chloronicotinoyl chloride was reduced with NaB[sup 2]H[sub 4] (in model studies) or NaB[sup 3]H[sub 4] in absolute ethanol to 2-chloro-5-pyridinylmethanol which was transformed to 2-chloro-5-chloromethylpyridine on refluxing with thionyl chloride. Coupling with 4,5-dihydro-N-nitro-1H-imidazol-2-amine then gave [[sup 2]H[sub 2

  20. Hydrothermal Synthesis, Crystal Structures and Photoluminescence of Two Novel Metal-organic Supramolecular Frameworks Based on Mixed Ligands of Dipyrazino[2,3f:2'3'-h]quinoxaline and Pyridine-2,5-dicarboxylic Acid

    Institute of Scientific and Technical Information of China (English)

    WANG Xiu-Li; LIU Guo-Cheng; LIN Hong-Yan; CHEN Bao-Kuan; FANG Jia-Ni; ZHAO Hai-Yan

    2008-01-01

    Two novel metal-organic frameworks [Zn2(DlXl)2(2,5-pda)2(H2O)2]·2H2O (1) (dipyrazino[2,3f2'3'-h]quinoxaline=Dpq) and [Cd2(Dpq)2(2,5-pda)2]·2H2O (2) (pyridine-2,5-dicarboxylic acid=2,5-H2pda) have been obtained from hydrothermal reactions of two different metal(II) nitrates with the same mixed ligands Dpq and 2,5-H2pda,and structurally characterized by elemental analyses,TG,IR spectroscopy,and single-crystal X-ray diffraction analyse.Single-crystal X-ray analyses show that the metal ions are bridged by different coordination modes of 2,5-pda to form a dimer in 1,2D rhombic grid in 2,respectively.In the compound 1,adjacent dimers are packed through hydrogen bonds and π-π aromatic stacking interactions to form a distorted a-Po supramolecular structure.In the compound 2,adjacent polymer layers are further linked by hydrogen bonds to form a distorted a-Po 3D supramolecular framework stabilized by π-π stacking interactions.The different structures of compounds 1 and 2 illustrate the influence of the metal ions and ligands on the self-assembly of polymeric coordination architectures.In addition,the title compounds exhibit blue emission in the solid state at room temperature.

  1. Structures of C sub 5 H sub 3 sup +

    Energy Technology Data Exchange (ETDEWEB)

    Weiner, B.; Williams, C.J.; Heaney, D. (Pennsylvania State Univ., DuBois (USA)); Zerner, M.C. (Univ. of Florida, Gainesville (USA))

    1990-09-06

    C{sub 5}H{sub 3}{sup +} isomeric structures are identified and characterized according to their vibrational and electronic spectra for possible identification in sooting flame environments and in model FT-ICR experiments. By using quantum chemical means, it is found that the cyclopropenylium cation is the most stable species (MP2/6-31G*//6-31G*), more stable than the others investigated by at least 20 kcal/mol. An estimate of 375 kcal/mol of the heat of formation of ethynylcyclopropenylium cation is made. The production of C{sub 5}H{sub 3}{sup +} in flames from the decomposition of C{sub 5}H{sub 5}{sup +} into C{sub 5}H{sub 3}{sup +} and H{sub 2} is examined, and this reaction is found to be unlikely, even at the high temperatures reached in sooting flames.

  2. 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; ...

  3. 3H-labelling of myo-inositol at L-C1 minimizes aberrant 3H in nucleotides

    DEFF Research Database (Denmark)

    Christensen, Søren; Jensen, Annelie Kolbjørn; Simonsen, L.O.

    2002-01-01

    aberrant K3H-labelling, inositol phosphate signalling, (3H)myo-inositol labelling, myo-inositol metabolism......aberrant K3H-labelling, inositol phosphate signalling, (3H)myo-inositol labelling, myo-inositol metabolism...

  4. 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

  5. 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.

  6. 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

  7. [3H]Ethynylbicycloorthobenzoate ([3H]EBOB) binding in recombinant GABAA receptors.

    Science.gov (United States)

    Yagle, Monica A; Martin, Michael W; de Fiebre, Christopher M; de Fiebre, NancyEllen C; Drewe, John A; Dillon, Glenn H

    2003-12-01

    Ethynylbicycloorthobenzoate (EBOB) is a recently developed ligand that binds to the convulsant site of the GABAA receptor. While a few studies have examined the binding of [3H]EBOB in vertebrate brain tissue and insect preparations, none have examined [3H]EBOB binding in preparations that express known configurations of the GABAA receptor. We have thus examined [3H]EBOB binding in HEK293 cells stably expressing human alpha1beta2gamma2 and alpha2beta2gamma2 GABAA receptors, and the effects of CNS convulsants on its binding. The ability of the CNS convulsants to displace the prototypical convulsant site ligand, [35S]TBPS, was also assessed. Saturation analysis revealed [3H]EBOB binding at a single site, with a K(d) of approximately 9 nM in alpha1beta2gamma2 and alpha2beta2gamma2 receptors. Binding of both [3H]EBOB and [35S]TBPS was inhibited by dieldrin, lindane, tert-butylbicycloorthobenzoate (TBOB), PTX, TBPS, and pentylenetetrazol (PTZ) at one site in a concentration-dependent fashion. Affinities were in the high nM to low microM range for all compounds except PTZ (low mM range), and the rank order of potency for these convulsants to displace [3H]EBOB and [35S]TBPS was the same. Low [GABA] stimulated [3H]EBOB binding, while higher [GABA] (greater than 10 microM) inhibited [3H]EBOB binding. Overall, our data demonstrate that [3H]EBOB binds to a single, high affinity site in alpha1beta2gamma2 and alpha2beta2gamma2 GABAA receptors, and modulation of its binding is similar to that seen with [35S]TBPS. [3H]EBOB has a number of desirable traits that may make it preferable to [35S]TBPS for analysis of the convulsant site of the GABAA receptor.

  8. Crystal structure of 5,5-bis(4-methylbenzylpyrimidine-2,4,6(1H,3H,5H-trione monohydrate

    Directory of Open Access Journals (Sweden)

    Bhaskarachar Ravi Kiran

    2015-01-01

    Full Text Available The asymmetric unit of the title compound, C20H20N2O3·H2O, contains two independent molecules (A and B, with similar conformations and two independent water molecules. In the crystal, N—H...O and Owater—H...O hydrogen bonds link all moieties into two crystallographically independent kinds of sheets parallel to the ac plane. These independent sheets, each containing either A or B molecules, are further alternately stacked along the b axis and interconnected via C—H...πaryl interactions.

  9. 3-Hexadecyl-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H-dione

    Directory of Open Access Journals (Sweden)

    Rachida Dardouri

    2011-05-01

    Full Text Available In the title molecule, C27H44N2O2, the seven-membered ring adopts a boat-shaped conformation, with two C atoms of the fused benzene ring forming the stern and the methine C atom forming the prow. The hexadecyl substituent occupies an equatorial position, with the aliphatic chain exhibibiting an extended zigzag conformation.

  10. [Behavioral and electroencephalographic study of 7-chloro-1-methyl-5-phenyl-1 H-1,5-benzodiazepine-2,4-(3H,5H)-dione (clobazam)].

    Science.gov (United States)

    Gomita, Y; Morii, M; Ichimaru, Y; Moriyama, M; Ueki, S

    1983-10-01

    Behavioral and electroencephalographic effects of clobazam (CBZ), a 1, 5 benzodiazepine, were investigated in mice, rats and rabbits and compared with the effects of diazepam (DZP) and chlordiazepoxide (CDP). In EEG studies of rabbits, CBZ, DZP and CDP at doses of 2-10 mg/kg, i.v., caused a drowsy pattern, i.e., high voltage slow waves in the frontal cortex and the desynchronization of hippocampal theta wave. EEG arousal responses induced not only by auditory stimulation but also by electric stimulation of the mesencephalic reticular formation were inhibited by CBZ; CBZ was less potent than DZP, but more potent than CDP. On hypothalamic self-stimulation behavior of rats, low rate responses induced by low current brain stimulation, VI or DRL procedure were increased by oral administration of the three drugs. CBZ was less potent than DZP in the above respondings, but the same potency as CDP in VI or DRL responding and more potent in low rate responding induced by low current stimulation. The preventive effect of CBZ on MES convulsion in mice was less potent than DZP, but 2.5 times as potent as CDP. The preventive effect of CBZ was 1.3 times as potent as DZP and 2.5 times as potent as CDP. CBZ reduced the hyperemotionality of olfactory bulbectomized rats, and this effect was less than DZP in suppressing muricide. The muscle relaxant effect of CBZ in inclined screen and rotarod tests of mice was less than that of DZP. CBZ was 2.2 times as potent as CDP in potentiating thiopental sleep in mice, but less than DZP. These results indicate that CBZ is qualitatively similar to 1, 4 benzodiazepines, DZP and CDP, and is more potent than CDP, but less potent than DZP.

  11. Dehydrocoupling of dimethylamine borane catalyzed by Rh(PCy3)2H2Cl.

    Science.gov (United States)

    Sewell, Laura J; Huertos, Miguel A; Dickinson, Molly E; Weller, Andrew S; Lloyd-Jones, Guy C

    2013-04-15

    The Rh(III) species Rh(PCy3)2H2Cl is an effective catalyst (2 mol %, 298 K) for the dehydrogenation of H3B·NMe2H (0.072 M in 1,2-F2C6H4 solvent) to ultimately afford the dimeric aminoborane [H2BNMe2]2. Mechanistic studies on the early stages in the consumption of H3B·NMe2H, using initial rate and H/D exchange experiments, indicate possible dehydrogenation mechanisms that invoke turnover-limiting N-H activation, which either precedes or follows B-H activation, to form H2B═NMe2, which then dimerizes to give [H2BNMe2]2. An additional detail is that the active catalyst Rh(PCy3)2H2Cl is in rapid equilibrium with an inactive dimeric species, [Rh(PCy3)H2Cl]2. The reaction of Rh(PCy3)2H2Cl with [Rh(PCy3)H2(H2)2][BAr(F)4] forms the halide-bridged adduct [Rh(PCy3)2H2(μ-Cl)H2(PCy3)2Rh][BAr(F)4] (Ar(F) = 3,5-(CF3)2C6H3), which has been crystallographically characterized. This dinuclear cation dissociates on addition of H3B·NMe2H to re-form Rh(PCy3)2H2Cl and generate [Rh(PCy3)2H2(η(2)-H3B·NMe2H)][BAr(F)4]. The fate of the catalyst at low catalyst loadings (0.5 mol %) is also addressed, with the formation of an inactive borohydride species, Rh(PCy3)2H2(η(2)-H2BH2), observed. On addition of H3B·NMe2H to Ir(PCy3)2H2Cl, the Ir congener Ir(PCy3)2H2(η(2)-H2BH2) is formed, with concomitant generation of the salt [H2B(NMe2H)2]Cl.

  12. Identification of C4H5, C4H4, C3H3 and CH3 radicals produced from the reaction of atomic carbon with propene: Implications for the atmospheres of Titan and giant planets and for the interstellar medium

    Science.gov (United States)

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

    2013-01-01

    We observed the products C4H5, C4H4, C3H3 and CH3 of the C(3P) + C3H6 reaction using product time-of-flight spectroscopy and selective photoionization. The identified species arise from the product channels C4H5 + H, C4H4 + 2H and C3H3 + CH3. Product isomers were identified via measurements of photoionization spectra and calculations of adiabatic ionization energy. Product C4H5 probably involves three isomers HCCCHCH3, H2CCCCH3 and H2CCCHCH2. In contrast, products C4H4 and C3H3 involve exclusively HCCCHCH2 and H2CCCH, respectively. Reaction mechanisms are unraveled with crossed-beam experiments and quantum-chemical calculations. The 3P carbon atom attacks the π orbital of propene (C3H6) to form a cyclic complex c-H2C(C)CHCH3 that rapidly opens the ring to form H2CCCHCH3 followed by decomposition to HCCCHCH3/H2CCCCH3/H2CCCHCH2 + H and H2CCCH + CH3; the corresponding branching ratios are 7:5:10:78 predicted with RRKM calculations at collision energy 4 kcal mol-1. Nascent C4H5 with enough internal energy further decomposes to HCCCHCH2 + H. Ratios of products C4H5, C4H4 and C3H3 are experimentally evaluated to be 17:8:75. This work provides a comprehensive look at product channels of the title reaction and gives implications for the formation of hydrocarbons in extra-terrestrial environments such as Titan and carbon-rich interstellar media. We suggest that the title reaction, hitherto excluded in any chemical networks, needs to be taken into account at least in the atmosphere of Titan and carbon-rich molecular clouds where rapid neutral-neutral reactions are dominant and carbon atoms and propene are abundant.

  13. Thermodynamic Modeling of the SRS Evaporators: Part II. The 3H System

    Energy Technology Data Exchange (ETDEWEB)

    Jantzen, C.M.

    2001-10-02

    Accumulations of two solid phases have formed scale deposits in the Savannah River Site 2H Evaporator system since late 1996. The aluminosilicate scale deposits caused the evaporator pot to become inoperable in October 1999. Accumulations of the diuranate phase have caused criticality concerns in the SRS 2H Evaporator. In order to ensure that similar deposits are not and will not form in the SRS 3H Evaporator, thermodynamically derived activity diagrams specific to the feeds processed from Tanks 30 and 32 are evaluated in this report.

  14. 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

  15. 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.

  16. 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.

  17. Synthesis of 4-Halo-2 ( 5H )-furanones and Their Suzuki-Coupling Reactions with Organoboronic Acids.A General Route to 4-Aryl-2 ( 5 H ) - furanones

    Institute of Scientific and Technical Information of China (English)

    MA,Sheng-Ming(麻生明); SHI,zhang-Jie(施章杰)

    2001-01-01

    4-Halo-2(5H)-furanones were prepared by the halolactoniza-tion of 2,3-allenoic acids.The subsequent Suzuki coupling reaction of 4-halo-2(5H)-furanones with aryl boronic acids was carried out to produce 4-aryl-2(5H).furanones in excellent yields.``

  18. 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...

  19. THz spectroscopy of D2H+

    Science.gov (United States)

    Yu, S.; Pearson, J. C.; Amano, T.; Matsushima, F.

    2017-01-01

    We extended the measurements of the rotational transitions of D2H+ up to 3 THz by using the JPL frequency multiplier chains and a TuFIR system at Toyama. D2H+ was generated in an extended negative glow discharge cell cooled to liquid nitrogen temperature. We observed five new THz lines. All the available rotational transition frequencies together with the combination differences derived from the three fundamental bands were subject to least square analysis to determine the molecular constants. New THz measurements are definitely useful for better characterization of spectroscopic properties. The improved molecular constants provide better predictions of other unobserved rotational transitions.

  20. Depolarization-induced release of [(3)H]D-aspartate from GABAergic neurons caused by reversal of glutamate transporters

    DEFF Research Database (Denmark)

    Jensen, J B; Pickering, D S; Schousboe, A;

    2000-01-01

    was blocked by 6-chloro-3,4-dihydro-3-(2-norbornen-5-yl)-2H-1,2, 4-benzothiadiazine-7-sulphonamide-1,1-dioxide (cyclothiazide). Under the non-desensitizing conditions, the AMPA-induced release of [(3)H]D-aspartate was highly enhanced showing about a 10-fold increase over basal release. Addition of cobalt...

  1. HIV-1 Vif adaptation to human APOBEC3H haplotypes.

    Science.gov (United States)

    Ooms, Marcel; Brayton, Bonnie; Letko, Michael; Maio, Susan M; Pilcher, Christopher D; Hecht, Frederick M; Barbour, Jason D; Simon, Viviana

    2013-10-16

    Several human APOBEC3 deaminases can inhibit HIV-1 replication in vitro. HIV-1 Vif counteracts this restriction by targeting APOBEC3 for proteasomal degradation. Human APOBEC3H (A3H) is highly polymorphic, with natural variants differing considerably in anti-HIV-1 activity in vitro. To examine HIV-1 adaptation to variation in A3H activity in a natural infection context, we determined the A3H haplotypes and Vif sequences from 76 recently infected HIV-1 patients. We detected A3H-specific Vif changes suggesting viral adaptation. The patient-derived Vif sequences were used to engineer viruses that specifically differed in their ability to counteract A3H. Replication of these Vif-variant viruses in primary T cells naturally expressing active or inactive A3H haplotypes showed that endogenously expressed A3H restricts HIV-1 replication. Proviral DNA from A3H-restricted viruses showed high levels of G-to-A mutations in an A3H-specific GA dinucleotide context. Taken together, our data validate A3H expressed at endogenous levels as a bona fide HIV-1 restriction factor.

  2. Metabolism of orally administered (/sup 3/H)ergocalciferol and (/sup 3/H)cholecalciferol by dairy calves

    Energy Technology Data Exchange (ETDEWEB)

    Sommerfeldt, J.L.; Napoli, J.L.; Littledike, E.T.; Beitz, D.C.; Horst, R.L.

    1983-12-01

    Concentrations of ergocalciferol, cholecalciferol, and their metabolites in plasma were determined after a single oral dose of (/sup 3/H)ergocalciferol or (/sup 3/H)cholecalciferol was given to 95- to 105-kg Jersey bull calves. One group (three calves) was given 365 muCi of (/sup 3/H)ergocalciferol (1.2 Ci/mmol) per calf, and the other group (three calves) was given 365 muCi of (/sup 3/H)cholecalciferol (1.2 Ci/mmol) per calf. Fourteen blood samples were taken from each calf during the 3 weeks after administration. Total plasma radioactivity was highest at 80 hours in both groups (8400 dpm/ml and 4600 dpm/ml in the (/sup 3/H)cholecalciferol- and (/sup 3/H)ergocalciferol-treated calves, respectively). For determination of the time-dependent appearance and disappearance of plasma vitamin D and vitamin D metabolites, the plasma /sup 3/H-labeled steroids were extracted and separated by high-performance liquid chromatography. In both groups, (/sup 3/H)vitamin D peaked at 24-48 hours and was the predominant radioactive form in plasma 10-15 hours after dosing. After 15 hours, 25-(/sup 3/H)hydroxyvitamin D became the predominant labeled metabolite, reaching its maximal concentration between 48 and 96 hours. Concentrations of 25-(/sup 3/H)hydroxycholecalciferol were about twice those of 25-(/sup 3/H)hydroxyergocalciferol. The appearance/disappearance profile of 25,26-(/sup 3/H)dihydroxycholecalciferol and 1,25(/sup 3/H)hydroxycholecalciferol resembled that of 25-(/sup 3/H)hydroxycholecalciferol.

  3. Expeditious diastereoselective synthesis of elaborated ketones via remote Csp3-H functionalization

    Science.gov (United States)

    Shu, Wei; Lorente, Adriana; Gómez-Bengoa, Enrique; Nevado, Cristina

    2017-01-01

    The quest for selective C-H functionalization reactions, able to provide new strategic opportunities for the rapid assembly of molecular complexity, represents a major focus of the chemical community. Examples of non-directed, remote Csp3-H activation to forge complex carbon frameworks remain scarce due to the kinetic stability and thus intrinsic challenge associated to the chemo-, regio- and stereoselective functionalization of aliphatic C-H bonds. Here we describe a radical-mediated, directing-group-free regioselective 1,5-hydrogen transfer of unactivated Csp3-H bonds followed by a second Csp2-H functionalization to produce, with exquisite stereoselectivity, a variety of elaborated fused ketones. This study demonstrates that aliphatic acids can be strategically harnessed as 1,2-diradical synthons and that secondary aliphatic C-H bonds can be engaged in stereoselective C-C bond-forming reactions, highlighting the potential of this protocol for target-oriented natural product and pharmaceutical synthesis.

  4. Partial chemical characterization of cyclopyrrolones ((/sup 3/H) suriclone) and benzodiazepines ((/sup 3/H)flunitrazepam) binding site: Differences

    Energy Technology Data Exchange (ETDEWEB)

    Zundel, J.L.; Blanchard, J.C.; Julou, L.

    1985-06-10

    Rat hippocampus membranes were treated with several protein modifying reagents (iodoacetamide, N-ethylmaleimide, tetranitromethane and N-acetylimidazole). The effects of these treatments on the binding sites of cyclopyrrolones ((/sup 3/H) suriclone), a new chemical family of minor tranquilizers, and benzodiazepines ((/sup 3/H) flunitrazepam) were investigated. Here the authors show that both ligands are similarly sensitive to cysteine alkylation: (/sup 3/H) suriclone and (/sup 3/H) flunitrazepam binding are reduced by iodoacetamide and slightly increased by N-ethylmaleimide. On the contrary they are clearly differentiated by tyrosine modification: (/sup 3/H) suriclone binding is not changed whereas (/sup 3/H) flunitrazepam binding is increased by tetranitromethane and decreased by N-acetylimidazole. The present findings and published evidence suggest cyclopyrrolones and benzodiazepines bind to distinct sites or to different allosteric forms of the benzodiazepine receptor. 28 references, 6 figures.

  5. 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 ...

  6. 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.

  7. Thermolysis and solid state NMR studies of NaB3H8, NH3B3H7, and NH4B3H8.

    Science.gov (United States)

    Huang, Zhenguo; Eagles, Mitch; Porter, Spencer; Sorte, Eric G; Billet, Beau; Corey, Robert L; Conradi, Mark S; Zhao, Ji-Cheng

    2013-01-21

    In an effort to broaden the search for high-capacity hydrogen storage materials, three triborane compounds, NaB(3)H(8), NH(3)B(3)H(7), and NH(4)B(3)H(8), were studied. In addition to hydrogen, thermal decomposition also releases volatile boranes, and the relative amounts and species depend on the cations (Na(+), NH(4)(+)) and the Lewis base (NH(3)). Static-sample hydrogen NMR is used to probe molecular motion in the three solids. In each case, the line width decreases from low temperatures to room temperature in accordance with a model of isotropic or nearly isotropic reorientations. Such motions also explain a deep minimum in the relaxation time T(1). Translational diffusion never appears to be rapid on the 10(-5) s time scale of NMR.

  8. Palladium(0)-Catalyzed Benzylic C(sp(3))-H Functionalization for the Concise Synthesis of Heterocycles and Its Applications.

    Science.gov (United States)

    Tsukano, Chihiro

    2017-01-01

    C-H functionalization reactions involve the activation of otherwise unreactive C-H bonds, and represent atom economical methods for the direct transformation of simple substrates to complex molecules. While transition metal-catalyzed C(sp(2))-H functionalization reactions are regularly used in synthesis, C(sp(3))-H functionalization is rarely applied to the synthesis of complex natural products because of the difficulties associated with controlling selectivity. With this in mind, we focused on the development of new palladium (Pd)(0)-catalyzed C(sp(3))-H functionalization reactions for the synthesis of complex molecules, resulting in several new methods capable of solving these problems. We initially developed a concise synthetic method for the facile construction of oxindoles and spirooxindoles via a Pd-catalyzed benzylic C(sp(3))-H functionalization reaction. This method was subsequently extended to the synthesis of various heterocycles, including 2-arylindoles, benzocarbazole, indolocarbazole, indoloquinazolinone, and indoloquinazolinedione, as well as the total synthesis of several pyrrolophenanthridine alkaloids without the need for any protecting groups. This method was also successfully applied to the synthesis of the right-hand fragment of benzohopane from tetrahydro-2H-fluorene, which was constructed by a Pd-catalyzed benzylic C(sp(3))-H functionalization. In this review, we provide a detailed discussion of our most recent investigations pertaining to Pd(0)-catalyzed benzylic C(sp(3))-H functionalization.

  9. Localization of [3H]nicotine, [3H]cytisine, [3H]epibatidine, and [125I]alpha-bungarotoxin binding sites in the brain of Macaca mulatta.

    Science.gov (United States)

    Han, Zhi-Yan; Zoli, Michele; Cardona, Ana; Bourgeois, Jean-Pierre; Changeux, Jean-Pierre; Le Novère, Nicolas

    2003-06-16

    We determined the localization of [(3)H]nicotine, [(3)H]cytisine, [(3)H]epibatidine, and [(125)I]alpha-bungarotoxin binding sites in the brain of rhesus monkey by means of receptor autoradiography. The labelings by [(3)H]nicotine, [(3)H]cytisine, and [(3)H]epibatidine were highly concordant, except for epibatidine. Layer IV of some cortical areas, most thalamic nuclei, and presubiculum displayed high levels of labeling for the three ligands. Moderate levels of binding were detected in the subiculum, the septum, and the mesencephalon. Low levels were present in layers I-II and VI of the cortex, the cornu Ammonis, the dentate gyrus, and the amygdala. In addition, the level of epibatidine labeling was very high in the epithalamic nuclei and the interpeduncular nucleus, whereas labeling by nicotine and cytisine was very weak in the same regions. The distribution of [(125)I]alpha-bungarotoxin binding differed from the binding of the three agonists. The labeling was dense in layer I of most cortical areas, dentate gyrus, stratum lacunosum-moleculare of CA1 field, several thalamic nuclei, and medial habenula. A moderate labeling was found in layers V and VI of the prefrontal and frontal cortices, layer IV of primary visual cortex, amygdala, septum, hypothalamus, and some mesencenphalic nuclei. A weak signal was also detected in subiculum, claustrum, stratum oriens, and stratum lucidum of cornu Ammonis and also in some mesencephalic nuclei. The distribution of nicotine, cytisine, and epibatidine bindings corresponds broadly to the patterns observed in rodents, with the marked exception of the epithalamus. However, in monkey, those distributions match the distribution of alpha2 messenger RNA, rather than that of alpha4 transcripts as it exists in rodent brains. The distribution of the binding sites for alpha-bungarotoxin is larger in the brain of rhesus monkeys than in rodent brain, suggesting a more important role of alpha7 receptors in primates.

  10. 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.

  11. Lipase Catalyzed Enantioselective Transesterification of 5-Acyloxy-2(5H)-Furanones

    NARCIS (Netherlands)

    Deen, Hanneke van der; Hof, Robert P.; Oeveren, Arjan van; Kellogg, Richard M.; Feringa, Bernard

    1994-01-01

    Several lipases catalyse the transesterification of gamma-acyloxyfuranones in organic solvents with high enantioselectivities. This method has been used for the kinetic resolution of 5-acetoxy-2(5H)-furanone, 5-acetoxy-4-methyl-2(5H)-furanone and 5-propionyloxy-2(5H)-furanone, in e.e.'s ranging from

  12. File list: Oth.ALL.50.SUPT5H.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.ALL.50.SUPT5H.AllCell hg19 TFs and others SUPT5H All cell types SRX684292,SRX38...7508 http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/assembled/Oth.ALL.50.SUPT5H.AllCell.bed ...

  13. Spectroscopy Studying on Derivatives 2H-azepine [1,5] PrS- migration Reaction%2H-氮杂卓衍生物[1,5]迁移反应的光谱学特征

    Institute of Scientific and Technical Information of China (English)

    金月仙

    2009-01-01

    氮杂卓化合物存在1H-,2H-,3H-和4H-共4个互变异构体,其中,2H-,3H-系统是最重要的.2H-氮杂卓母体化合物很不稳定,4位存在叔-丁基,并且环上含有丙硫基(PrS-)取代基的2H-氮杂卓,不仅发生H迁移,也能发生PrS-迁移,向较稳定的3H-氮杂卓异构化.以2,7-二甲氧基-4-甲基-2H-氮杂卓为原料,通过与Pr-SH的取代反应,合成7-甲氧基-4-甲基-2-PrS-2H-氮杂卓,并讨论分析产物的[1,5]迁移反应.通过IR、1H NMR、13C NMR、MS检测表明,在室温条件下,4位存在甲基的2H-氮杂卓衍生物,选择性地发生[1,5]PrS-迁移,生成3H-氮杂卓,而且此异构化反应速度比叔-丁基存在时的情况更快.

  14. 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.

  15. 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).

  16. 1H-Imidazol-4(5H)-ones and thiazol-4(5H)-ones as emerging pronucleophiles in asymmetric catalysis

    Science.gov (United States)

    Mielgo, Antonia

    2016-01-01

    Summary Asymmetric catalysis represents a very powerful tool for the synthesis of enantiopure compounds. In this context the main focus has been directed not only to the search for new efficient chiral catalysts, but also to the development of efficient pronucleophiles. This review highlights the utility and first examples of 1H-imidazol-4(5H)-ones and thiazol-4(5H)-ones as pronucleophiles in catalytic asymmetric reactions. PMID:27340482

  17. 1H-Imidazol-4(5H)-ones and thiazol-4(5H)-ones as emerging pronucleophiles in asymmetric catalysis.

    Science.gov (United States)

    Mielgo, Antonia; Palomo, Claudio

    2016-01-01

    Asymmetric catalysis represents a very powerful tool for the synthesis of enantiopure compounds. In this context the main focus has been directed not only to the search for new efficient chiral catalysts, but also to the development of efficient pronucleophiles. This review highlights the utility and first examples of 1H-imidazol-4(5H)-ones and thiazol-4(5H)-ones as pronucleophiles in catalytic asymmetric reactions.

  18. Nqrs Data for C5H14I3NO11[C5H11NO2·3(HIO3)](Subst. No. 0793)

    Science.gov (United States)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C5H14I3NO11 [C5H11NO2·3(HIO3)] (Subst. No. 0793)

  19. A 6.3-h superhump in the cataclysmic variable TV Columbae the longest yet seen

    CERN Document Server

    Retter, A; Augusteijn, T; Naylor, T; Bedding, T R; Bembrick, C; McCormick, J; Velthuis, F

    2002-01-01

    We present results from a two week multi-longitude photometric campaign on TV Col held in 2001 January. The data confirm the presence of a permanent positive superhump found in re-examination of extensive archive photometric data of TV Col. The 6.3-h period is 15 per cent longer than the orbital period and obeys the well known relation between superhump period excess and binary period. At 5.5-h, TV Col has an orbital period longer than any known superhumping cataclysmic variable and, therefore, a mass ratio which might be outside the range at which superhumps can occur according to the current theory. We suggest several solutions for this problem.

  20. Search for anticonvulsant and analgesic active derivatives of dihydrofuran-2(3H)-one.

    Science.gov (United States)

    Więckowski, Krzysztof; Sałat, Kinga; Bytnar, Justyna; Bajda, Marek; Filipek, Barbara; Stables, James P; Malawska, Barbara

    2012-11-01

    A series of derivatives of dihydrofuran-2(3H)-one (γ-butyrolactone, GBL) was synthesized and tested for anticonvulsant, neurotoxic and analgesic activity. In the anticonvulsant screening 10 lactones were effective in the maximal electroshock test (MES) at the highest doses (300 and 100 mg/kg, 0.5 h, ip, mice). Statistical analysis showed correlation between the anticonvulsant activity and relative lipophilicity parameters determined by experimental and computational methods (R(M0), ClogP and MlogP). Preliminary antinociceptive evaluation of selected derivatives revealed strong analgesic activity. The majority of the tested compounds showed high efficacy in animal models of acute pain (hot plate and writhing tests) and strong local anesthetic activity (modified tail immersion test). The obtained ED(50) values were comparable with such analgesics as acetylsalicylic acid and morphine.

  1. 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

  2. Phylogenetic position and replication kinetics of Heliothis virescens ascovirus 3h (HvAV-3h isolated from Spodoptera exigua.

    Directory of Open Access Journals (Sweden)

    Guo-Hua Huang

    Full Text Available Insect-specific ascoviruses with a circular genome are distributed in the USA, France, Australia and Indonesia. Here, we report the first ascovirus isolation from Spodoptera exigua in Hunan, China. DNA-DNA hybridization to published ascoviruses demonstrated that the new China ascovirus isolate is a variant of Heliothis virescens ascovirus 3a (HvAV-3a, thus named HvAV-3h. We investigated the phylogenetic position, cell infection, vesicle production and viral DNA replication kinetics of HvAV-3h, as well as its host-ranges. The major capsid protein (MCP gene and the delta DNA polymerase (DNA po1 gene of HvAV-3h were sequenced and compared with the available ascovirus isolates for phylogenetic analysis. This shows a close relationship with HvAV-3g, originally isolated from Indonesia, HvAV-3e from Australia and HvAV-3c from United States. HvAV-3h infection induced vesicle production in the SeE1 cells derived from S. exigua and Sf9 cells derived from S. frugiperda, resulting in more vesicles generated in Sf9 than SeE1. Viral DNA replication kinetics of HvAV-3h also demonstrated a difference between the two cell lines tested. HvAV-3h could readily infect three important insect pests Helicoverpa armigera (Hübner, Spodoptera exigua (Hübner and Spodoptera litura (Fabricius from two genera in different subfamilies with high mortalities.

  3. Depolarization-induced release of [(3)H]D-aspartate from GABAergic neurons caused by reversal of glutamate transporters

    DEFF Research Database (Denmark)

    Jensen, J B; Pickering, D S; Schousboe, A

    2000-01-01

    by addition of cobalt. Since AMPA has a rapid desensitizing effect on AMPA receptors, it was examined whether AMPA under non-desensitizing conditions was able to induce an increased release of [(3)H]D-aspartate as compared to the conditions of applying AMPA alone. The desensitization of AMPA receptors...... was blocked by 6-chloro-3,4-dihydro-3-(2-norbornen-5-yl)-2H-1,2, 4-benzothiadiazine-7-sulphonamide-1,1-dioxide (cyclothiazide). Under the non-desensitizing conditions, the AMPA-induced release of [(3)H]D-aspartate was highly enhanced showing about a 10-fold increase over basal release. Addition of cobalt...... or lanthanum did not decrease the amount of [(3)H]D-aspartate released, indicating that the release originated from a cytoplasmic pool. Kainate, which induces an almost non-desensitizing effect on AMPA receptors, showed similar results as observed for AMPA under non-desensitizing conditions. The NMDA receptor...

  4. Studies on (/sup 3/H) hemicholinium-3 ((/sup 3/H)HC-3), (/sup 3/H) pirenzepine ((/sup 3/H)PZ) and (/sup 3/H)(-)quinuclidinyl benzilate ((/sup 3/H)(-)QNB) binding with choline and acetylcholine analogues (AF30, AF64, AF64A)

    Energy Technology Data Exchange (ETDEWEB)

    Gulva, K.; Fisher, A.; Hanin, I.; Yamamura, H.I.

    1986-03-05

    Choline deficiency in brain function has been implicated in several neurological disorders. Therefore, the usefulness of choline and its analogues as therapeutic agents or potential tools in developing selective models of central cholinergic hypofunction has been under investigation. The inhibitory potencies of ethylcholine mustard (AF64) and ethylcholine mustard aziridium (AF64A) were tested in inhibiting specific (/sup 3/H)HC-3 (rat striatal membranes), (/sup 3/H)PZ and (/sup 3/H)(-)QNB (cortical and heart membranes). AF64 and AF64A inhibited the binding of (/sup 3/H)HC-3 with low affinity. Results for one-site fit are: AF64: IC/sub 50/ = 107 ..mu..M, n/sub H/ = 0.62; AF64A: IC/sub 50/ = 130 ..mu..M, n/sub H/ = 0.56. Two site-fit resulted IC/sub 50/ values of 11-12 ..mu..M for high affinity and 360-730 ..mu..M for low affinity (relative proportions: 45% and 55%, respectively) in both cases. AF30 (a rigid choline analogue with agonist activity), AF64 and AF64A were weak inhibitors of muscarinic receptor bindings with IC/sub 50/ values in the micromolar range in both cortical and heart membranes, although AF64A showed ten-fold higher affinity in inhibiting (/sup 3/H)PZ binding than (/sup 3/H)(-)QNB binding in cortical membranes.

  5. Volumetric Properties of the Mixture Iodoethane C2H5I + C3H7Br 1-Bromopropane (LB0775, VMSD1212)

    Science.gov (United States)

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

    This document is part of Subvolume A `Binary Liquid Systems of Nonelectrolytes' of Volume 23 `Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV `Physical Chemistry'. It corresponds to the data set LB0775 of the ELBT database.

  6. Volumetric Properties of the Mixture Iodoethane C2H5I + C3H7Br 1-Bromopropane (LB0772, VMSD1111)

    Science.gov (United States)

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

    This document is part of Subvolume A `Binary Liquid Systems of Nonelectrolytes' of Volume 23 `Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV `Physical Chemistry'. It corresponds to the data set LB0772 of the ELBT database.

  7. Evaporation and concentration gradients created by episodic river recharge in a semi-arid zone aquifer: Insights from Cl-, δ18O, δ2H, and 3H

    Science.gov (United States)

    Meredith, K. T.; Hollins, S. E.; Hughes, C. E.; Cendón, D. I.; Chisari, R.; Griffiths, A.; Crawford, J.

    2015-10-01

    This study has significantly advanced our understanding of the origin of groundwater recharge in a semi-arid zone region of the Darling River catchment, Australia. The generally accepted hypothesis in arid zone environments in Australia that river water forms the primary groundwater recharge source has proven difficult to monitor. This is due to the time lags between large floods, the remoteness and expense of studying these hydrologically complex systems in detail. In addition, the highly episodic nature of dryland rivers complicates the interpretation of the groundwater signal. A range of hydrochemical tracers (chloride, oxygen-18, deuterium and tritium) measured in rain, river water, soil water and groundwater were used in this multi-year study to trace the pathways of groundwater recharge under wet and dry climatic conditions. The evaporation and Cl concentrations observed in the unsaturated zone confirmed that small volumetric inputs from periodic rainfall were not the major recharge mechanism. Sampling which included an overbank flooding event in March 2012 provided firm evidence for groundwater originating from high flow episodic river recharge. The use of long-term environmental data to understand how economically important water resources respond to climate change with increasing temperatures is considered essential for future sustainability.

  8. EPR and optical investigation of VO(II) in Zn(C3H3O4)2(H2O)2 single crystals: An interstitial site

    Science.gov (United States)

    Natarajan, B.; Mithira, S.; Deepa, S.; Sambasivarao, P.

    2007-10-01

    EPR spectroscopic investigations on single crystals of diaquabis[malonato(1-)-κ2O,O‧] zinc(II) doped with VO(II) ion have been carried out at X-band frequencies and at 300 K. The single crystal, rotated along the three mutually orthogonally axes, has yielded spin-Hamiltonian parameters g and A as: gxx=1.980, gyy=1.972, gzz=1.937 and Axx=8.4, Ayy=6.1, Azz=18.1 mT, respectively. These spin-Hamiltonian parameters reflect a slight deviation from axial symmetry to rhombic, which is elucidated by the interstitial occupation of vanadyl ions. The isofrequency plots and powder EPR spectrum have been simulated. The percentage of metal-oxygen bond has been estimated. The optical absorption spectrum exhibits four bands at 257, 592, 720 and 764 nm suggesting a C4v symmetry. The admixture coefficients and bonding parameters have also been calculated by collaborating EPR data with optical data.

  9. 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

    An ab initio study of gaseous clusters of O2− and O2− with water is presented. Based on thorough scans of configurational space, we determine the thermodynamics of cluster growth. The results are in good agreement with benchmark computational methods and existing experimental data. We find...

  10. 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.

  11. 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.

  12. 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

  13. Aberrant 3H in Ehrlich mouse ascites tumor cell nucleotides after in vivo labeling with myo-[2-3H]- and L -myo-[1-3H]inositol: implications for measuring inositol phosphate signaling

    DEFF Research Database (Denmark)

    Christensen, Søren C.; Jensen, Annelie Kolbjørn; Simonsen, L.O.

    2003-01-01

    : the oxidative conversion to -glucuronate. In contrast, with the 3H at C2 of myo-inositol, the 3H-C2 passes into the pentose phosphate conversions with resulting labeling of nucleotides. The extent of catabolism to 3H-labeled water, the cellular accumulation of 3H-myo-inositol, the incorporation into cellular...

  14. Synthesis of [4,6-{sup 3}H]-2-pyridone and [{sup 3}H]-RS-91309

    Energy Technology Data Exchange (ETDEWEB)

    Keczer, S. de; Parnes, Howard [Syntex Discovery Research, Palo Alto, CA (United States)

    1995-12-31

    We describe herein, a novel synthesis of the previously unreported compound, 4,6-dibromo-2-pyridone (3) and its use in the preparation of [{sup 3}H]-RS-91309, a potassium channel modulator. This key intermediate, (3), was reduced with carrier free tritium gas to furnish [4,6-{sup 3}H]-2-pyridone (9) having a specific activity of 50 Ci/mmole. Condensation of (9) with epoxide (10), followed by elaboration of the resulting chromene methyl group of (12) gave [{sup 3}H]-RS-91309 (14) whose specific activity was also 50 Ci/mmole. This chemistry, as well as the solution of several micro-scale related stoichiometry problems is discussed. (Author).

  15. 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.

  16. Modelling two-phase transport of 3H/3He

    NARCIS (Netherlands)

    Visser, A.; Schaap, J.D.; Leijnse, T.; Broers, H.P.; Bierkens, M.F.P.

    2008-01-01

    Degassing of groundwater by excess denitrification of agricultural pollution complicates the interpretation of 3H/3He data and hinders the estimation of travel times in nitrate pollution studies. In this study we used a two-phase flow and transport model (STOMP) to evaluate the method presented by

  17. Modelling two-phase transport of 3H/3He

    NARCIS (Netherlands)

    Visser, A.; Schaap, J.D.; Leijnse, T.; Broers, H.P.; Bierkens, M.F.P.

    2008-01-01

    Degassing of groundwater by excess denitrification of agricultural pollution complicates the interpretation of 3H/3He data and hinders the estimation of travel times in nitrate pollution studies. In this study we used a two-phase flow and transport model (STOMP) to evaluate the method presented by V

  18. Synthesis of [12-{sup 3}H]-(+-)-Calanolide A

    Energy Technology Data Exchange (ETDEWEB)

    Rehder, K.S.; Hristova-Kazmierski, M.K.; Kepler, J.A. [Research Triangle Inst., Research Triangle Park, NC (United States). Organic and Medicinal Chemistry

    1996-12-01

    [12-{sup 3}H]-({+-})-Calanolide A (9) was synthesized in five steps from readily available phloroglucinol. Stereoselective Luche reduction of trans-ketone with cerium(III) chloride and sodium borotritide in methanol gave 338 {mu}Ci of 9 with a specific activity of 63.0 mCi/mmol. (author).

  19. Dating degassed groundwater with 3H/3He

    NARCIS (Netherlands)

    Visser, A.; Broers, H.P.; Bierkens, M.F.P.

    2007-01-01

    The production of gases in groundwater under contaminated locations by geochemical and biological processes is not uncommon. Degassing of these gases from groundwater and repartitioning of noble gases between water and gas phase distorts groundwater dating by 3H/3He. We observed noble gas concentrat

  20. Dating degassed groundwater with 3H/3He

    NARCIS (Netherlands)

    Visser, A.; Broers, H.P.; Bierkens, M.F.P.

    2007-01-01

    The production of gases in groundwater under contaminated locations by geochemical and biological processes is not uncommon. Degassing of these gases from groundwater and repartitioning of noble gases between water and gas phase distorts groundwater dating by 3H/3He. We observed noble gas

  1. ASYMMETRIC DIELS-ALDER REACTIONS WITH 5-MENTHYLOXY-2(5H)-FURANONE

    NARCIS (Netherlands)

    Jong, Johannes C. de; Bolhuis, Fré van; Feringa, Bernard

    1991-01-01

    A new class of chiral dienophiles, 5-alkoxy-2(5H)-furanones, has been developed. Both enantiomers of 5-menthyloxy-2(5H)-furanone are readily available in enantiomerically pure form, starting from furfural and d- or l-menthol. Excellent diastereoselectivities (d.e. greater-than-or-equal-to 99%) are o

  2. Data of evolutionary structure change: 2UX5H-4RCRH [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available in>2UX5H LAGLI-YYLQT >HHHHH-HHHHH...QTE >HHHH > ATOM 4587 CA LEU H 2...GP-FPLPK > - > ATOM 4801 CA ALA ...ain> 2UX5H AANQGPFPLPK > ...ture> ATOM 112 CA LEU H 24 26.057 95.223 14.854 1.00 38.64

  3. A series of coordination polymers constructed from R-isophthalic acid (R=-SO3H, -NO2, and -OH) and N-donor ligands: Syntheses, structures and fluorescence properties

    Science.gov (United States)

    Zhou, Yong-Hong; Zhou, Xu-Wan; Zhou, Su-Rong; Tian, Yu-Peng; Wu, Jie-Ying

    2017-01-01

    Six novel Zn(II), Cd(II), and Cu(II) mixed-ligand coordination complexes, namely, [Zn2Na(sip)2(bpp)3(Hbpp)(H2O)2]·8H2O (1), [Cd3(sip)2(nbi)6(H2O)2]·7H2O (2), [Zn(sip)(nbi)2(H2O)]·Hnbi·3H2O (3), [Cd(hip)(nbi)2(H2O)]·nbi·5H2O (4), [Cd2(nip)2(nbi)2(H2O)2]·DMF (5), and [Cu(nip)(nbi)(H2O)2]·H2O (6) (H3sip=5-sulfoisophthalic acid, H2hip=5-hydroxylisophthalic acid, H2nip=5-nitroisophthalic acid, bpp=1,3-bis(4-pyridyl)propane, and nbi=6-nitrobenzimidazole) have been synthesized hydrothermally by the self-assembly of R-isophthalic acid (R=-SO3H, -NO2, and -OH) and N-donor ligands. Single crystal X-ray analyses reveal that two Zn(II) ions and one Na(I) ion of complex 1 are linked through O atoms to generate a 1D linear chain. Then the 2D supramolecular architectures are constructed via intermolecular interactions. In complex 2, the Cd1 ions are connected by bridging carboxyl groups from sip3- anions to form 1D double chain, which are further connected by Cd2 ions to afford 2D layer structure. The adjacent 2D layers are further linked via hydrogen-bonding interactions to give 3D supramolecular network. Compounds 3-5 show 1D chain structures, which are assembled into 2D or 3D supramolecular frameworks via weak interactions. In compound 6, the Cu(II) ions are bridged by the nip2- ligands to form 48-membered ring, which is assembled into 1Dchain via the π-π stacking interaction. In addition, the thermal stabilities and fluorescence properties of these compounds have also been studied.

  4. Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2.

    Science.gov (United States)

    Chen, Shoudeng; Rufiange, Anne; Huang, Hongda; Rajashankar, Kanagalaghatta R; Nourani, Amine; Patel, Dinshaw J

    2015-06-15

    Cells use specific mechanisms such as histone chaperones to abrogate the inherent barrier that the nucleosome poses to transcribing polymerases. The current model postulates that nucleosomes can be transiently disrupted to accommodate passage of RNA polymerases and that histones H3 and H4 possess their own chaperones dedicated to the recovery of nucleosomes. Here, we determined the crystal structure of the conserved C terminus of human Suppressors of Ty insertions 2 (hSpt2C) chaperone bound to an H3/H4 tetramer. The structural studies demonstrate that hSpt2C is bound to the periphery of the H3/H4 tetramer, mimicking the trajectory of nucleosomal-bound DNA. These structural studies have been complemented with in vitro binding and in vivo functional studies on mutants that disrupt key intermolecular contacts involving two acidic patches and hydrophobic residues on Spt2C. We show that contacts between both human and yeast Spt2C with the H3/H4 tetramer are required for the suppression of H3/H4 exchange as measured by H3K56ac and new H3 deposition. These interactions are also crucial for the inhibition of spurious transcription from within coding regions. Together, our data indicate that Spt2 interacts with the periphery of the H3/H4 tetramer and promotes its recycling in the wake of RNA polymerase. © 2015 Chen et al.; Published by Cold Spring Harbor Laboratory Press.

  5. Kinetic calculation for the reaction of H with Si2H6 using the variational transition state theory

    Institute of Scientific and Technical Information of China (English)

    ZHANG; Qingzhu

    2001-01-01

    [1]Gates, S. M., Kuna, R. R., Greenlief, C. M., Silicon hydride etch products from the reaction of atomic hydrogen with Si(100), Surf. Sci., 1989, 207: 364.[2]Abrefah, J., Olander, D. R., Reaction of atomic hydrogen with crystalline silicon, Surf. Sci., 1989, 209: 291.[3]Kerwin, D. D., Douglas, J. D., Mechanistic insight into gas-phase of H+Si2H6 and hydrogen atom etching of silicon surface, J. Am. Chem. Soc., 1993, 115: 3731.[4]Pollock, T. L., Sandhu, H. S., Jodhan, A. et al., Photochemistry of silicon compounds, IV. Mercury photosensitization of disilane, J. Am. Chem. Soc., 1973, 95: 1017.[5]Austin, E. R., Lampe, F W., Rate constants for the reactions of hydrogen atoms with some silicanes and germanes, J. Phys. Chem., 1977, 81(12): 1134.[6]Fabry, L., Potzinger, P, Reimann, B. et al., Gas-phase homolytic substitution reactions of hydrogen atoms at silicon centers. Organometallics. 1986, 5: 1231.[7]Oberhammer, H., Lobreyer, T., Sundermeyer, W., The Ge-Si bond in silylgermane discrepancy between experiment and theory, J. Mol. Struct., 1994, 323: 125.[8]Durig. J. R., Church, J. S., Vibrational spectra of crystalline disilane and disilane, barrier to internal rotation and some normal coordinate calculations on H3SiSiH3, H3SiNCO, H3SiNCS, J. Chem. Phys., 1980, 73: 4784.[9]Espinosa-Garcia, J., Sanson, J., Corchado, J. C., The SiH4+H→SiH3+H2 reaction: potential energy surface, rate constants, and kinetic isotope effects, J. Chem. Phys., 1998, 109(2): 466.[10]Charles, B. M., Siddharth, D., William, A. G., Hessian biased force field for polysilane polymers, J. Phys. Chem,, 1995, 99:13321.[11]Wu, Y. D., Wong, C. L., Substituion effect on the dissociation energy of the Si-H bond: a density functional study, J. Org. Chem., 1995, 60: 821.[12]Taylor. C. A.. Marshall, P., A discharge-fluoro/chemiluminescence study of the reaction O+SiH at room temperature, Chem. Phys. Lett., 1993, 205(6): 493.[13]Doncaster, A. M., Walsh, R

  6. 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.

  7. Long chain fatty acid uptake in vivo: comparison of [125I]-BMIPP and [3H]-bromopalmitate.

    Science.gov (United States)

    Shearer, Jane; Coenen, Kimberly R; Pencek, R Richard; Swift, Larry L; Wasserman, David H; Rottman, Jeffrey N

    2008-08-01

    Insulin resistance is characterized by increased metabolic uptake of fatty acids. Accordingly, techniques to examine in vivo shifts in fatty acid metabolism are of value in both clinical and experimental settings. Partially metabolizable long chain fatty acid (LCFA) tracers have been recently developed and employed for this purpose: [9,10-3H]-(R)-2-bromopalmitate ([3H]-BROMO) and [125I]-15-(rho-iodophenyl)-3-R,S-methylpentadecanoic acid ([125I]-BMIPP). These analogues are taken up like native fatty acids, but once inside the cell do not directly enter beta-oxidation. Rather, they become trapped in the slower processes of omega and alpha-oxidation. Study aims were to (1) simultaneously assess and compare [3H]-BROMO and [125I]-BMIPP and (2) determine if tracer breakdown is affected by elevated metabolic demands. Catheters were implanted in a carotid artery and jugular vein of Sprague-Dawley rats. Following 5 days recovery, fasted animals (5 h) underwent a rest (n = 8) or exercise (n = 8) (0.6 mi/h) protocol. An instantaneous bolus containing both [3H]-BROMO and [125I]-BMIPP was administered to determine LCFA uptake. No significant difference between [125I]-BMIPP and [3H]-BROMO uptake was found in cardiac or skeletal muscle during rest or exercise. In liver, rates of uptake were more than doubled with [3H]-BROMO compared to [125I]-BMIPP. Analysis of tracer conversion by TLC demonstrated no difference at rest. Exercise resulted in greater metabolism and excretion of tracers with approximately 37% and approximately 53% of [125I]-BMIPP and [3H]-BROMO present in conversion products at 40 min. In conclusion, [3H]-BROMO and [125I]-BMIPP are indistinguishable for the determination of tissue kinetics at rest in skeletal and cardiac muscle. Exercise preferentially exacerbates the breakdown of [3H]-BROMO, making [125I]-BMIPP the analogue of choice for prolonged (>30 min) experimental protocols with elevated metabolic demands.

  8. Theoretical approach of the catalytic hydrochlorination of the 3-amino-2H-1,2,4-triazole

    Directory of Open Access Journals (Sweden)

    Jean Baptiste Mensah

    2009-08-01

    Full Text Available This study was aimed to determine the sites of protonation of the molecule during the hydrochlorination of 3-amino-2H-1,2,4-triazole. The catalytic reaction was carried out on the site MoS3H3+ and on the site ZnCl2. On both catalysts, the reaction led to a selective protonation of the molecule on the same atom of nitrogen of the cycle. But the reaction is endothermic and exothermic on the MoS3H3+ and ZnCl2 catalytic sites, respectively. The calculation method used is Hartree-Fock (HF in the lanl2dz basis set.

  9. Structure of LaH(PO sub 3 H) sub 2. 3H sub 2 O. Structure de LaH(PO sub 3 H) sub 2. 3H sub 2 O

    Energy Technology Data Exchange (ETDEWEB)

    Loukili, M. (Ecole Superieure de Technologie, Fes (Morocco). Dept. Genie Chimique); Durand, J.; Larbot, A.; Cot, L. (Ecole Nationale Superieure de Chimie de Montpellier, 34 (France). Lab. de Physicochimie des Materiaux); Rafiq, M. (Faculte des Sciences, Fes (Morocco). Lab. de Chimie Minerale Appliquee)

    1991-03-15

    Lanthanum hydrogen bis(hydrogenphosphite) trihydrate, LaH(Po{sub 3}H){sub 2}.3H{sub 2}O, M{sub r}=353.8, monoclinic, P2{sub 1}/c, a=9.687 (3), b=7.138 (2), c=13.518 A, {beta}=104.48 (3) deg, V=905.0 (5) A{sup 3}, Z=4, D{sub m}=2.56 (2), D{sub x}=2.598 Mg m{sup -3}, {lambda}(MoK{alpha})=0.71073 A, {mu}(MoK{alpha})=5.103 mm{sup -1}, F(000)=672, T=300 K, R=0.032 for 1018 independent observed reflections. The structure contains two phosphite anions connected by a hydrogen bond. The La{sup 3+} cation is eight coordinated by seven O atoms from phosphite anions and one O atom of a water molecule. (orig.).

  10. 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.

  11. Silver-Catalyzed C(sp(3))-H Chlorination.

    Science.gov (United States)

    Ozawa, Jun; Kanai, Motomu

    2017-03-17

    A silver-catalyzed chlorination of benzylic, tertiary, and secondary C(sp(3))-H bonds was developed. The reaction proceeded with as low as 0.2 mol % catalyst loading at room temperature under air atmosphere with synthetically useful functional group compatibility. The regioselectivity and reactivity tendencies suggest that the chlorination proceeded through a radical pathway, but an intermediate alkylsilver species cannot be ruled out.

  12. 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.

  13. Synthesis of 2-Alkenyl-2H-indazoles from 2-(2-Carbonylmethyl)-2H-indazoles.

    Science.gov (United States)

    Lin, Mei-Huey; Liang, Kung-Yu; Tsai, Chang-Hsien; Chen, Yu-Chun; Hsiao, Hung-Chang; Li, Yi-Syuan; Chen, Chung-Hao; Wu, Hau-Chun

    2016-02-19

    A procedure has been developed for synthesis of 2-alkenyl-2H-indazoles starting from 2-(2-carbonylmethyl)-2H-indazoles, which are prepared by gallium/aluminium- and aluminium-mediated, direct, regioselective alkylation of indazoles with α-bromocarbonyl compounds. The structure of 3-(2H-indazol-2-yl)-2H-chromen-2-one was proven by X-ray crystallography. The styrene- and coumarin-2H-indazoles produced by using the new method were found to have interesting fluorescence properties.

  14. Research on Flame Retardance of 10,10'-(5H,5'H)-SPI-Robiphenophosphazinium Chloride in ABS%10,10'-(5H,5'H)-双螺磷杂吖嗪氯化物在ABS中的阻燃性能研究

    Institute of Scientific and Technical Information of China (English)

    崔金海; 师兆忠; 姬学亮

    2008-01-01

    介绍了10,10'-(5H,5'H)-双螺磷杂吖嗪氯化物作为阻燃剂的理论依据、制备方法,采用均匀试验设计方法探讨了10,10'-(5H,5'H)-双螺磷杂吖嗪氯化物在丙烯腈-丁二烯一苯乙烯共聚物(AUS)中作为阻燃剂的阻燃特性,用SPSS统计软件对其力学性能影响因素和氧指数进行了回归分析.结果表明,当ABS/10,10'-(5H,5'H)-双螺磷杂吖嗪氯化物/氢氧化铝质量比为100/22/18时,复合材料的拉伸强度为32.80 Mpa,冲击强度为24.7 kJ/m2,缺口冲击强度为9.02 kJ/m2,氧指数为26.1%;水平燃烧等级达到I级;垂直燃烧等级达到FV-0级.实验表明10,10'-(5H,5'H)-双螺磷杂吖嗪氯化物具有理想的阻燃特性,综合性能较好.

  15. System CaO-P/sub 2/O/sub 5/-H/sub 2/O at 200/sup 0/C

    Energy Technology Data Exchange (ETDEWEB)

    Feng, S.S.; Rockett, T.J.

    1979-11-01

    The phase diagram was established for the ternary system CaO-P/sub 2/O/sub 5/-H/sub 2/O at 200/sup 0/C and 1700 kPa. The solubility isotherm was determined by direct observation. Solid phases were analyzed by x-ray powder diffraction techniques and microscopy. Four solid phases were observed in equilibrium with liquid phases: portlandite, Ca(OH)/sub 2/, hydroxylapatite, Ca/sub 5/(PO/sub 4/)/sub 3/OH, monetite, CaHPO/sub 4/, and monocalcium orthophosphate monohydrate (MCPM), Ca(H/sub 2/PO/sub 4/)/sub 2/.H/sub 2/O.

  16. Synthesis and Structure of a Novel Compound [Cu2(EDTA)(Py)2(H2O)2]·2H2O

    Institute of Scientific and Technical Information of China (English)

    TANG Ding-Xing; ZHAO Yun

    2005-01-01

    A novel compound [Cu2(EDTA)(Py)2(H2O)2]·2H2O was synthesized by the reaction of CuSO4(5H2O with H4EDTA in pyridine/water (V/V = 1/4) solvent, and characterized by elemental analysis, IR spectrum and X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group P21/n with a = 1.26974(6), b = 0.67949(3), c = 1.48548(3) nm, β = 91.454(2)o, V = 1.28122(9) nm3, Z = 2, Dc = 1.673 g/cm3, Mr = 645.56, F(000) = 664, μ(MoKα) = 1.729 mm-1, the final R = 0.0353 and wR = 0.0832 for 1920 observed reflections (I > 2((I)). The compound is a centrosymmetric binuclear molecule with bridged EDTA group. Each Cu(II) atom is linked to two oxygen atoms and one nitrogen atom of EDTA, one oxygen atom of water and one nitrogen atom of pyridine to form a distorted square pyramidal environment. There exist face-to-face π-π stacking interactions between pyridine rings from neighboring molecule with the interplanar distance of 0.3670 nm and hydrogen bonding between EDTA and water molecules.

  17. 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.

  18. 3000m3/h cutter-suction dredge

    Institute of Scientific and Technical Information of China (English)

    2004-01-01

    @@ In October 2004, the Fumin 9 3000 m3/h cutter-suction dredge co-designed by the Dutch IHC and Guangzhou Wenchong Shipyard went through a dock usability test and a 25 meter clean water test. The dredge is the largest of its kind in China, and the most advanced and most efficient cutter-suction dredge in the world. The IHC was responsible for the design of the ship till its working design was taken over by Guangzhou Wenchong Shipyard, the builder of the dredge, who had started its construction on October 23, 2003.

  19. 1,3-Benzothiazole-2(3H)-selone

    OpenAIRE

    Gunay Z. Mammadova; Matsulevich, Zhanna V.; Osmanov, Vladimir K.; Borisov, Alexander V.; Khrustalev, Victor N.

    2011-01-01

    The title compound, C7H5NSSe, is the product of the reaction of 2-chlorobenzothiazole with sodium hydroselenide. The molecule is almost planar (r.m.s. deviation = 0.018 Å) owing to the presence of the long chain of conjugated bonds (Se=C—N—C=C—C=C—C=C). The geometrical parameters correspond well to those of the analog N-methylbenzothiazole-2(3H)-selone, demonstrating that the S atom does not take a significant role in the electron del...

  20. 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.

  1. 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).

  2. Tissue distribution of 3H-terbutaline in rabbits.

    Science.gov (United States)

    Hsu, C H; Robinson, C P; Basmadjian, G P

    1994-01-01

    Terbutaline is a widely used, selective beta 2-adrenergic agonist whose penetration into brain has not been demonstrated in laboratory animals. Although its tissue uptake has been reported in some animals, no uptake into brain has been demonstrated. A single dose of 20 microCi of 3H-terbutaline along with 10 mg/kg of unlabeled terbutaline was injected into a rabbit marginal ear vein. The distribution of 3H-terbutaline in several tissues was determined 0.5, 1, 3, or 6 hr later. Radioactivity in the brain was well-maintained over the 6 hr observation period. In most tissues, radioactivity peaked in less than 1 hr, then declined. Radioactivity in the urine was high at all time periods and was highest at 3 hr. Thus, terbutaline or a metabolite(s) does cross the blood-brain barrier in rabbits, and the radioactivity in the rabbit brain does not decrease during the 6 hours following terbutaline injection.

  3. 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.

  4. 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.

  5. Toxicokinetics of ( sup 3 H)microcystin-LR in mice

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, N.A.; Matson, C.F.; Miura, G.A.; Lynch, T.G.; Pace, J.G. (Army Medical Research Inst., Frederick, MD (United States))

    1990-02-26

    Toxicokinetics of ({sup 3}H)microcystin-LR, an algal hepatotoxin, was measured in CD-1 mice (iv, 35 {mu}g/kg, sublethal). The distribution and biological half-lives in plasma were 0.8 and 7 minutes, respectively. Liver rapidly accumulated toxin; uptake half-life was 7 minutes. After 60 minutes, liver, kidney, intestine and carcass retained 67{+-}4, 0.8{+-}0.1, 8.6{+-}0.7 and 6{+-}2% of dose, respectively. By 8 days, 18{+-}1 and 7.6{+-}0.6% of the administered radiolabel appeared in feces and urine, while liver and carcass retained 50{+-}2 and 8{+-}3%, respectively. In urine (6 and 12 hours) and feces (6, 12 and 24 hours) {approximately}60% of the tritium was associated with the parent compound. Hepatic radiolabel was tightly bound to cytosolic protein(s). One hour after injection, 27{+-}3% of the hepatic radiolabel was parent compound and 73{+-}3% was a more-polar component (peak 1). By 8 days, there was a redistribution of hepatic radioactivity: 69{+-}2% with a parent and 4{+-}0.5% with peak 1. The authors conclude that ({sup 3}H)MCYST rapidly accumulated in liver, was metabolized and was associated with cytosolic protein.

  6. 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.

  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...

  8. Distribution of 3H within purine nucleotides of Ehrlich mouse ascites tumour cells after intraabdominal injection of myo-[2-3H]inositol

    DEFF Research Database (Denmark)

    Christensen, Søren; Klenow, H.; Overgaard-Hansen, Kay

    2000-01-01

    In Ehrlich mouse ascites tumour cells, exposed intra-abdominally to [2-3H]inositol, ATP and GTP presented enough aberrant 3H-label to cause potential interference in the chromatographic analysis of inositol phosphates involved in signal transduction. After acid extraction and charcoal adsorption......% was in ribose and 11% in guanine. This aberrant 3H labelling could be avoided using [1-3H]inositol. Copyright © 2000 John Wiley & Sons, Ltd....

  9. Robertsite, Ca2MnIII3O2(PO43·3H2O

    Directory of Open Access Journals (Sweden)

    Marcelo B. Andrade

    2012-10-01

    Full Text Available Robertsite, ideally Ca2Mn3O2(PO43·3H2O [calcium manganese(III tris(orthophosphate trihydrate], can be associated with the arseniosiderite structural group characterized by the general formula Ca2A3O2(TO43·nH2O, with A = Fe, Mn; T = As, P; and n = 2 or 3. In this study, single-crystal X-ray diffraction data were used to determine the robertsite structure from a twinned crystal from the type locality, the Tip Top mine, Custer County, South Dakota, USA, and to refine anisotropic displacement parameters for all atoms. The general structural feature of robertsite resembles that of the other two members of the arseniosiderite group, the structures of which have previously been reported. It is characterized by sheets of [MnO6] octahedra in the form of nine-membered pseudo-trigonal rings. Located at the center of each nine-membered ring is a PO4 tetrahedron, and the other eight PO4 tetrahedra sandwich the Mn–oxide sheets. The six different Ca2+ ions are seven-coordinated in form of distorted pentagonal bipyramids, [CaO5(H2O2], if Ca—O distances less than 2.85 Å are considered. Along with hydrogen bonding involving the water molecules, they hold the manganese–phosphate sheets together. All nine [MnO6] octahedra are distorted by the Jahn–Teller effect.

  10. 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.

  11. Autoradiographie studies of /sup 3/H zearalenone in mice

    Energy Technology Data Exchange (ETDEWEB)

    Appelgren, L.E.; Larsson, P. (Swedish Univ. of Agricultural Sciences, Uppsala. Dept. of Pharmacology); Arora, R.G. (Swedish Univ. of Agriculture, Uppsala. Dept. of Pathology)

    1982-01-01

    Whole body autoradiograms of male, spayed and pregnant female mice after injection of (/sup 3/H) zearalenone showed a rapid excretion of radioactivity into the bile as well as the urine. Specific localization was found in oestrogen target organs as the uterus, interstitial cells of the testicle and the follicles of the ovary. Unlike natural oestrogens zearalenone and/or its metabolites were not found in the adrenal cortex and bronchi of the lungs. Detection of radioactivity in an increased amount of fluid in the pleural and peritoneal cavities suggests an additional site of action of zearalenone. In the pregnant mice used, radioactivity was found only in the foetuses of late pregnancy mainly in the kidney, bile and connective tissue.

  12. Novel Heptamethine 3H-Indocyanines and their Spectral Properties

    Institute of Scientific and Technical Information of China (English)

    Li Qiu WANG; Xiao Jun PENG; Er Hu LU; Jing Nan CUI; Xin Qin GAO

    2005-01-01

    Novel heptamethine 3H-indocyanine dyes are synthesized and embedded into a matrix of silica gel derived from tetraethoxysilicane. The photophysical properties of these near infrared dyes in various solvents and in SiO2 sol gel were investigated. The results show that the dyes containing cyclohexenylene bridge and N-(p-carboxy)benzyl groups have better photostability and longer absorption wavelength than those containing linear heptamethine bridge and/or N-(5-carboxy)pentanyl groups. The absorption maxima of these dyes are in reverse proportion to the polarity of the solvents. The microenvironment of the dyes in SiO2 sol-gel characters medium polarity (between methanol and DMF) according to the absorption maxima.

  13. Comparison of (/sup 3/H)pirenzepine and (/sup 3/H)quinuclidinylbenzilate binding to muscarinic cholinergic receptors in rat brain

    Energy Technology Data Exchange (ETDEWEB)

    Luthin, G.R.; Wolfe, B.B.

    1984-03-01

    The properties of (/sup 3/H)quinuclidinylbenzilate ( (/sup 3/H)QNB) binding and (/sup 3/H)pirenzepine ( (/sup 3/H)PZ) binding to various regions of rat brain were compared. (/sup 3/H)PZ appeared to bind with high affinity to a single site, with a Kd value of approximately 15 nM in the cerebral cortex. The rank order of potencies of muscarinic drugs to inhibit binding of either (/sup 3/H)QNB or (/sup 3/H)PZ was QNB greater than atropine . scopolamine greater than pirenzepine greater than oxotremorine greater than bethanechol. Muscarinic antagonists (except PZ) inhibited both (/sup 3/H)PZ and (/sup 3/H)QNB binding with Hill coefficients of approximately 1. PZ inhibited (/sup 3/H)QNB binding in cortex with a Hill coefficient of 0.7, but inhibited (/sup 3/H)PZ binding with a Hill coefficient of 1.0. Hill coefficients for agonists were less than 1. The density of (/sup 3/H)PZ binding sites was approximately half the density of (/sup 3/H)QNB binding sites in cortex, striatum and hippocampus. In pons-medulla and cerebellum, the densities of (/sup 3/H)PZ binding sites were 20 and 0%, respectively, relative to the densities of (/sup 3/H)QNB binding sites. When unlabeled PZ was used to compete for (/sup 3/H)QNB binding, the relative number of high-affinity PZ binding sites in cortex, pons and cerebellum agreed with the relative number of (/sup 3/H)PZ binding sites in those regions. The binding of (/sup 3/H)PZ and (/sup 3/H)QNB was nonadditive in cortex. GTP inhibited high-affinity oxotremorine binding, but not PZ binding. Together, these data suggest that (/sup 3/H)PZ binds to a subset of (/sup 3/H)QNB binding sites. Whether this subset reflects the existence of subtypes of muscarinic receptors or is a consequence of coupling to another membrane protein remains to be seen.

  14. 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.

  15. Virus-like particles displaying H5, H7, H9 hemagglutinins and N1 neuraminidase elicit protective immunity to heterologous avian influenza viruses in chickens.

    Science.gov (United States)

    Pushko, Peter; Tretyakova, Irina; Hidajat, Rachmat; Zsak, Aniko; Chrzastek, Klaudia; Tumpey, Terrence M; Kapczynski, Darrell R

    2017-01-15

    Avian influenza (AI) viruses circulating in wild birds pose a serious threat to public health. Human and veterinary vaccines against AI subtypes are needed. Here we prepared triple-subtype VLPs that co-localized H5, H7 and H9 antigens derived from H5N1, H7N3 and H9N2 viruses. VLPs also contained influenza N1 neuraminidase and retroviral gag protein. The H5/H7/H9/N1/gag VLPs were prepared using baculovirus expression. Biochemical, functional and antigenic characteristics were determined including hemagglutination and neuraminidase enzyme activities. VLPs were further evaluated in a chicken AI challenge model for safety, immunogenicity and protective efficacy against heterologous AI viruses including H5N2, H7N3 and H9N2 subtypes. All vaccinated birds survived challenges with H5N2 and H7N3 highly pathogenic AI (HPAI) viruses, while all controls died. Immune response was also detectable after challenge with low pathogenicity AI (LPAI) H9N2 virus suggesting that H5/H7/H9/N1/gag VLPs represent a promising approach for the development of broadly protective AI vaccine. Copyright © 2016. Published by Elsevier Inc.

  16. 5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H-trione

    Directory of Open Access Journals (Sweden)

    Manfred Steimann

    2013-08-01

    Full Text Available The title compound, C15H18N4O7, is a product of the substitution reaction of 5,5-dibromo-1,3-dimethylbarbituric acid with sodium sulfide in aqueous acetone. In the crystal, molecules display neither intermolecular nor intramolecular hydrogen bonding and the two barbiturate rings adopt the keto form.

  17. 3-{[3-(4-Methoxyphenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H-dione

    Directory of Open Access Journals (Sweden)

    Rachida Dardouri

    2011-07-01

    Full Text Available The molecule of the title compound, C22H23N3O4, features a benzodiazepine fused-ring system whose seven-membered ring adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow. The methylene C atom connected to the methine C atom occupies an equatorial position. The methylene C atom is connected to the five-membered oxazole ring, both of which are disordered over two positions in a 0.634 (4:0.366 (4 ratio. Weak intermolecular C—H...O hydrogen bonding is present in the crystal structure.

  18. Clinical and treatment effects on /sup 3/H-clonidine and /sup 3/H-imipramine binding in elderly depressed patients

    Energy Technology Data Exchange (ETDEWEB)

    Georgotas, A.; Schweitzer, J.; McCue, R.E.; Armour, M.; Friedhoff, A.J.

    1987-06-01

    /sup 3/H-clonidine and /sup 3/H-imipramine binding were measured in depressed patients, 55 years and older. There was no significant difference in either /sup 3/H-clonidine or /sup 3/H-imipramine binding between depressed patients and age- and sex-matched controls. There was no significant correlation between /sup 3/H-clonidine or /sup 3/H-imipramine binding and severity of depression before treatment. There was a significant negative correlation between the K/sub D/ of /sup 3/H-imipramine binding sites and Hamilton score over seven weeks of antidepressant treatment. There was no significant difference between receptor data of responders and nonresponders to antidepressant treatment. 19 references, 2 tables.

  19. Temperature and pressure dependent rate coefficients for the reaction of C2H4 + HO2 on the C2H4O2H potential energy surface.

    Science.gov (United States)

    Guo, JunJiang; Xu, JiaQi; Li, ZeRong; Tan, NingXin; Li, XiangYuan

    2015-04-02

    The potential energy surface (PES) for reaction C2H4 + HO2 was examined by using the quantum chemical methods. All rates were determined computationally using the CBS-QB3 composite method combined with conventional transition state theory(TST), variational transition-state theory (VTST) and Rice-Ramsberger-Kassel-Marcus/master-equation (RRKM/ME) theory. The geometries optimization and the vibrational frequency analysis of reactants, transition states, and products were performed at the B3LYP/CBSB7 level. The composite CBS-QB3 method was applied for energy calculations. The major product channel of reaction C2H4 + HO2 is the formation C2H4O2H via an OH(···)π complex with 3.7 kcal/mol binding energy which exhibits negative-temperature dependence. We further investigated the reactions related to this complex, which were ignored in previous studies. Thermochemical properties of the species involved in the reactions were determined using the CBS-QB3 method, and enthalpies of formation of species were compared with literature values. The calculated rate constants are in good agreement with those available from literature and given in modified Arrhenius equation form, which are serviceable in combustion modeling of hydrocarbons. Finally, in order to illustrate the effect for low-temperature ignition of our new rate constants, we have implemented them into the existing mechanisms, which can predict ethylene ignition in a shock tube with better performance.

  20. 3,4-Methylenedioxyamphetamine (MDA) analogues exhibit differential effects on synaptosomal release of 3H-dopamine and 3H-5-hydroxytryptamine

    Energy Technology Data Exchange (ETDEWEB)

    McKenna, D.J.; Guan, X.M.; Shulgin, A.T. (Department of Neurology Neurological Sciences, Stanford University Medical Center, CA (USA))

    1991-03-01

    The effect of various analogues of the neurotoxic amphetamine derivative, MDA (3,4-methylenedioxyamphetamine) on carrier-mediated, calcium-independent release of 3H-5-HT and 3H-DA from rat brain synaptosomes was investigated. Both enantiomers of the neurotoxic analogues MDA and MDMA (3,4-methylenedioxymethamphetamine) induce synaptosomal release of 3H-5-HT and 3H-DA in vitro. The release of 3H-5-HT induced by MDMA is partially blocked by 10(-6) M fluoxetine. The (+) enantiomers of both MDA and MDMA are more potent than the (-) enantiomers as releasers of both 3H-5-HT and 3H-DA. Eleven analogues, differing from MDA with respect to the nature and number of ring and/or side chain substituents, also show some activity in the release experiments, and are more potent as releasers of 3H-5-HT than of 3H-DA. The amphetamine derivatives {plus minus}fenfluramine, {plus minus}norfenfluramine, {plus minus}MDE, {plus minus}PCA, and d-methamphetamine are all potent releasers of 3H-5-HT and show varying degrees of activity as 3H-DA releasers. The hallucinogen DOM does not cause significant release of either 3H-monoamine. Possible long-term serotonergic neurotoxicity was assessed by quantifying the density of 5-HT uptake sites in rats treated with multiple doses of selected analogues using 3H-paroxetine to label 5-HT uptake sites. In the neurotoxicity study of the compounds investigated, only (+)MDA caused a significant loss of 5-HT uptake sites in comparison to saline-treated controls. These results are discussed in terms of the apparent structure-activity properties affecting 3H-monoamine release and their possible relevance to neurotoxicity in this series of MDA congeners.

  1. 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.

  2. Decay of 5H in a microscopic three-cluster model

    Science.gov (United States)

    Lashko, Yu. A.; Filippov, G. F.

    2008-12-01

    The Pauli-allowed states of a three-cluster model are shown to be orthonormal polynomials of a discrete variable, which become the Kravchuk polynomials as the number of oscillator quanta increases. Such asymptotic behavior corresponds to the subsequent decay of the 5H into the 4H and a neutron.

  3. Quantum-Chemical Ab Initio Calculations on Ala-(C5H5Al) and Galabenzene (C5H5Ga)

    Science.gov (United States)

    Mersmann, Stefanie; Mouhib, Halima; Baldofski, Matthias; Raabe, Gerhard

    2014-07-01

    Quantum-chemical ab initio and time-dependent density functional theory (TD-DFT) calculations employing various basis sets were used to elucidate the spatial as well as the electronic structure of C5H5Al () and C5H5Ga (2) (ala- and galabenzene). The lowest closed shell singlet states of both compounds were found to have a non-planar structure of CS symmetry with C-X-C bond angles of about 116° (MP2/6-311++G**) and 125° (CCSD/aug-cc-pVDZ). At approximately 103°, the corresponding angles of the lowest triplets are significantly smaller. The lowest triplet state of alabenzene is also non-planar (CS) at the MP2 level while optimization with the CCSD and the CASPT2 method resulted in planar structures with C2v symmetry. The corresponding state of galabenzene has C2v symmetry at all levels of optimization. The relative stability of the lowest closed shell singlet and the lowest triplet (ΔE(T1-S0)) state is small and its sign even strongly method-dependent. However, according to the highest levels of theory applied in this study the singlet states of both molecules are slightly lower in energy than the corresponding triplets with singlet/triplet gaps between about 0.5 and 5.8 kcal/mol in favour of the singlet states. Most of the applied methods give a slightly smaller splitting for ala- than for galabenzene. Independent of the applied method (TD-DFT/CAM-B3LYP/6-311++G(3df,3pd)//MP2/6- 311++G** or SAC-CI/6-31++G(3df,3pd)//MP2/6-311++G**), the general shape of the calculated UV/VIS spectral curves are quite similar for the lowest singlet states of ala- and galabenzene, and the same applies to the spectra of the normal modes. The calculated UV/VIS spectra of C5H5Al and C5H5Ga are featured by long wavelength bands of moderate intensity around 900 nm at the TD-DFT and between 1300 and 1500 nm at the SAC-CI level. According to both methods these bands are predominantly due to HOMO(π)→LUMO(σ*) transitions. The results of isodesmic bond separation reactions for the

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Stapled Peptides by Late-Stage C(sp(3) )-H Activation.

    Science.gov (United States)

    Noisier, Anaïs F M; García, Jesús; Ionuţ, Ioana A; Albericio, Fernando

    2017-01-02

    Despite the importance of stapled peptides for drug discovery, only few practical processes to prepare cross-linked peptides have been described; thus the structural diversity of available staple motifs is currently limited. At the same time, C-H activation has emerged as an efficient approach to functionalize complex molecules. Although there are many reports on the C-H functionalization of amino acids, examples of post-synthetic peptide C-H modification are rare and comprise almost only C(sp(2) )-H activation. Herein, we report the development of a palladium-catalyzed late-stage C(sp(3) )-H activation method for peptide stapling, affording an unprecedented hydrocarbon cross-link. This method was first employed to prepare a library of stapled peptides in solution. The compatibility with various amino acids as well as the influence of the size (i,i+3 and i,i+4) and length of the staple were investigated. Finally, a simple solid-phase procedure was also established.

  9. 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...

  10. 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.

  11. 1H- and 2H-T1 relaxation behavior of the rhodium dihydrogen complex [(triphos)Rh(eta 2-H2)H2]+.

    Science.gov (United States)

    Bakhmutov, V I; Bianchini, C; Peruzzini, M; Vizza, F; Vorontsov, E V

    2000-04-17

    Protonation of the classical trihydride [(triphos)RhH3] (2) at 210 K in either THF or CH2Cl2 by either HBF4.OMe2 or CF3SO2OH gives the nonclassical eta 2-H2 complex [(triphos)Rh(eta 2-H2)H2]+ (1) [triphos = MeC(CH2PPh2)3]. Complex 1 is thermally unstable and highly fluxional in solution. In THF above 230 K, 1 transforms into the solvento dihydride complex [(triphos)Rh(eta 1-THF-d8)H2]+ (5) that, at room temperature, quickly converts to the stable dimer trans-[[(triphos)RhH]2(mu-H)2]2+ (trans-6). In CH2Cl2, 1 is stable up to 240 K. Above this temperature, the eta 2-H2 complex begins to convert into a mixture of trans- and cis-6, which, in turn, transform into the bridging-chloride dimers trans- and cis-[[(triphos)RhH]2(mu-Cl)2]2+ at room temperature. Complex 1 contains a fast-spinning H2 ligand with a T1min of 38.9 ms in CD2Cl2 (220 K, 400 MHz). An NMR analysis of the bis-deuterated isotopomer [(triphos)RhH2D2]+ (1-d2) did not provide a J(HD) value. At 190 K, the perdeuterated isotopomers [(triphos)RhD3] (2-d3) and 1-d4 show T1min values of 16.5 and 32.6 ms (76.753 MHz), respectively, for the rapidly exchanging deuterides. An analogous 2-fold elongation of T1min is also observed on going from [(triphos)IrD3] to [(triphos)Ir(eta 2-D2)D2]+. A rationale for the elongation of T1min in nonclassical polyhydrides is proposed on the basis of both the results obtained and recent literature reports.

  12. From {sup 3}H to {sup 195m}Pt

    Energy Technology Data Exchange (ETDEWEB)

    Akaboshi, Mitsuhiko [Kyoto Univ., Kumatori, Osaka (Japan). Research Reactor Inst.

    2000-01-01

    Prof. M. Akaboshi reported his works from 1960 to 1990 ages. He started his studies at the biological using {sup 31}P(n, {gamma}) {sup 32}P. This research determined the direction of his groups researches in order that {sup 31}P(n, {gamma}) {sup 32}P reaction has two sides such as reunion and free of {sup 32}P to the parent compound. A noncatalytic phosphorylation was studied by using {sup 31}P formed from {beta} decay of {sup 31}Si. {sup 32}S from {beta} decay of {sup 32}P easily synthesized Cystein. {sup 14}C, {sup 32}P, {sup 3}H water and {sup 90}Y were used as the {beta}-ray irradiation field. By joint use of {sup 195m}Pt-cisplatin, the lethal mechanisms of new kinds of platinum anticancer agents and platinum compounds to cell were researched by a target dose analysis method developed. Cispaladium from {sup 109}Pd was studied, too. His group studied rare earth metal elements and many results were obtained such as they were concentrated specifically by a kind of organisms and the enrichment patterns were changed by elements. Pteridophytes concentrated them, especially Eu and Tb. Ce (IV) and other elements showed strong hydrolysis activity to phosphoric monoester compounds. The activity was 0.11 umole/umole-Ce(IV).hr{sup -1}at 20degC. But breakage of phosphoric acid ester by Ce(IV) was controlled in the presence of protein-peptides. {sup 141}Ce, {sup 160}Tb and {sup 170}Tm proved that they bonded very fast to only proteins. These results indicated that protein existed in the primitive earth before the rare earth elements. (S.Y.)

  13. Light microscopic autoradiographic localization of (/sup 3/H)pirenzepine and (/sup 3/H)(/sup -/)quinuclidinyl benzilate binding in human stellate ganglia

    Energy Technology Data Exchange (ETDEWEB)

    Yamamura, H.I.; Watson, M.; Wamsley, J.K.; Johnson, P.C.; Roeske, W.R.

    1984-08-13

    The LKB Ultrofilm method of autoradiography has been utilized to anatomically localize putative M/sub 1/ and M/sub 2/ muscarinic receptor subtypes in human stellate ganglia. Ten micron sections were labeled in vitro with either 1 nM of the classical antagonist (/sup 3/H)(/sup -/)quinuclidinyl benzilate ((/sup 3/H)(/sup -/)QNB) or 20 nM of the non-classical antagonist (/sup 3/H)pirenzepine ((/sup 3/H)PZ), using 1 ..mu..M atropine sulfate to define non-specific binding for both ligands. The results indicate that (/sup 3/H)(/sup -/)QNB and (/sup 3/H)PZ binding sites are distributed within the principal ganglion cells and nerve bundles.

  14. Radioactive contamination of the marine environment: Uptake and distribution of3H in Dunaliella bioculata

    Science.gov (United States)

    Strack, S.; Bonotto, S.; Kirchmann, R.

    1980-03-01

    The marine flagellate Dunaliella bioculata, which is easily cultivated under laboratory conditions, is a suitable organism for assessing the importance of the radioactive contamination by3H bound to organic molecules. We have studied the uptake of the following tritiated precursors: thymidine-methyl-3H, adenine-2-3H, uridine-5-3H, l-leucine-4-3H, glycine-2-3H, l-arginine-3.4-3H, 1-aspartic acid-2. 3-3H, 1-phenylalanine-2.3-3H, D-glucose-2-3H and D-glucose-6-3H. Under the experimental conditions (2000 lux; incubation time 30 min), all tritiated molecules are taken up by D. bioculata. Their intracellular concentration may reach that of the external medium. However, leucine and adenine accumulate in the algae: their respective concentrations are 10 and 100 times higher than in the culture medium. The molecular distribution of3H has been studied by various biochemical techniques and by sieve chromatography on sepharose 4B. It has been found that more l-leucine-4-3H is incorporated into acid and acetone soluble substances than into proteins. Adenine-2-3H is mainly incorporated into macromolecules of biological significance (RNA, DNA). CsCl gradient centrifugation has shown that the total DNA of Dunaliella is constituted by a major (ϖ=1.707 g/cm3) and by a minor (ϖ=1.693 g/cm3) component.

  15. Synthesis, reactions and biological activity of 3-arylidene-5-(4-methylphenyl-2(3H-furanones

    Directory of Open Access Journals (Sweden)

    ASIF HUSAIN

    2009-02-01

    Full Text Available 3-Arylidene-5-(4-methylphenyl-2(3H-furanones 2a–m were prepared from 3-(4-methyl-benzoylpropanoic acid 1 and several aromatic aldehydes. Some of the selected furanones were reacted with ammonia gas and benzylamine to give corresponding 3-arylidene-1,3-dihydro-5-(4-methylphenyl-2H-pyrrol-2-ones 3a–h and 3-arylidene-1-benzyl-1,3-dihydro-5-(4-methylphenyl-2H-pyrrol-2-ones 4a–f, respectively, which were characterized on the basis of IR, 1H-NMR, mass spectral data and elemental analysis results. These compounds were tested for their anti-inflammatory and antibacterial activities. The compounds, which showed significant anti-inflammatory activity, were further screened for their analgesic and ulcerogenic activities. Three new compounds (2e, 2h and 4d, out of twenty-seven showed very good anti-inflammatory activity in the carrageenan induced rat paw edema test, with significant analgesic activity in the acetic acid induced writhing test together with negligible ulcerogenic action. The antibacterial activity is expressed as the corresponding MIC values.

  16. 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.

  17. 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

  18. DNA Mismatch Repair Interacts with CAF-1- and ASF1A-H3-H4-dependent Histone (H3-H4)2 Tetramer Deposition.

    Science.gov (United States)

    Rodriges Blanko, Elena; Kadyrova, Lyudmila Y; Kadyrov, Farid A

    2016-04-22

    DNA mismatch repair (MMR) is required for the maintenance of genome stability and protection of humans from several types of cancer. Human MMR occurs in the chromatin environment, but little is known about the interactions between MMR and the chromatin environment. Previous research has suggested that MMR coincides with replication-coupled assembly of the newly synthesized DNA into nucleosomes. The first step in replication-coupled nucleosome assembly is CAF-1-dependent histone (H3-H4)2 tetramer deposition, a process that involves ASF1A-H3-H4 complex. In this work we used reconstituted human systems to investigate interactions between MMR and CAF-1- and ASF1A-H3-H4-dependent histone (H3-H4)2 tetramer deposition. We have found that MutSα inhibits CAF-1- and ASF1A-H3-H4-dependent packaging of a DNA mismatch into a tetrasome. This finding supports the idea that MMR occurs before the DNA mismatch is packaged into the tetrasome. Our experiments have also revealed that CAF-1- and ASF1A-H3-H4-dependent deposition of the histone (H3-H4)2 tetramers does not interfere with MMR reactions. In addition, we have established that unnecessary degradation of the discontinuous strand that takes place in both DNA polymerase δ (Pol δ)- and DNA polymerase ϵ (Pol ϵ)-dependent MMR reactions is suppressed by CAF-1- and ASF1A-H3-H4-dependent deposition of the histone (H3-H4)2 tetramers. These data suggest that CAF-1- and ASF1A-H3-H4-dependent deposition of the histone (H3-H4)2 tetramers is compatible with MMR and protects the discontinuous daughter strand from unnecessary degradation by MMR machinery.

  19. Hydrogen dynamics in soil organic matter as determined by 13C and 2H labeling experiments

    Science.gov (United States)

    Paul, Alexia; Hatté, Christine; Pastor, Lucie; Thiry, Yves; Siclet, Françoise; Balesdent, Jérôme

    2016-12-01

    Understanding hydrogen dynamics in soil organic matter is important to predict the fate of 3H in terrestrial environments. One way to determine hydrogen fate and to point out processes is to examine the isotopic signature of the element in soil. However, the non-exchangeable hydrogen isotopic signal in soil is complex and depends on the fate of organic compounds and microbial biosyntheses that incorporate water-derived hydrogen. To decipher this complex system and to understand the close link between hydrogen and carbon cycles, we followed labeled hydrogen and labeled carbon throughout near-natural soil incubations. We performed incubation experiments with three labeling conditions: 1 - 13C2H double-labeled molecules in the presence of 1H2O; 2 - 13C-labeled molecules in the presence of 2H2O; 3 - no molecule addition in the presence of 2H2O. The preservation of substrate-derived hydrogen after 1 year of incubation (ca. 5 % in most cases) was lower than the preservation of substrate-derived carbon (30 % in average). We highlighted that 70 % of the C-H bonds are broken during the degradation of the molecule, which permits the exchange with water hydrogen. Added molecules are used more for trophic resources. The isotopic composition of the non-exchangeable hydrogen was mainly driven by the incorporation of water hydrogen during microbial biosynthesis. It is linearly correlated with the amount of carbon that is degraded in the soil. The quantitative incorporation of water hydrogen in bulk material and lipids demonstrates that non-exchangeable hydrogen exists in both organic and mineral-bound forms. The proportion of the latter depends on soil type and minerals. This experiment quantified the processes affecting the isotopic composition of non-exchangeable hydrogen, and the results can be used to predict the fate of tritium in the ecosystem or the water deuterium signature in organic matter.

  20. Distribution of 3H within purine nucleotides of Ehrlich mouse ascites tumour cells after intraabdominal injection of myo-[2-3H]inositol

    DEFF Research Database (Denmark)

    Christensen, Søren; Klenow, H.; Overgaard-Hansen, Kay

    2000-01-01

    In Ehrlich mouse ascites tumour cells, exposed intra-abdominally to [2-3H]inositol, ATP and GTP presented enough aberrant 3H-label to cause potential interference in the chromatographic analysis of inositol phosphates involved in signal transduction. After acid extraction and charcoal adsorption...

  1. 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.

  2. 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.

  3. The distribution and abundance of interstellar C2H

    Science.gov (United States)

    Huggins, P. J.; Carlson, W. J.; Kinney, A. L.

    1984-01-01

    C2H(N = 1-0) emission has been extensively observed in a variety of molecular clouds, including: 12 hot, dense, cloud cores, 3 bright-rimmed clouds (in NGC 1977, IC 1396, and IC 1848), and across the extended OMC - 1 cloud. It has also been observed in the circumstellar envelopes IRC + 10216 and AFGL 2688. Abundance analyses of the molecular clouds yield C2H/(C-13)O abundance ratios of about 0.01, with little variation (less than about a factor of 4) either between clouds or across individual clouds. In the Orion plateau source, the C2H abundance is enhanced by less than a factor of 4, relative to the extended cloud. The generally high levels of C2H found in the molecular clouds are not readily accounted for by simple, steady-state chemical models, and suggest, as do earlier observations of atomic carbon, that the carbon chemistry in dense clouds is more active than is commonly assumed.

  4. Synthesis of 2H-Chromenones from Salicylaldehydes and Arylacetonitriles

    Directory of Open Access Journals (Sweden)

    Chengcai Li

    2017-07-01

    Full Text Available An efficient and convenient protocol for the synthesis of 2H-chromenones has been developed. In the presence of tBuOK in DMF, good to excellent yields of various chromenones were obtained from the corresponding salicylaldehydes and arylacetonitriles. No protection of inert gas atmosphere is required here.

  5. Symmetry of the polarizability tensors for molecules with D 5h and I h symmetry

    Science.gov (United States)

    Ramaniah, Lavanya M.; Nair, Selvakumar V.; Rustagi, Kailash C.

    1993-02-01

    We present the spatial symmetry relations between the components of the linear and nonlinear electric dipolar polarizability tensors for the symmetry groups of C 60 and C 70 molecules viz., I h and D 5h. We show that the first hyperpolarizability β of C 7 0 vanishes although the molecule is not inversion symmetric. The second hyperpolarizability γ for C 60 has the same structure as that for an isotropic system. Based on these results, optical harmonic generation measurements to study the inter-molecular bonding in C 60 and C 70 crystals are suggested.

  6. 3-(4-Bromophenyl-4-(4-hydroxyanilinofuran-2(5H-one

    Directory of Open Access Journals (Sweden)

    Wanxi Peng

    2011-09-01

    Full Text Available In the title compound, C16H12BrNO3, the butyrolactone core adopts the furan-2(5H-one structure and forms dihedral angles of 44.80 (17 and 65.73 (18° with the bromobenzene and phenol rings, respectively. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules, generating R43(26 loops The edge-fused rings extend to form a chain running along the b-axis direction and C—H...π contacts help to consolidate the packing.

  7. TSH-induced cyclic AMP production in an ovine thyroid cell line: OVNIS 5H.

    Science.gov (United States)

    Fayet, G; Aouani, A; Hovsépian, S

    1986-01-06

    The TSH-induced cyclic AMP response was studied using a 3-year-old ovine thyroid cell line TSH-independent for growth: OVNIS 5H. The kinetics of cyclic AMP production was followed both in cell layers and in cell culture media, with or without phosphodiesterase inhibitor. It is noteworthy that following the first wave in cyclic AMP obtained within minutes, we observed later a sustained exponential increase in cyclic AMP during the 5 days following TSH stimulation. A bioassay of TSH was derived allowing measurement of 1 microU/ml TSH from a crude bTSH preparation.

  8. Hydrogen quantum effects in hydride LaNi(5)H(7).

    Science.gov (United States)

    Kaneko, Tomoaki; Tezuka, Akinori; Ogawa, Hiroshi; Ikeshoji, Tamio

    2011-09-15

    Energy eigenvalues and wave functions of hydrogen atoms in hydride LaNi(5)H(7) are calculated. First-principles electronic structure calculations are employed to obtain the three-dimensional potential energy structure of each hydrogen site. These quantum effects are not negligibly small in evaluation of enthalpy of formation, an important property of hydrogen storage. Including the temperature effect from hydrogen gas, experimental values are well reproduced. The excitation probability of inelastic neutron scattering is also calculated using the wave functions obtained.

  9. Electronic spectra of linear HC$_5$H and cumulene carbene H$_2$C$_5$

    CERN Document Server

    Steglich, M; Maity, S; Nagy, A; Maier, J P

    2015-01-01

    The $1 ^3\\Sigma_u^- \\leftarrow X^3\\Sigma_g^-$ transition of linear HC$_5$H (A) has been observed in a neon matrix and gas phase. The assignment is based on mass-selective experiments, extrapolation of previous results of the longer HC$_{2n+1}$H homologues, and density functional and multi-state CASPT2 theoretical methods. Another band system starting at 303 nm in neon is assigned as the $1 ^1 A_1 \\leftarrow X ^1 A_1$ transition of the cumulene carbene pentatetraenylidene H$_2$C$_5$ (B).

  10. Temperature dependent product yields for the spin forbidden singlet channel of the C(3P) + C2H2 reaction

    Science.gov (United States)

    Hickson, Kevin M.; Loison, Jean-Christophe; Wakelam, Valentine

    2016-08-01

    The atomic hydrogen formation channels of the C + C2H2 reaction have been investigated using a continuous supersonic flow reactor over the 52-296 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 c-C3H abundance. This reaction is a minor source of C3-containing molecules in the present simulations.

  11. Competitive inhibition of cytosolic Ca2+-dependent phospholipase A2 by acteoside in RBL-2H3 cells.

    Science.gov (United States)

    Song, Ho Sun; Choi, Mi Young; Ko, Myoung Soo; Jeong, Jae Min; Kim, Yong Ho; Jang, Beom Hyeon; Sung, Ji Hoon; Kim, Min Gyu; Whang, Wan Kyunn; Sim, Sang Soo

    2012-05-01

    The aim of this study was to investigate whether acteoside isolated from Clerodendron trichotomum Thunberg may act as a selective inhibitor of phospholipase A(2) in RBL-2H3 cells. Acteoside dose-dependently inhibited 0.5 μM melittin-induced release of [(3)H]arachidonic acid, which was due to the inhibition of cytosolic Ca(2+)-dependent phospholipase A(2) (cPLA(2)) rather than secretory PLA(2) (sPLA(2)). In Dixon plots, the apparent K ( i ) value of acteoside on cPLA(2) was 5.9 μM and the inhibitory pattern appeared to be a competitive inhibitor. The above data, suggests that acteoside acts as a competitive inhibitor of cPLA(2) in RBL-2H3 cells.

  12. 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.

  13. Design, Synthesis and Biological Evaluation of Novel 5H-Chromenopyridines as Potential Anti-Cancer Agents

    Directory of Open Access Journals (Sweden)

    Souvik Banerjee

    2015-09-01

    Full Text Available A novel series of 5H-chromenopyridines was identified as anticancer agents in our continuing effort to discover and develop new small molecule anti-proliferative agents. Based on our initial lead SP-6-27 compound, we designed and synthesized novel tricyclic 5H-thiochromenopyridine and 5H-chromenopyridine analogs to evaluate the impact of an additional ring, as well as conformational flexibility on cytotoxic activity against human melanoma and glioma cell lines. All of the 5H-thiochromenopyridines have been achieved in good yields (89%–93% using a single-step, three-component cyclization without the need for purification. The 5H-chromenopyridine analog of the potent 5H-thiochromenopyride was obtained in a good yield upon purification. All newly-prepared 5H-thiochromenopyridines showed good to moderate cytotoxicity against three melanoma and two glioma cell lines (3–15 μM. However, the 5H-chromenopyridine analogue that we prepared in our laboratory lost cytotoxic activity. The moderate cytotoxic activity of 5H-thiochromenopyridines shows the promise of developing chromenopyridines as potential anticancer agents.

  14. Analysis of Organic Samples from the 5-H and 3-F Pump Tanks and Waste Tank 38H

    Energy Technology Data Exchange (ETDEWEB)

    Swingle, R.F. II

    1999-07-28

    Analyses for organic materials in aqueous and surface floating samples taken from the 5-H Pump Tank and Waste Tank 38H and in vapor samples taken from the 5-H and 3-F Pump Tanks have been completed. The results indicate that the concentration of organic materials is extremely low in all samples. This report documents the development of sampling and analysis techniques for this sampling as well as the results of the analyses of vapor samples pulled from Pump Tanks 5-H and 3-F and liquid samples pulled from Waste Tank 38H and Pump Tank 5-H.

  15. 10-(4-Chlorophenyl-9-(4-fluorophenyl-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H-dione

    Directory of Open Access Journals (Sweden)

    Da Teng

    2008-09-01

    Full Text Available The title compound, C29H29ClFNO2, was synthesized by the reaction of 4-fluorobenzaldehyde, 5,5-dimethylcyclohexane-1,3-dione and 3-(4-chlorophenylamino-5,5-dimethylcyclohex-2-enone in an ionic liquid (1-butyl-3-methylimidazolium bromide. X-ray analysis reveals that the 1,4-dihydropyridine ring adopts a boat conformation, while each of the attached partially saturated six-membered rings adopts a half-chair conformation. The structure is stabilized by weak C—H...O and C—H...F hydrogen bonds. The molecule has approximate mirror symmetry; the largest deviation from this symmetry concerns the fluoro- and chlorophenyl rings.

  16. Translational energy distribution from C sub 2 H sub 2 + hv(193. 3 nm) yields C sub 2 H + H

    Energy Technology Data Exchange (ETDEWEB)

    Segall, J.; Wen, Y.; Lavi, R.; Singer, R.; Wittig, C. (Univ. of Southern California, Los Angeles (United States))

    1991-10-17

    The authors report the center-of-mass translational energy distribution for 193.3-nm photolysis of expansion-cooled C{sub 2}H{sub 2}, using high-n Rydberg-level excitation of nascent H atoms to facilitate high-resolution time-of-flight measurements. The observed resolution of {approximately}200 cm{sup {minus}1} is presently limited by the ArF photolysis laser, whose band width is approximately 200 cm{sup {minus}1}. The reported distribution clearly resolves a C{sub 2}H bending progression (v{sub 2}{approximately}400 cm{sup {minus}1}), which reflects the trans-bent C{sub 2}H{sub 2} excited state. A definitive assignment of all features is still not possible on the basis of currently available information of C{sub 2}H. These measurements yield an upper bound to D{sub 0} of 131.8 {plus minus} 0.5 kcal mol{sup {minus}1}.

  17. /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.

  18. Autoradiographic analysis of the in vivo distribution of 3H-imipramine and 3H-desipramine in brain: Comparison to in vitro binding patterns

    Energy Technology Data Exchange (ETDEWEB)

    Duncan, G.E.; Paul, I.A.; Fassberg, J.B.; Powell, K.R.; Stumpf, W.E.; Breese, G.R. (Department of Cell Biology and Anatomy, School of Medicine, University of North Carolina, Chapel Hill (USA))

    1991-03-01

    Using high resolution autoradiographic techniques, the distribution of radioactivity in forebrain and brainstem was assessed after 4 injection of 3H-impramine or 3H-desipramine. Results were compared with regional binding of the drugs to brain sections in vitro. Similar topographic binding of 3H-imipramine and 3H-desipramine was observed in vitro among brain regions, except in the paraventricular nucleus of the hypothalamus and locus coeruleus, where binding was greater for 3H-desipramine. For both 3H-desipramine and 3H-imipramine, some brain regions that exhibited high binding in vitro also showed high accumulation after in vivo injection. However, certain regions that contained high densities of binding sites for the antidepressant drugs as measured by in vitro binding showed very low accumulation of radioactivity after in vivo treatment. Such regions included the dentate gyrus of the hippocampus, layer 1 of piriform cortex, caudate-putamen, pontine and midbrain central gray, and cerebellar granular layer. Compared to in vitro binding of the drugs, the distribution of imipramine and desipramine in vivo appears more anatomically selective. For imipramine, primary sites of action in vivo, as indicated by the topographic distribution in brain, appear to be the locus coeruleus, hippocampus, lateral septal nucleus, and amygdala. For desipramine, the greatest accumulation in vivo was found in the locus coeruleus, paraventricular nucleus of the hypothalamus, and anterior thalamic nuclei.

  19. SMA OBSERVATIONS OF THE W3(OH) COMPLEX: PHYSICAL AND CHEMICAL DIFFERENTIATION BETWEEN W3(H{sub 2}O) AND W3(OH)

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Sheng-Li [Department of Astronomy, Yunnan University, and Key Laboratory of Astroparticle Physics of Yunnan Province, Kunming, 650091 (China); Schilke, Peter; Sánchez-Monge, Álvaro [Physikalisches Institut, Universität zu Köln, Zülpicher Str. 77, D-50937 Köln (Germany); Wu, Jingwen [Department of Physics and Astronomy, University of California, Los Angeles, CA 90095 (United States); Wu, Yuefang [Department of Astronomy, Peking University, Beijing, 100871 (China); Liu, Tie [Korea Astronomy and Space Science Institute 776, Daedeokdaero, Yuseong-gu, Daejeon, Korea 305-348 (Korea, Republic of); Liu, Ying, E-mail: slqin@bao.ac.cn [Department of Physics and Hebei Advanced Thin Film Laboratory, Hebei Normal University, Shijiazhuang 050024 (China)

    2015-04-10

    We report on the Submillimeter Array (SMA) observations of molecular lines at 270 GHz toward the W3(OH) and W3(H{sub 2}O) complex. Although previous observations already resolved the W3(H{sub 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 the W3(OH) and W3(H{sub 2}O) continuum cores. Taking advantage of the line fitting tool XCLASS, we identified and modeled a rich molecular spectrum in this complex, including multiple CH{sub 3}CN and CH{sub 3}OH transitions in both cores. HDO, C{sub 2}H{sub 5}CN, O{sup 13}CS, and vibrationally excited lines of HCN, CH{sub 3}CN, and CH{sub 3}OCHO were only detected in W3(H{sub 2}O). We calculate gas temperatures and column densities for both cores. The results show that W3(H{sub 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{sub 2}O) to those in the Sgr B2(N) hot core, the Orion KL hot core, and the Orion Compact Ridge, and discuss the chemical origin of specific species. An east–west velocity gradient is seen in W3(H{sub 2}O), and the extension is consistent with the bipolar outflow orientation traced by water masers and radio jets. A north–south velocity gradient across W3(OH) is also observed. However, with current observations we cannot be assured whether the velocity gradients are caused by rotation, outflow, or radial velocity differences of the sub-components of W3(OH)

  20. Cognitive influence of a 5-h ENERGY® shot: Are effects perceived or real?

    Science.gov (United States)

    Buckenmeyer, Philip J; Bauer, Jeffery A; Hokanson, James F; Hendrick, Joy L

    2015-12-01

    With the gain in popularity and use of 'functional energy drinks' (FEDs), manufacturers of these beverages have been making greater claims as to their benefits on a number of performance factors including mental alertness, energy, and physical performance. Few experimental studies have been conducted on FEDs, and no study to date has examined their effects over time. This study looked at the effects of consumption of a 5-h ENERGY® shot (5-HES) on various cognitive functions across five hours on 24 college-aged students using a double-blind, cross-over, placebo-based design. Participants completed a series of five computer-based tests before ingesting the beverage (either 5-HES or placebo) and then completed the tests for each of the next five hours (morning to midday). One week later, they repeated the process with the other beverage. While 90% of participants subjectively thought that the 5-HES was effective at one-hour post-ingestion, no evidence was found to support an enhanced effect on recognition, reaction time, short-term and working memory, or attention capacity. In conclusion, the 5-h Energy Shot® did not significantly improve short- or long-term cognitive function for selected computer-based tasks despite a high level of perception that it was working effectively compared to a placebo with college-aged participants.

  1. Study on delayed cracking of conductive notch under electric field in PZT-5H ferroelectric ceramics

    Institute of Scientific and Technical Information of China (English)

    QIAO Guangli; SU Yanjing; QIAO Lijie; CHU Wuyang

    2006-01-01

    Electric-field-induced delay cracking of conducting notch in PZT-5H ferroelectric ceramics has been studied using a compact specimen with a notch filled in conductive silver paste. The critical electric field that induces instant failure of the PZT-5H specimen is shown to be EF = 14.7(3.2 kV/cm. When an electric field lower than EF, but higher than EDF = 9.9 kV/cm was applied, a micro-crack formed at the conductive notch tip instantly, propagating slowly until the specimen failure. When the electric field was lower than EDF, the micro-crack propagated a short distance, and then stopped. When the electric field was lower than EK=4.9 kV/cm, no cracks formed at the conductive notch tip instantly, however, a delay micro-crack would form and propagate. When the electric field was lower than EDK=2.4 kV/cm, no cracks formed and delay propagation occurred. A model for electric charge emission and concentration at a conductive notch is proposed to explain the delay cracking of conducting notch.

  2. 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

  3. CN and C2H in IRC +10216

    Science.gov (United States)

    Huggins, P. J.; Glassgold, A. E.; Morris, M.

    1984-01-01

    The effects of the production of the radicals CN and C2H from the dissociation of HCN and C2H2 by ambient UV photons in the outer envelope of IRC +10216 are investigated. The spatial distribution of the radicals and their observable millimeter emission-line characteristics are calculated from the inferred abundances of the progenitor species in the envelope of IRC +10216 using photochemical and radiative transfer models. These are compared with available observations to examine whether photoproduction is a possible explanation of the observed emission from these species. The results suggest that the variable abundances induced by photodestruction of their progenitors do affect the observed emission from the radicals.

  4. Reatividade de 2H-azirinas-funcionalizadas com hidrazinas

    OpenAIRE

    Cecilia Maria Alves de Oliveira

    1987-01-01

    Resumo: As azirinas são intermediários sintéticos importantes na química de heterocíclicos. No presente trabalho, reações de 3-fenil-2-formil-2H-azirina(41) e 3-fenil-2-formil-2-metil-2H-azirina(42) que possuem um grupo aldeído na posição 2 do anel, são investigadas. A reação de (41) com hidrazina leva a 4-amino-3-fenil-pirazol (57) e a reação de (42), que possui um substituinte metila adicional na posição 2 do anel, com o mesmo nucleófilo leva a 1,4-dihidro 3-fenil-5-metil-1,2,4-triazina (72...

  5. Recent Progress in Metal-Catalyzed Reactions of 2(5H)-Furanones%金属催化的2(5H)-呋喃酮反应研究进展

    Institute of Scientific and Technical Information of China (English)

    毛超旭; 汪朝阳; 谭越河; 薛福玲

    2011-01-01

    2(5H)-呋喃酮结构单元广泛存在于天然产物中,同时许多2(5H)-呋喃酮类化合物也是重要的有机合成中间体.因此,基于常见2(5H)-呋喃酮的有机合成研究近年来引起了人们的关注,尤其是金属催化的2(5H)-呋喃酮反应的地位日趋彰显重要,从而成为众多化学工作者的研究热点.按照反应类型的不同,对近年来金属催化的2(5H)-呋喃酮反应的研究进展进行了综述,主要包括Sonogashira,Suzuki,Stille等偶联反应,以及Michael加成反应、Friedel-Crafts烷基化反应、Baylis-Hillman反应、亲核取代反应、还原反应等.%The unique carbon skeleton of 2(5H)-furanone is widely present in a variety of natural products, and many compounds containing 2(5H)-furanone skeleton are important synthetic intermediates. Recently, more and more attentions have been attracted to the organic synthesis based on 2(5H)-furanones, especially via the metal-catalyzed reactions of 2(5H)-furanones. Classified as different types, the recent progress in metal-catalyzed reactions of 2(5H)-furanones, mainly including Sonogashira reaction, Suzuki reaction, Stille reaction, Michael addition, Friedel-Crafts alkylation, Baylis-Hillman reaction, nucleophilic substitution, and reduction reaction, is reviewed in this paper.

  6. 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.

  7. Electron-Deficient Iron Alkyl Complexes Supported by Diimine Ligand (Ph2CN)(2)C2H4 : Evidence for Reversible Ethylene Binding

    NARCIS (Netherlands)

    Volbeda, Jeroen; Meetsma, Auke; Bouwkamp, Marco W.

    2009-01-01

    Reaction of diimine ligands (Ph2CN)(2)CnH2n (n = 2, a; n = 3, b) with FeCl2 or FeBr2 results in formation of the corresponding high-spin ferrous complexes {Ph2CN)(2)C2H4} FeX2 (1a, X = Cl; 2a, X = Br) and {(Ph2CN)(2)C3H3}FeCl2 (1b). Dialkyl {(Ph2CN)(2)C2H4) Fe(CH2SiMe3)(2) (3a) was prepared by

  8. A Metalloradical Approach to 2H-Chromenes

    Science.gov (United States)

    Paul, Nanda D.; Mandal, Sutanuva; Otte, Matthias; Cui, Xin; Zhang, X. Peter; de Bruin, Bas

    2014-01-01

    Cobalt(III)–carbene radicals, generated through metalloradical activation of salicyl N-tosylhydrazones by cobalt(II) complexes of porphyrins, readily undergo radical addition to terminal alkynes to produce salicyl-vinyl radical intermediates. Subsequent hydrogen atom transfer (HAT) from the hydroxy group of the salicyl-moiety to the vinyl-radical leads to the formation of 2H-chromenes. The Co(II)-catalyzed process can tolerate various substitution patterns and produces the corresponding 2H-chromene products in good isolated yields. EPR spectroscopy and radical-trapping experiments with TEMPO are in agreement with the proposed radical mechanism. DFT calculations reveal the formation of the salicyl-vinyl radical intermediate by a metalloradical mediated process. Unexpectedly, subsequent HAT from the hydroxy moiety to the vinyl radical leads to formation of an o-quinone methide intermediate, which dissociates spontaneously from the cobalt center and easily undergoes an endo-cyclic, sigmatropic ring-closing reaction to form the final 2H-chromene product. PMID:24400781

  9. Comparison of high affinity binding of {sup 3}H-proadifen and {sup 3}H-(-)-cocaine t rat liver membranes

    Energy Technology Data Exchange (ETDEWEB)

    Ross, S.B. [Astra Arcus AB, Dept. of Neuropharmacology, Soedertaelje (Sweden)

    1995-06-01

    The characteristics of the binding of {sup 3}H-proadifen to rat liver membranes were studied and compared to those of {sup 3}H-cocaine. It was found that {sup 3}H-proadifen was bound reversibly with high affinity (K{sub D}=1.8{+-}0.5 nM) and large capacity (B{sub max}=2010{+-}340 pmol/g wet tissue) to liver membranes. The corresponding values for the {sup 3}H-cocaine binding were 3.5 nM and 1000 pmol/g wet tissue. The binding of {sup 3}H-proadifen was mainly localised to the microsomal fraction. The number of binding sites was not increased by treatment of rats with phenobarbitone. With 1 {mu}M CdCl{sub 2} in the incubation buffer it was possible to differentiate between two {sup 3}H-cocaine binding sites with K{sub d} values of 1.6 and 7.7 nM and B{sub max} values of 280 and 940 pmol/g wet liver tissue. S-(-)-Alaproclate inhibited the binding of {sup 3}H-proadifen and {sup 3}H-cocaine inhibited the binding of {sup 3}H-proadifen (IC{sub 50}=10 nM) and proadifen that of {sup 3}H-cocaine (IC{sub 50}=1 nM). There was a high correlation coefficient (r{sub r}=0.972; P<0.01; n=12) in the Spearman rank test between the inhibitory potencies of compounds examined in both systems. Beside some potent alaproclate analogues a couple of compounds had moderately high affinity (IC{sub 50}=100-500 nM): chloroquine, phenoxybenzamine, amitriptyline, ajmaline, remoxipride, imipramine and (-)-alaprenolol. CdCl{sub 2}, ZnCl{sub 2} and CuCl{sub 2} inhibited the binding of both ligands with low Hill coefficients, indicating heterogeneous binding sites. The inhibition curve of Cd{sup 2+} on the cocaine binding was biphasic with a high affinity part around 50 nM and a low affinity part at 15{mu}M. The similarity of the characteristics of the binding of these ligands with that of {sup 3}H-alaproclate is discussed. It is suggested that all three compounds bind to the same sites, although additional binding sites seem to exist for proadifen. (au) (9 refs.).

  10. In2S3-H2O系电位-pH图%Potential-pH diagrams of In2S3-H2O system

    Institute of Scientific and Technical Information of China (English)

    俞小花; 谢刚; 李永刚; 杨大锦; 刘春侠

    2008-01-01

    通过热力学计算,给出了In2S3-H2O系的反应平衡式及电位-pH的关系式,并绘制了25 ℃和150 ℃下In2S3-H2O系的电位-pH图,为含硫化铟的矿物高温氧化浸出提供了一定的热力学数据.

  11. Experimental cross-sections energy dependence and an ab initio electronic structure survey of the ground singlet potential surface for reactive Li(+) + n-C(3)H(7)Cl collisions at low energies.

    Science.gov (United States)

    Lucas, José María; de Andrés, Jaime; Albertí, Margarita; Bofill, Josep Maria; Bassi, Davide; Aguilar, Antonio

    2010-11-07

    Reactive collisions between n-C(3)H(7)Cl molecules and lithium ions both in their ground electronic state have been studied in the 0.05-7.00 eV center of mass energy range using an octopole radio frequency guided-ion beam apparatus developed in our laboratory and recently modified. At low collision energies, dehydrohalogenation reactions leading to Li(C(3)H(6))(+) and Li(HCl)(+) are the main reaction channels, while on increasing energies C(3)H(7)(+) and C(2)H(3)(+) formation become dominant. Cross section energy dependences in arbitrary units for all these reactions have been measured. Also, ab initio electronic structure calculations at the MP2 level have been performed to obtain information about the potential energy surface on which the reactive processes take place. The reactants' entrance channel leads to the formation of a stable [Li-n-C(3)H(7)Cl](+) ion-molecule adduct that, following an intrinsic-reaction-coordinate pathway and surmounting a transition state, isomerizes to [Li-i-C(3)H(7)Cl](+). From this second minimum, dehydrohalogenation reactions for both n-C(3)H(7)Cl and i-C(3)H(7)Cl share a common reaction pathway leading to the same products. All potential barriers explored by reactions always lie below the reactants' energy. The entrance reaction channel [Li-n-C(3)H(7)Cl](+) adduct also leads adiabatically to C(3)H(7)(+) formation which, on increasing collision energy generates C(2)H(3)(+)via a unimolecular decomposition. A qualitative interpretation of the experimental results based on our ab initio calculations is also given.

  12. Synthesis and Crystal Structure of Triacetyltribenzyl-Hexaazaisowurtzitane (TATBIW·0.5 H2O)

    Institute of Scientific and Technical Information of China (English)

    Wei Rong HAN; Yu Xiang OU; Jin Quan LIU; Jian Long WANG

    2004-01-01

    The compound of tetraacetyldibenzylhexaazaisowurtzitane (TADBIW) is an important precursor of synthesizing the high energetic dense compound of hexanitrohexaazaisowurtzitane (HNIW). We can obtain TADBIW by using hydrogenolysis of hexabenzylhexaazaisowurtzitane (HBIW). In the process of hydrogenolysis of HBIW, it will generate a variety of intermediates, one of them is the compound of triacetyltribenzylhexaazaisowurtzitane (TATBIW). We have synthesized the title compound and prepared its single crystal. In the paper, the crystal and molecular structure of TATBIW.0.5H2O is described. Its crystal belongs to the triclinie and space group P-1. The cell is comprised of two TATBIW and one water molecules. The success of synthesizing TATB1W can help us to research the mechanism of the reduction of HBIW and produce high yields of the end products.

  13. Impact of 5-h phase advance on sleep architecture and physical performance in athletes.

    Science.gov (United States)

    Petit, Elisabeth; Mougin, Fabienne; Bourdin, Hubert; Tio, Grégory; Haffen, Emmanuel

    2014-11-01

    Travel across time zones causes jet lag and is accompanied by deleterious effects on sleep and performance in athletes. These poor performances have been evaluated in field studies but not in laboratory conditions. The purpose of this study was to evaluate, in athletes, the impact of 5-h phase advance on the architecture of sleep and physical performances (Wingate test). In a sleep laboratory, 16 male athletes (age: 22.2 ± 1.7 years, height: 178.3 ± 5.6 cm, body mass: 73.6 ± 7.9 kg) spent 1 night in baseline condition and 2 nights, 1 week apart, in phase shift condition recorded by electroencephalography to calculate sleep architecture variables. For these last 2 nights, the clock was advanced by 5 h. Core body temperature rhythm was assessed continuously. The first night with phase advance decreased total sleep time, sleep efficiency, sleep onset latency, stage 2 of nonrapid eye movement (N2), and rapid eye movement (REM) sleep compared with baseline condition, whereas the second night decreased N2 and increased slow-wave sleep and REM, thus improving the quality of sleep. After phase advance, mean power improved, which resulted in higher lactatemia. Acrophase and bathyphase of temperature occurred earlier and amplitude decreased in phase advance but the period was not modified. These results suggest that a simulated phase shift contributed to the changes in sleep architecture, but did not significantly impair physical performances in relation with early phase adjustment of temperature to the new local time.

  14. Progress in the Formation of Carbon-Hetero Bond Based on 2(5H)-Furanones%基于2(5H)-呋喃酮的碳-杂成键反应研究进展

    Institute of Scientific and Technical Information of China (English)

    谭越河; 李建晓; 洪文坤; 汪朝阳

    2011-01-01

    2(5H)-呋喃酮结构单元广泛存在于天然产物中,同时许多2(5H)-呋喃酮类化合物也是重要的有机合成中间体.因此,基于常见2(5H)-呋喃酮(1)的有机合成研究近年来引起了人们的关注.根据在有机合成反应中成键方式的不同,综述了在2(5H)-呋喃酮(1)环上形成C-O,C-N,C-S,C-P,C-Se,C-Si等碳-杂键的反应研究进展.%Recently, the organic synthesis based on 2(5H)-furanones (1) has attracted much attention owing to the unique carbon skeleton of 2(5H)-furanone which is widely present in a variety of natural products and their utility as valuable synthetic intermediates.Classified as different bond kinds, the progress in the formation reactions of carbon-oxygen bond, carbon-nitrogen bond, carbon-sulfur bond, carbon-phosphorus bond, carbon-selenium bond and carbon-silicon bond on 2(5H)-furanone ring is reviewed.

  15. Characterization of (/sup 3/H)pirenzepine binding to muscarinic cholinergic receptors solubilized from rat brain

    Energy Technology Data Exchange (ETDEWEB)

    Luthin, G.R.; Wolfe, B.B.

    1985-07-01

    Membranes prepared from rat cerebral cortex were solubilized in buffer containing 1% digitonin. Material present in the supernatant after centrifugation at 147,000 X g was shown to contain binding sites for both (/sup 3/H)quinuclidinyl benzilate ((/sup 3/H)QNB) and (/sup 3/H)pirenzepine ((/sup 3/H)PZ). Recovery of binding sites was approximately 25% of the initial membrane-bound (/sup 3/H)QNB binding sites. The Kd values for (/sup 3/H)QNB and (/sup 3/H)PZ binding to solubilized receptors were 0.3 nM and 0.1 microM, respectively. As has been observed previously in membrane preparations, (/sup 3/H)PZ appeared to label fewer solubilized binding sites than did (/sup 3/H)QNB. Maximum binding values for (/sup 3/H)PZ and (/sup 3/H)QNB binding to solubilized receptors were approximately 400 and 950 fmol/mg of protein, respectively. Competition curves for PZ inhibiting the binding of (/sup 3/H)QNB, however, had Hill slopes of 1, with a Ki value of 0.24 microM. The k1 and k-1 for (/sup 3/H)PZ binding were 3.5 X 10(6) M-1 min-1 and 0.13 min-1, respectively. The muscarinic receptor antagonists atropine, scopolamine and PZ inhibited the binding of (/sup 3/H)QNB and (/sup 3/H)PZ to solubilized receptors with Hill slopes of 1, as did the muscarinic receptor agonist oxotremorine. The muscarinic receptor agonist carbachol competed for (/sup 3/H)QNB and (/sup 3/H)PZ binding with a Hill slope of less than 1 in cerebral cortex, but not in cerebellum. GTP did not alter the interactions of carbachol or oxotremorine with the solubilized receptor. Together, these data suggest that muscarinic receptor sites solubilized from rat brain retain their abilities to interact selectively with muscarinic receptor agonists and antagonists.

  16. Hydrogenation and Deuteration of C2H2 and C2H4 on Cold Grains: A Clue to the Formation Mechanism of C2H6 with Astronomical Interest

    Science.gov (United States)

    Kobayashi, Hitomi; Hidaka, Hiroshi; Lamberts, Thanja; Hama, Tetsuya; Kawakita, Hideyo; Kästner, Johannes; Watanabe, Naoki

    2017-03-01

    We quantitatively investigated the hydrogen addition reactions of acetylene (C2H2) and ethylene (C2H4) on amorphous solid water (ASW) at 10 and 20 K relevant to the formation of ethane (C2H6) on interstellar icy grains. We found that the ASW surface enhances the reaction rates for C2H2 and C2H4 by approximately a factor of 2 compared to those on the pure-solid C2H2 and C2H4 at 10 K, probably due to an increase in the sticking coefficient and adsorption energy of the H atoms on ASW. In contrast to the previous proposal that the hydrogenation rate of C2H4 is orders of magnitude larger than that of C2H2, the present results show that the difference in hydrogenation rates of C2H2 and C2H4 is only within a factor of 3 on both the surfaces of pure solids and ASW. In addition, we found the small kinetic isotope effect for hydrogenation/deuteration of C2H2 and C2H4 at 10 K, despite the requirement of quantum tunneling. At 20 K, the reaction rate of deuteration becomes even larger than that of hydrogenation. These unusual isotope effects might originate from a slightly larger number density of D atoms than H atoms on ASW at 20 K. The hydrogenation of C2H2 is four times faster than CO hydrogenation and can produce C2H6 efficiently through C2H4 even in the environment of a dark molecular cloud.

  17. Menthyl 2-oxo-2H-chromene-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Cui-Lian Xu

    2009-10-01

    Full Text Available The title compound, C20H24O4, was synthesized from the reaction of 2-oxo-2H-chromene-3-acyl chloride and menthol. The mean plane of the ester group and that of the four essentially planar (maximum deviation 0.0112 Å C atoms of the chair-form cyclohexyl ring form dihedral angles of 43.8 (3 ° and 81.8 (1°, respectively, with the mean plane of the coumarin ring system. In the crystal structure, weak intermolecular C—H...O hydrogen bonds connect the molecules into a two-dimensional network.

  18. Multiobjective H2/H? Control Design with Regional Pole Constraints

    Directory of Open Access Journals (Sweden)

    Junaidi Junaidi

    2012-03-01

    Full Text Available This paper presents multiobjective H2/H? control design with regional pole constraints. The state feedback gain can be obtained by solving a linear matrix inequality (LMI feasibility problem that robustly assigns the closed-loop poles in a prescribed LMI region. The proposed technique is illustrated with applications to the design of stabilizer for a typical single-machine infinite-bus (SMIB power system. The LMI-based control ensures adequate damping for widely varying system operating conditions. The simulation results illustrate the effectiveness and robustness of the proposed stabilizer.

  19. Role of 2p-2h MEC excitations in superscaling

    Energy Technology Data Exchange (ETDEWEB)

    De Pace, A. E-mail: depace@to.infn.it; Nardi, M.; Alberico, W.M.; Donnelly, T.W.; Molinari, A

    2004-09-06

    Following recent studies of inclusive electron scattering from nuclei at high energies which focused on two-nucleon emission mediated by meson-exchange currents, in this work the superscaling behavior of such contributions is investigated. Comparisons are made with existing data below the quasielastic peak where at high momentum transfers scaling of the second kind is known to be excellent and scaling of the first kind is good, in the proximity of the peak where both 1p-1h and 2p-2h contributions come into play, and above the peak where inelasticity becomes important and one finds scaling violations of the two kinds.

  20. 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.

  1. Highly Enantioselective Construction of Tertiary Thioethers and Alcohols via Phosphine-Catalyzed Asymmetric γ-Addition reactions of 5H-Thiazol-4-ones and 5H-Oxazol-4-ones: Scope and Mechanistic Understandings

    KAUST Repository

    Wang, Tianli

    2015-06-02

    Phosphine-catalyzed highly enantioselective γ-additions of 5H-thiazol-4-ones and 5H-oxazol-4-ones to allenoates have been developed for the first time. With the employment of amino-acid derived bifunctional phosphines, a wide range of substituted 5H-thiazol-4-one and 5H-oxazol-4-one derivatives bearing heteroarom (S or O)-containing tertiary chiral centers were constructed in high yields and excellent enantioselectivities. The reported method provides a facile access to enantioenriched tertiary thioether/alcohols. The mechanism of γ-addition reaction was investigated by performing DFT calculations, and the hydrogen bonding interactions between the Brønsted acid moiety of the phosphine catalysts and the “C=O” unit of donor molecules were shown to be crucial in asymmetric induction.

  2. The histone chaperone Vps75 forms multiple oligomeric assemblies capable of mediating exchange between histone H3-H4 tetramers and Asf1-H3-H4 complexes

    DEFF Research Database (Denmark)

    Hammond, Colin M; Sundaramoorthy, Ramasubramanian; Larance, Mark

    2016-01-01

    Vps75 is a histone chaperone that has been historically characterized as homodimer by X-ray crystallography. In this study, we present a crystal structure containing two related tetrameric forms of Vps75 within the crystal lattice. We show Vps75 associates with histones in multiple oligomers...... catalysed histone H3 K9 acetylation. In the absence of Asf1 this model can be used to generate a complex consisting of a reconfigured Vps75 tetramer bound to a H3-H4 tetramer. This provides a structural explanation for many of the complexes detected biochemically and illustrates the ability of Vps75....... In the presence of equimolar H3-H4 and Vps75, the major species is a reconfigured Vps75 tetramer bound to a histone H3-H4 tetramer. However, in the presence of excess histones, a Vps75 dimer bound to a histone H3-H4 tetramer predominates. We show the Vps75-H3-H4 interaction is compatible with the histone...

  3. 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.

  4. The Structural Interface between HIV-1 Vif and Human APOBEC3H.

    Science.gov (United States)

    Ooms, Marcel; Letko, Michael; Simon, Viviana

    2017-03-01

    Human APOBEC3H (A3H) is a cytidine deaminase that inhibits HIV-1 replication. To evade this restriction, the HIV-1 Vif protein binds A3H and mediates its proteasomal degradation. To date, little information on the Vif-A3H interface has been available. To decipher how both proteins interact, we first mapped the Vif-binding site on A3H by functionally testing a large set of A3H mutants in single-cycle infectivity and replication assays. Our data show that the two A3H α-helixes α3 and α4 represent the Vif-binding site of A3H. We next used viral adaptation and a set of Vif mutants to identify novel, reciprocal Vif variants that rescued viral infectivity in the presence of two Vif-resistant A3H mutants. These A3H-Vif interaction points were used to generate the first A3H-Vif structure model, which revealed that the A3H helixes α3 and α4 interact with the Vif β-sheet (β2-β5). This model is in good agreement with previously reported Vif and A3H amino acids important for interaction. Based on the predicted A3H-Vif interface, we tested additional points of contact, which validated our model. Moreover, these experiments showed that the A3H and A3G binding sites on HIV-1 Vif are largely distinct, with both host proteins interacting with Vif β-strand 2. Taken together, this virus-host interface model explains previously reported data and will help to identify novel drug targets to combat HIV-1 infection.IMPORTANCE HIV-1 needs to overcome several intracellular restriction factors in order to replicate efficiently. The human APOBEC3 locus encodes seven proteins, of which A3D, A3F, A3G, and A3H restrict HIV-1. HIV encodes the Vif protein, which binds to the APOBEC3 proteins and leads to their proteasomal degradation. No HIV-1 Vif-APOBEC3 costructure exists to date despite extensive research. We and others previously generated HIV-1 Vif costructure models with A3G and A3F by mapping specific contact points between both proteins. Here, we applied a similar approach to HIV

  5. 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

  6. 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

  7. 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 ...

  8. Morphine enhances the release of /sup 3/H-purines from rat brain cerebral cortical prisms

    Energy Technology Data Exchange (ETDEWEB)

    Wu, P.H.; Phillis, J.W.; Yuen, H.

    1982-10-01

    In vitro experiments have shown that /sup 3/H-purines can be released from /sup 3/H-adenosine preloaded rat brain cortical prisms by a KCl-evoked depolarization. The KCl-evoked release of /sup 3/H-purines is dependent on the concentration of KCl present in the superfusate. At concentrations of 10(-7) approximately 10(-5)M morphine did not influence the basal release of /sup 3/H-purines from the prisms, although it enhanced the KCl-evoked release of /sup 3/H-purines. The enhancement of KCl-evoked /sup 3/H-purine release by morphine was concentration-dependent and was antagonized by naloxone, suggesting the involvement of opiate receptors. Uptake studies with rat brain cerebral cortical synaptosomes show that morphine is a very weak inhibitor of adenosine uptake. Comparisons with dipyridamole, a potent inhibitor of adenosine uptake, suggest that this low level of inhibition of the uptake did not contribute significantly to the release of /sup 3/H-purine by morphine seen in our experiments. It is therefore suggested that morphine enhances KCl-evoked /sup 3/H-purine release by an interaction with opiate receptors and that the resultant increase in extracellular purine (adenosine) levels may account for some of the actions of morphine.

  9. Nuclear accident-derived (3)H in river water of Fukushima Prefecture during 2011-2014.

    Science.gov (United States)

    Ueda, Shinji; Hasegawa, Hidenao; Kakiuchi, Hideki; Ochiai, Shinya; Akata, Naofumi; Hisamatsu, Shun'ichi

    2015-08-01

    During 2011-2014, we measured (3)H concentrations in river water samples collected during base flow conditions and during several flood events from two small rivers in a mountainous area in Fukushima Prefecture, which received deposition of (137)Cs from the Fukushima Dai-ichi Nuclear Power Plant accident. (3)H concentrations above background levels were found in water samples collected during both base flow conditions and flood events in 2011. The (3)H concentrations during flood events were generally higher than those during base flow conditions. The (3)H concentrations in both rivers during base flow conditions and flood events decreased with time after the accident and reached almost background levels in 2013. We also measured (3)H concentrations in freshwater samples from 16 other rivers and one dam in eastern Fukushima Prefecture from 2012 to 2014 during base flow conditions. The measured (3)H concentrations were higher than the background level in 2012 and decreased with time. The (137)Cs inventory in the catchment area at each sampling point was estimated from air-borne monitoring results in the literature and compared with the (3)H concentrations. We found surprisingly good correlations between (137)Cs inventories in the catchment areas and (3)H concentrations in the water samples. Further studies will be necessary to clarify the reason for the good correlation.

  10. Effect of hydroxyurea on mitotic activity 3H-thymidine and 3H-phenylalanine incorporation in the antheridial filament cells of Chara vulgaris

    Directory of Open Access Journals (Sweden)

    Anastazja Bilecka

    2015-01-01

    Full Text Available Hydroxyurea inhibits mitotic activity in cells of the antheridial filaments of Chara vulgaris by blocking phase S and phase G2. Blocking of cells in phase G2 also occurs in the case of the root meristem cells of Helianthus annuus and Vicia faba var. minor. 3H-thymidine incorporation confirmed autoradiographically the blocking of cells of the antheridial filaments in Chara vulgaris at phase S and slowing down of the rate of DNA replication. Incubation with 3H-phenylalanine demonstrated that hydroxyurea inhibits protein synthesis.

  11. A combined crossed beam and theoretical investigation of O(3P)+C3H3→C3H2+OH

    Science.gov (United States)

    Lee, Hohjai; Joo, Sun-Kyu; Kwon, Lee-Kyoung; Choi, Jong-Ho

    2004-02-01

    The radical-radical reaction dynamics of ground-state atomic oxygen [O(3P)] with propargyl radicals (C3H3) has first been investigated in a crossed beam configuration. The radical reactants O(3P) and C3H3 were produced by the photodissociation of NO2 and the supersonic flash pyrolysis of precursor propargyl bromide, respectively. A new exothermic channel of O(3P)+C3H3→C3H2+OH was identified and the nascent distributions of the product OH in the ground vibrational state (X 2Π:ν″=0) showed bimodal rotational excitations composed of the low- and high-N″ components without spin-orbit propensities. The averaged ratios of Π(A')/Π(A″) were determined to be 0.60±0.28. With the aid of ab initio theory it is predicted that on the lowest doublet potential energy surface, the reaction proceeds via the addition complexes formed through the barrierless addition of O(3P) to C3H3. The common direct abstraction pathway through a collinear geometry does not occur due to the high entrance barrier in our low collision energy regime. In addition, the major reaction channel is calculated to be the formation of propynal (CHCCHO)+H, and the counterpart C3H2 of the probed OH product in the title reaction is cyclopropenylidene (1c-C3H2) after considering the factors of barrier height, reaction enthalpy and structural features of the intermediates formed along the reaction coordinate. On the basis of the statistical prior and rotational surprisal analyses, the ratio of population partitioning for the low- and high-N″ is found to be about 1:2, and the reaction is described in terms of two competing addition-complex mechanisms: a major short-lived dynamic complex and a minor long-lived statistical complex. The observed unusual reaction mechanism stands in sharp contrast with the reaction of O(3P) with allyl radical (C3H5), a second significant conjugated hydrocarbon radical, which shows totally dynamic processes [J. Chem. Phys. 117, 2017 (2002)], and should be understood based

  12. Synthesis and evaluation of atropos dihydro-5H-dibenzazepinium halide PTCs derived from α-methylbenzylamine.

    Science.gov (United States)

    Lygo, Barry; Butt, Umar; Cormack, Maria

    2012-07-07

    A short synthetic route to diastereoisomeric atropos dihydro-5H-dibenz[c,e]azepinium salts via reaction of a single enantiomer of (R)-α-methylbenzylamine with a racemic atropos biphenol derivative is described. Compounds prepared via this approach are used to provide strong evidence that structurally related tropos dihydro-5H-dibenz[c,e]azepinium salts preferentially react via a single conformation in PTC reactions involving glycine imine enolates.

  13. Physical and spectroscopic properties of pure C2H4 and CH4:C2H4 ices

    Science.gov (United States)

    Molpeceres, Germán; Satorre, Miguel Angel; Ortigoso, Juan; Zanchet, Alexandre; Luna, Ramón; Millán, Carlos; Escribano, Rafael; Tanarro, Isabel; Herrero, Víctor J.; Maté, Belén

    2017-04-01

    Physical and spectroscopic properties of ices of C2H4 and CH4:C2H4 mixtures with 3:1, 1:1 and 1:3 ratios have been investigated at 30 K. Two laboratories are involved in this work. In one of them, the density and refractive index of the samples have been measured by using a cryogenic quartz microbalance and laser interferometric techniques. In the other one, IR spectra have been recorded in the near- and mid-infrared regions, and band shifts with respect to the pure species, band strengths of the main bands, and the optical constants in both regions have been determined. Previous data on ethylene and the mixtures studied here were scarce. For methane, both the wavenumbers and band strengths have been found to follow a regular pattern of decrease with increasing dilution, but no pattern has been detected for ethylene vibrations. The method employed for the preparation of the samples, by vapour deposition under vacuum, is thought to be adequate to mimic the structure of astrophysical ices. Possible astrophysical implications, especially by means of the optical constants reported here, have been discussed.

  14. Meridional Distribution of CH3C2H and C4H2 in Saturn's Stratosphere from CIRS/Cassini Limb and Nadir Observations

    Science.gov (United States)

    Guerlet, Sandrine; Fouchet, Thierry; Bezard, Bruno; Moses, Julianne I.; Fletcher, Leigh N.; Simon-Miller, Amy A.; Flasar, F. Michael

    2010-01-01

    Limb and nadir spectra acquired by Cassini/CIRS (Composite InfraRed Spectrometer) are analyzed in order to derive, for the first time, the meridional variations of diacetylene (C4H2) and methylacetylene (CH3C2H) mixing ratios in Saturn's stratosphere, from 5 hPa up to 0.05 hPa and 80 deg S to 45 deg N. We find that the C4H2 and CH3C2H meridional distributions mimic that of acetylene (C2H2), exhibiting small-scale variations that are not present in photochemical model predictions. The most striking feature of the meridional distribution of both molecules is an asymmetry between mid-southern and mid-northern latitudes. The mid-southern latitudes are found depleted in hydrocarbons relative to their northern counterparts. In contrast, photochemical models predict similar abundances at north and south mid-latitudes. We favor a dynamical explanation for this asymmetry, with upwelling in the south and downwelling in the north, the latter coinciding with the region undergoing ring shadowing. The depletion in hydrocarbons at mid-southern latitudes could also result from chemical reactions with oxygen-bearing molecules. Poleward of 60 deg S, at 0.1 and 0.05 hPa, we find that the CH3C2H and C4H2 abundances increase dramatically. This behavior is in sharp contradiction with photochemical model predictions, which exhibit a strong decrease towards the south pole. Several processes could explain our observations, such as subsidence, a large vertical eddy diffusion coefficient at high altitudes, auroral chemistry that enhances CH3C2H and C4H2 production, or shielding from photolysis by aerosols or molecules produced from auroral chemistry. However, problems remain with all these hypotheses, including the lack of similar behavior at lower altitudes. Our derived mean mixing ratios at 0.5 hPa of (2.4 +/- 0.3) 10(exp -10) for C4H2 and of (1.1 +/- 0.3) 10(exp -9) for CH3C2H are compatible with the analysis of global-average ISO observations performed by Moses et al. Finally, we provide

  15. Vibrational and Rotational Spectroscopy of CD_2H^+

    Science.gov (United States)

    Asvany, Oskar; Jusko, Pavol; Brünken, Sandra; Schlemmer, Stephan

    2016-06-01

    The lowest rotational levels (J=0-5) of the CD_2H^+ ground state have been probed by high-resolution rovibrational and pure rotational spectroscopy in a cryogenic 22-pole ion trap. For this, the ν_1 rovibrational band has been revisited, detecting 107 transitions, among which 35 are new. The use of a frequency comb system allowed to measure the rovibrational transitions with high precision and accuracy, typically better than 1 MHz. The high precision has been confirmed by comparing combination differences in the ground and vibrationally excited state. For the ground state, this allowed for equally precise predictions of pure rotational transitions, 24 of which have been measured directly by a novel IR - mm-wave double resonance method. M.-F. Jagod et al, J. Molec. Spectrosc. 153, 666, 1992 S. Gartner et al, J. Phys. Chem. A 117, 9975, 2013

  16. 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.

  17. 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.

  18. 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

  19. Study of morphology of aerosol aggregates formed during co-pyrolysis of C3H8 + Fe(CO)5

    Science.gov (United States)

    Ivanova, N. A.; Onischuk, A. A.; di Stasio, S.; Baklanov, A. M.; Makhov, G. A.

    2007-04-01

    Formation of aerosol nanoparticles as well as carbon nanotubes and nanofilaments is studied during co-pyrolysis of iron pentacarbonyl and propane with argon as a carrier gas in a flow reactor. Gaseous intermediates from propane thermal decomposition (CH4, C2H6 and C3H4) and Fe(CO)5 conversion are monitored by gas chromatography and IR-spectroscopy, respectively. The aerosol morphology is studied by transmission electron microscopy (TEM) and high resolution TEM. The aerosol particle concentration and size distribution are measured by an automated diffusion battery. The crystal phase composition of particles is studied by x-ray diffractometry. The decomposition of the Fe(CO)5 + Ar mixture resulted in an iron aggregate formation composed of fine primary particles. In the case of lower pyrolysis temperatures, about 450 K, the primary particle mean diameter is about 10 nm, and consequently, the majority of the primary particles are superparamagnetic, thus forming compact aggregates. At intermediate pyrolysis temperatures in the range 800-1040 K the primary particle diameter is about 20-30 nm, and most of the particles are ferromagnetic in nature. The coagulation of these particles results in a chain-like aggregate formation. Finally, at temperatures higher than the Curie point (1043 K) the ferromagnetic properties vanish and the formation of compact aggregates is observed again. The co-pyrolysis of Fe(CO)5 and C3H8 mixed with Ar carrier gas resulted in aerosol aggregate structures dramatically different from those formed by iron pentacarbonyl pyrolysis. In particular, in the temperature range 1070-1280 K, we observed Fe3C particles connected by long carbon nanotubes (CNTs). The aggregate morphology is described in terms of a fractal-like dimension Df, which is determined from TEM images on the basis of a scaling power law linking the aggregate mass (M) and radius (R), M{\\sim}R^{D_f} . The Fe3C-CNT aggregate morphology is a function of the inlet ratio between propane

  20. Analysis of several high-resolution infrared bands of spiropentane, C5H8

    Energy Technology Data Exchange (ETDEWEB)

    Maki, Arthur G.; Price, Joseph E.; Harzan, J.; Nibler, Joseph W.; Weber, Alfons; Masiello, Tony; Blake, Thomas A.

    2015-06-01

    he high-resolution infrared absorption spectrum of spiropentane (C5H8) has been measured from 200 to 4000 cm 1, and a detailed analysis is presented for eight bands in the region from 700 to 2200 cm 1. Two fundamental perpendicular bands were analyzed, m22 and m24 near 1050 and 780 cm 1, respectively, along with two fundamental parallel bands, m14 and m16 near 1540 and 990 cm1, respectively. Two other fundamentals, m17 and m23, are seen as intense overlapping bands near 880 cm*1 and are Coriolis-coupled, producing a complex mixture in which only P-branch transitions could be tentatively assigned for m17. In addition, three binary combination bands were fit at about 1570, 2082, and 2098 cm*1 which are assigned as either 2m24 or m5 + m16 in the first case, m4 + m22 in the second case, and 2m22 in the latter case. The two l-type resonance constants, q+ and q*, were determined for each of the two perpendicular fundamentals m22 and m24. Those two constants were also responsible for splittings observed in the K = 3 levels of m24. For the ground state the order of the split K = 2 B1/B2 levels has been reversed from that reported previously, based on the measurements and assignments for the m24 band. Rovibrational parameters deduced from the analyses are compared with those obtained from density functional Gaussian calculations at the anharmonic level.

  1. 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.

  2. Anomalous absorption in c-C_3H and c-C_3D radicals

    Science.gov (United States)

    Chandra, S.; Shinde, S. V.; Kegel, W. H.; Sedlmayr, E.

    Yamamoto et al. (1987) reported the first detection of the c-C_3H radical in TMC-1 through its transition 2_1 2 rightarrow 1_1 1 at 91.5 GHz. The column density of c-C_3H in TMC-1 was estimated to be 6 times 10^12 cm^-2, which is about one order of magnitude lower than that of the c-C_3H_2 which is ubiquitous in galactic objects. Mangum & Wootten (1990) detected c-C_3H through the transition 1_1 0 rightarrow 1_1 1 at 14.8 GHz in 12 additional galactic objects. The most probable production mechanism of both the c-C_3H and c-C_3H_2 in dark clouds is a common dissociation reaction of the C_3H_3^+ ion (Adams & Smith 1987). Although the c-C_3H is 0.8 eV less stable than its isomer l-C_3H, finding of comparable column densities of both the isomers in TMC-1 suggests that the formation rate for both, c-C_3H and l-C_3H, are of about the same order in the cosmic objects. The existence of a metastable isomer under interstellar conditions is a well known phenomenon in astronomy. The aim of this investigation is a quantitative estimate of relative line intensities under NLTE conditions. For wide ranges of physical parameters, where these molecules may be found, we have solved a set of statistical equilibrium equations coupled with the equations of radiative transfer in an on-the-spot approximation. For c-C_3H, we accounted for 51 energy levels connected by 207 radiative transitions and for c-C_3D, we accounted for 51 energy levels connected by 205 radiative transitions. Our results show that the 3_3 1 rightarrow 3_3 0 transition of c-C_3H and c-C_3D may be found in absorption against the cosmic microwave background (CMB). Furthermore, we found population inversion for the 1_1 0 rightarrow 1_1 1 transition. These findings may be useful in identifying these molecules in other cosmic objects, as well as for the determination of physical parameters in these objects.

  3. A validation of the 3H/3He method for determining groundwater recharge

    Science.gov (United States)

    Solomon, D. K.; Schiff, S. L.; Poreda, R. J.; Clarke, W. B.

    1993-09-01

    Tritium and He isotopes have been measured at a site where groundwater flow is nearly vertical for a travel time of 100 years and where recharge rates are spatially variable. Because the mid-1960s 3H peak (arising from aboveground testing of thermonuclear devices) is well-defined, the vertical groundwater velocity is known with unusual accuracy at this site. Utilizing 3H and its stable daughter 3He to determine groundwater ages, we compute a recharge rate of 0.16 m/yr, which agrees to within about 5% of the value based on the depth of the 3H peak (measured both in 1986 and 1991) and two-dimensional modeling in an area of high recharge. Zero 3H/3He age occurs at a depth that is approximately equal to the average depth of the annual low water table, even though the capillary fringe extends to land surface during most of the year at the study site. In an area of low recharge (0.05 m/yr) where the 3H peak (and hence the vertical velocity) is also well-defined, the 3H/3He results could not be used to compute recharge because samples were not collected sufficiently far above the 3H peak; however, modeling indicates that the 3H/3He age gradient near the water table is an accurate measure of vertical velocities in the low-recharge area. Because 3H and 3He have different diffusion coefficients, and because the amount of mechanical mixing is different in the area of high recharge than in the low-recharge area, we have separated the dispersive effects of mechanical mixing from molecular diffusion. We estimate a longitudinal dispersivity of 0.07 m and effective diffusion coefficients for 3H (3HHO) and 3He of 2.4×10-5 and 1.3×10-4 m2/day, respectively. Although the 3H/3He age gradient is an excellent indicator of vertical groundwater velocities above the mid-1960s 3H peak, dispersive mixing and diffusive loss of 3He perturb the age gradient near and below the 3H peak.

  4. 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.

  5. The structure of C5H 5RFe (+) (R = F, Cl, Br, I, O, OH, OCH3, C 6H 5, H) ions in the gas phase and the generation of their neutral counterparts by neutralization-reionization mass spectrometry.

    Science.gov (United States)

    Zagorevskii, D V; Holmes, J L; Zverev, D V; Orlova, T Y; Nekrasov, Y S

    1995-12-01

    The structure of C5H5FeR(+·) ions was studied by tandem mass spectromerry that included the neutralization-reionization (NR) method. Halogen-containing species (R = F, Cl, Br, I) showed fragmentation that was consistent with a structure that has the cyclopentadienyl ring and R as separate ligands at the metal atom (structure A). This structure also was identified for C5H5FeO(+) and CpFeOH(+·) ions, but these species also easily isomerized to metal-cyclopentadiene structure, RC5H5Fe(+·) (B), followed by hydrogen rearrangement(s) and CO loss. B was the dominant structure of C5H5FeH(+·) and C5H5FeC6H 5 (+·) ions. All ions that have structure A showed recovery signals in their NR mass spectra that indicated that their stable neutral counterparts were generated. The NR mass spectra also provided complementary information about the structure of ions before neutralization and after reionization.

  6. 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.

  7. [3H]ATPA: a high affinity ligand for GluR5 kainate receptors.

    Science.gov (United States)

    Hoo, K; Legutko, B; Rizkalla, G; Deverill, M; Hawes, C R; Ellis, G J; Stensbol, T B; Krogsgaard-Larsen, P; Skolnick, P; Bleakman, D

    1999-12-01

    The pharmacological properties of [3H]ATPA ((RS)-2-amino-3(3-hydroxy-5-tert-butylisoxazol-4-yl)propanoic acid) are described. ATPA is a tert-butyl analogue of AMPA (alpha-amino-3-hydroxy-5-methyl-4-isoxazoleproprionic acid) that has been shown to possess high affinity for the GluR5 subunit of kainate receptors. [3H]ATPA exhibits saturable, high affinity binding to membranes expressing human GluR5 (GluR5) kainate receptors (Kd approximately 13 nM). No specific binding was observed in membranes expressing GluR2 and GluR6 receptors. Several compounds known to interact with the GluR5 kainate receptor inhibited [3H]ATPA binding with potencies similar to those obtained for competition of [3H]kainate binding to GluR5. Saturable, high affinity [3H]ATPA binding (Kd approximately 4 nM) was also observed in DRG neuron (DRG) membranes isolated from neonatal rats. The rank order potency of compounds to inhibit [3H]ATPA binding in rat DRG and GluR5 membranes were in agreement. These finding demonstrate that [3H]ATPA can be used as a radioligand to examine the pharmacological properties of GluR5 containing kainate receptors.

  8. High affinity binding of (/sup 3/H)cocaine to rat liver microsomes

    Energy Technology Data Exchange (ETDEWEB)

    El-Maghrabi, E.A.; Calligaro, D.O.; Eldefrawi, M.E.

    1988-01-01

    )/sup 3/H)cocaine bound reversible, with high affinity and stereospecificity to rat liver microsomes. Little binding was detected in the lysosomal, mitochondrial and nuclear fractions. The binding kinetics were slow and the kinetically calculated K/sub D/ was 2 nM. Induction of mixed function oxidases by phenobarbital did not produce significant change in (/sup 3/H)cocaine binding. On the other hand, chronic administration of cocaine reduced (/sup 3/H)cocaine binding drastically. Neither treatment affected the affinity of the liver binding protein for cocaine. Microsomes from mouse and human livers had less cocaine-binding protein and lower affinity for cocaine than those from rat liver. Binding of (/sup 3/H)cocaine to rat liver microsomes was insensitive to monovalent cations and > 10 fold less sensitive to biogenic amines than the cocaine receptor in rat striatum. However, the liver protein had higher affinity for cocaine and metabolites except for norcocaine. Amine uptake inhibitors displaced (/sup 3/H)cocaine binding to liver with a different rank order of potency than their displacement of (/sup 3/H)cocaine binding to striatum. This high affinity (/sup 3/H)cocaine binding protein in liver is not likely to be monooxygenase, but may have a role in cocaine-induced hepatotoxicity

  9. ( sup 3 H)cytisine binding to nicotinic cholinergic receptors in brain

    Energy Technology Data Exchange (ETDEWEB)

    Pabreza, L.A.; Dhawan, S.; Kellar, K.J. (Georgetown Univ. School of Medicine, Washington, DC (USA))

    1991-01-01

    Cytisine, a ganglionic agonist, competes with high affinity for brain nicotinic cholinergic receptors labeled by any of several nicotinic {sup 3}H-agonist ligands. Here we have examined the binding of ({sup 3}H)cytisine in rat brain homogenates. ({sup 3}H)Cytisine binds with high affinity (Kd less than 1 nM), and specific binding represented 60-90% of total binding at all concentrations examined up to 15 nM. The nicotinic cholinergic agonists nicotine, acetylcholine, and carbachol compete with high affinity for ({sup 3}H)cytisine binding sites, whereas among nicotinic receptor antagonists only dihydro-beta-erythroidine competes with high affinity (in the nanomolar range). Comparison of binding in several brain regions showed that ({sup 3}H)cytisine binding is higher in the thalamus, striatum, and cortex than in the hippocampus, cerebellum, or hypothalamus. The pharmacology and brain regional distribution of ({sup 3}H)cytisine binding sites are those predicted for neuronal nicotinic receptor agonist recognition sites. The high affinity and low nonspecific binding of ({sup 3}H)cytisine should make it a very useful ligand for studying neuronal nicotinic receptors.

  10. [3H]WIN 35,065-2: a ligand for cocaine receptors in striatum.

    Science.gov (United States)

    Ritz, M C; Boja, J W; Grigoriadis, D; Zaczek, R; Carroll, F I; Lewis, A H; Kuhar, M J

    1990-11-01

    [3H]WIN 35,065-2 binding to striatal membranes was characterized, primarily by centrifugation assay. Like [3H]cocaine, [3H]WIN 35,065-2 binds to both high- and low-affinity sites. [3H]WIN 35,065-2, however, exhibits consistently higher affinities than [3H]cocaine. Saturation experiments indicate a low-affinity binding site with an apparent KD of approximately 160 nM and a Bmax of 135 fmol/mg of tissue. A high-affinity site has also been identified with an apparent KD of 5.6 nM and a Bmax of 5.2 fmol/mg of tissue. The specific-to-nonspecific binding ratios with [3H]WIN 35,065-2 were higher than with [3H]cocaine in both centrifugation and filtration assays. Pharmacological characterization suggests that [3H]WIN 35,065-2 binds to the dopamine transporter. Mazindol, GBR 12909, nomifensine, and (-)-cocaine are potent inhibitors of [3H]WIN 35,065-2 binding. In contrast, the norepinephrine transporter ligand desipramine is a weak inhibitor, and the serotonin transporter ligand citalopram does not inhibit binding. The effect of sodium on binding was examined under conditions in which (a) the low-affinity site was primarily (87%) occupied and (b) approximately 50% of both sites were occupied. The results indicate that both sites are sodium dependent. Injection of 6-hydroxydopamine into the striatum results in a significant loss of both high- and low-affinity sites, a finding suggesting that both sites are on dopaminergic nerve terminals. Taken together, these data are consistent with the presence of multiple cocaine binding sites associated with the dopamine transporter.

  11. Increased binding of [3H]GABA to striatal membranes following ischemia.

    Science.gov (United States)

    Francis, A; Pulsinelli, W

    1983-05-01

    Sodium-independent binding of [3H]gamma-aminobutyric acid ([3H]GABA) to membranes prepared from ischemic-damaged rat striatum was studied by kinetic and time-course analysis. Three days after 40 min of ischemia, [3H]GABA binding increased fourfold over control values. Scatchard analysis of the binding showed that ischemia significantly increased the affinity (KD) and the total number of binding sites (Bmax) for the high-affinity GABA receptor. These results support the conclusion that transient forebrain ischemia damages striatal GABAergic neurons.

  12. 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).

  13. Heat of Mixing and Solution of Diethyl carbonate C5H10O3 + C5H12O3 3,6-Dioxaheptan-1-ol (HMSD1111, LB4211_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 Diethyl carbonate C5H10O3 + C5H12O3 3,6-Dioxaheptan-1-ol (HMSD1111, LB4211_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  14. On the Formation of the C2H6O Isomers Ethanol (C2H5OH) and Dimethyl Ether (CH3OCH3) in Star-forming Regions

    Science.gov (United States)

    Bergantini, Alexandre; Maksyutenko, Pavlo; Kaiser, Ralf I.

    2017-06-01

    The structural isomers ethanol (CH3CH2OH) and dimethyl ether (CH3OCH3) were detected in several low-, intermediate-, and high-mass star-forming regions, including Sgr B2, Orion, and W33A, with the relative abundance ratios of ethanol/dimethyl ether varying from about 0.03 to 3.4. Until now, no experimental data regarding the formation mechanisms and branching ratios of these two species in laboratory simulation experiments could be provided. Here, we exploit tunable photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS) to detect and analyze the production of complex organic molecules (COMs) resulting from the exposure of water/methane (H2O/CH4) ices to energetic electrons. The main goal is to understand the formation mechanisms in star-forming regions of two C2H6O isomers: ethanol (CH3CH2OH) and dimethyl ether (CH3OCH3). The results show that the experimental branching ratios favor the synthesis of ethanol versus dimethyl ether (31 ± 11:1). This finding diverges from the abundances observed toward most star-forming regions, suggesting that production routes on interstellar grains to form dimethyl ether might be missing; alternatively, ethanol can be overproduced in the present simulation experiments, such as via radical-radical recombination pathways involving ethyl and hydroxyl radicals. Finally, the PI-ReTOF-MS data suggest the formation of methylacetylene (C3H4), ketene (CH2CO), propene (C3H6), vinyl alcohol (CH2CHOH), acetaldehyde (CH3CHO), and methyl hydroperoxide (CH3OOH), in addition to ethane (C2H6), methanol (CH3OH), and CO2 detected from infrared spectroscopy. The yield of all the confirmed species is also determined.

  15. [Preparation of Di3H(9,10)-hydroergot Alkaloids (author's transl)].

    Science.gov (United States)

    Riedel, E; Roetz, R; Nündel, M

    1978-01-01

    In katalytic hydrogenation of native ergot alkaloids with tritium a specific addition of 3H in 9,10 position of the molecules results. The most favourable technique is described in detail on the example of ergotamine/dihydroergotamine.

  16. 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.

  17. Alpha 2 adrenergic receptors in hyperplastic human prostate: identification and characterization using (/sup 3/H) rauwolscine

    Energy Technology Data Exchange (ETDEWEB)

    Shapiro, E.; Lepor, H.

    1986-05-01

    (/sup 3/H)Rauwolscine ((/sup 3/H)Ra), a selective ligand for the alpha 2 adrenergic receptor, was used to identify and characterize alpha 2 adrenergic receptors in prostate glands of men with benign prostatic hyperplasia. Specific binding of (/sup 3/H)Ra to prostatic tissue homogenates was rapid and readily reversible by addition of excess unlabelled phentolamine. Scatchard analysis of saturation experiments demonstrates a single, saturable class of high affinity binding sites (Bmax = 0.31 +/- 0.04 fmol./microgram. DNA, Kd = 0.9 +/- 0.11 nM.). The relative potency of alpha adrenergic drugs (clonidine, alpha-methylnorepinephrine and prazosin) in competing for (/sup 3/H)Ra binding sites was consistent with the order predicted for an alpha 2 subtype. The role of alpha 2 adrenergic receptors in normal prostatic function and in men with bladder outlet obstruction secondary to BPH requires further investigation.

  18. Placental transfer and fetal distribution of /sup 3/H-retinoic acid in rats

    Energy Technology Data Exchange (ETDEWEB)

    Shukla, R.R.; Kumar, V.; Banerjee, R.; Misra, U.K.

    1986-01-01

    The placental transfer of /sup 3/H-retinoic acid in vitamin A deprived and vitamin A supplemented pregnant female rats was studied on 20th day of gestation and compared with /sup 3/H-retinyl acetate. Radiolabelled compounds were administered to pregnant mothers orally in groundnut oil six hours before sacrifice. The distribution of radioactivity of the two compounds was studied in maternal intestine, liver and plasma and fetal brain, heart liver lung and placenta. The transfer of /sup 3/H-retinoic acid across placenta was restricted as compared to that of /sup 3/H-retinyl acetate which may explain the reason why retinoic acid does not support fetal growth.

  19. Light dependence of [3H]leucine incorporation in the oligotrophic North Pacific ocean.

    Science.gov (United States)

    Church, Matthew J; Ducklow, Hugh W; Karl, David M

    2004-07-01

    The influence of irradiance on bacterial incorporation of [(3)H]leucine was evaluated at Station ALOHA in the oligotrophic North Pacific subtropical gyre. Six experiments were conducted on three cruises to Station ALOHA to examine how [(3)H]leucine incorporation varied as a function of irradiance. Two experiments were also conducted to assess the photoautotrophic response to irradiance (based on photosynthetic uptake of [(14)C]bicarbonate) in both the upper and lower photic zones. Rates of [(3)H]leucine incorporation responded to irradiance in a photosynthesis-like manner, increasing sharply at low light and then saturating and sometimes declining with increasing light intensity. The influence of irradiance on bacterial growth was evaluated in both the well-lit (5 to 25 m) and dimly lit regions of the upper ocean (75 to 100 m) to determine whether the bacterial response to irradiance differed along the depth-dependent light gradient of the photic zone. [(3)H]leucine incorporation rates were analyzed with a photosynthesis-irradiance model for a quantitative description of the relationships between [(3)H]leucine incorporation and irradiance. Maximum rates of [(3)H]leucine incorporation in the upper photic zone increased 48 to 92% relative to those of dark-incubated samples, with [(3)H]leucine incorporation saturating at light intensities between 58 and 363 micromol of quanta m(-2) s(-1). Rates of [(3)H]leucine incorporation in the deep photic zone were photostimulated 53 to 114% and were susceptible to photoinhibition, with rates declining at light intensities of >100 micromol of quanta m(-2) s(-1). The results of these experiments revealed that sunlight directly influences bacterial growth in this open-ocean ecosystem.

  20. 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.

  1. [Pharmacokinetic study of 3H-stiripentol in rats (author's transl)].

    Science.gov (United States)

    Pieri, F; Wegmann, R; Astoin, J

    1982-01-01

    The radioactive constituents of blood, urine, and bile specimens from Wistar Rats, following intravenous administration of 3H-stiripentol were analyzed, in parallel with samples of: liver, lung, kidneys, testis, heart, brain, cerebellum, and medulla. These investigations yielded the following results: 3H-Stiripentol was quantitatively and rapidly absorbed and metabolized by Wistar rats, due to intense metabolism in the liver. The cerebellum and medulla accumulated radioactivity, which was probably related to the pharmacological effects of this drug.

  2. Chemical integrity of ( sup 3 H)GABA used in binding studies

    Energy Technology Data Exchange (ETDEWEB)

    Balcar, V.J. (Univ. of Sydney, N.S.W. (Australia))

    1989-07-01

    A method which is claimed to be able to determine the proportion of true GABA within radiolabeled GABA used in binding studies was tested using (3H)GABA. The method was found to be unsuitable for {sup 3}H-labeled GABA and, furthermore, both theoretical considerations and the present experimental data indicated that it could also produce misleading results with ({sup 14}C)GABA.

  3. 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, ...

  4. 2H NMR studies of glycerol dynamics in protein matrices.

    Science.gov (United States)

    Herbers, C R; Sauer, D; Vogel, M

    2012-03-28

    We use (2)H NMR spectroscopy to investigate the rotational motion of glycerol molecules in matrices provided by the connective tissue proteins elastin and collagen. Analyzing spin-lattice relaxation, line-shape properties, and stimulated-echo decays, we determine the rates and geometries of the motion as a function of temperature and composition. It is found that embedding glycerol in an elastin matrix leads to a mild slowdown of glycerol reorientation at low temperatures and glycerol concentrations, while the effect vanishes at ambient temperatures or high solvent content. Furthermore, it is observed that the nonexponential character of the rotational correlation functions is much more prominent in the elastin matrix than in the bulk liquid. Results from spin-lattice relaxation and line shape measurements indicate that, in the mixed systems, the strong nonexponentiality is in large part due to the existence of distributions of correlation times, which are broader on the long-time flank and, hence, more symmetric than in the neat system. Stimulated-echo analysis of slow glycerol dynamics reveals that, when elastin is added, the mechanism for the reorientation crosses over from small-angle jump dynamics to large-angle jump dynamics and the geometry of the motion changes from isotropic to anisotropic. The results are discussed against the background of present and previous findings for glycerol and water dynamics in various protein matrices and compared with observations for other dynamically highly asymmetric mixtures so as to ascertain in which way the viscous freezing of a fast component in the matrix of a slow component differs from the glassy slowdown in neat supercooled liquids.

  5. High/variable mixture ratio O2/H2 engine

    Science.gov (United States)

    Adams, A.; Parsley, R. C.

    1988-01-01

    Vehicle/engine analysis studies have identified the High/Dual Mixture Ratio O2/H2 Engine cycle as a leading candidate for an advanced Single Stage to Orbit (SSTO) propulsion system. This cycle is designed to allow operation at a higher than normal O/F ratio of 12 during liftoff and then transition to a more optimum O/F ratio of 6 at altitude. While operation at high mixture ratios lowers specific impulse, the resultant high propellant bulk density and high power density combine to minimize the influence of atmospheric drag and low altitude gravitational forces. Transition to a lower mixture ratio at altitude then provides improved specific impulse relative to a single mixture ratio engine that must select a mixture ratio that is balanced for both low and high altitude operation. This combination of increased altitude specific impulse and high propellant bulk density more than offsets the compromised low altitude performance and results in an overall mission benefit. Two areas of technical concern relative to the execution of this dual mixture ratio cycle concept are addressed. First, actions required to transition from high to low mixture ratio are examined, including an assessment of the main chamber environment as the main chamber mixture ratio passes through stoichiometric. Secondly, two approaches to meet a requirement for high turbine power at high mixture ratio condition are examined. One approach uses high turbine temperature to produce the power and requires cooled turbines. The other approach incorporates an oxidizer-rich preburner to increase turbine work capability via increased turbine mass flow.

  6. 2H NMR studies of glycerol dynamics in protein matrices

    Science.gov (United States)

    Herbers, C. R.; Sauer, D.; Vogel, M.

    2012-03-01

    We use 2H NMR spectroscopy to investigate the rotational motion of glycerol molecules in matrices provided by the connective tissue proteins elastin and collagen. Analyzing spin-lattice relaxation, line-shape properties, and stimulated-echo decays, we determine the rates and geometries of the motion as a function of temperature and composition. It is found that embedding glycerol in an elastin matrix leads to a mild slowdown of glycerol reorientation at low temperatures and glycerol concentrations, while the effect vanishes at ambient temperatures or high solvent content. Furthermore, it is observed that the nonexponential character of the rotational correlation functions is much more prominent in the elastin matrix than in the bulk liquid. Results from spin-lattice relaxation and line shape measurements indicate that, in the mixed systems, the strong nonexponentiality is in large part due to the existence of distributions of correlation times, which are broader on the long-time flank and, hence, more symmetric than in the neat system. Stimulated-echo analysis of slow glycerol dynamics reveals that, when elastin is added, the mechanism for the reorientation crosses over from small-angle jump dynamics to large-angle jump dynamics and the geometry of the motion changes from isotropic to anisotropic. The results are discussed against the background of present and previous findings for glycerol and water dynamics in various protein matrices and compared with observations for other dynamically highly asymmetric mixtures so as to ascertain in which way the viscous freezing of a fast component in the matrix of a slow component differs from the glassy slowdown in neat supercooled liquids.

  7. Effect of SO2 on the performance of Ag-Pd/Al2O3 for the selective catalytic reduction of NOx with C2H5OH

    Institute of Scientific and Technical Information of China (English)

    XIE Shu-xia; YU Yun-bo; WANG Jin; HE Hong

    2006-01-01

    The influence of SO2 on the performance of Ag-Pd/Al2O3 for the selective catalytic reduction (SCR) of NOx with C2H5OH was investigated experimentally. The activity test results suggest that Ag-Pd/Al2O3 shows a small activity loss in the presence of SO2 when using C2H5OH as a reductant. In situ DRIFTS spectra show that the activity loss originates from the formation of surface sulphate species on the Ag-Pd/Al2O3. The surface sulphate species formation inhibits the formation of nitrate, whereas hardly changes the partial oxidation of C2H5OH. Compared with the NOx reduction by C3H6, an obvious suppression of the surface sulphate species formation was observed by DRIFTS experiment when using C2H5OH as a reductant. This phenomenon reveals the better catalytic performance and strong SO2 tolerance of Ag-Pd/Al2O3-C2H5OH system.

  8. High-affinity binding of (/sup 3/H)acetylcholine to muscarinic cholinergic receptors

    Energy Technology Data Exchange (ETDEWEB)

    Kellar, K.J.; Martino, A.M.; Hall, D.P. Jr.; Schwartz, R.D.; Taylor, R.L.

    1985-06-01

    High-affinity binding of (/sup 3/H)acetylcholine to muscarinic cholinergic sites in rat CNS and peripheral tissues was measured in the presence of cytisin, which occupies nicotinic cholinergic receptors. The muscarinic sites were characterized with regard to binding kinetics, pharmacology, anatomical distribution, and regulation by guanyl nucleotides. These binding sites have characteristics of high-affinity muscarinic cholinergic receptors with a Kd of approximately 30 nM. Most of the muscarinic agonist and antagonist drugs tested have high affinity for the (/sup 3/H)acetylcholine binding site, but pirenzepine, an antagonist which is selective for M-1 receptors, has relatively low affinity. The ratio of high-affinity (/sup 3/H)acetylcholine binding sites to total muscarinic binding sites labeled by (/sup 3/H)quinuclidinyl benzilate varies from 9 to 90% in different tissues, with the highest ratios in the pons, medulla, and heart atrium. In the presence of guanyl nucleotides, (/sup 3/H) acetylcholine binding is decreased, but the extent of decrease varies from 40 to 90% in different tissues, with the largest decreases being found in the pons, medulla, cerebellum, and heart atrium. The results indicate that (/sup 3/H)acetylcholine binds to high-affinity M-1 and M-2 muscarinic receptors, and they suggest that most M-2 sites have high affinity for acetylcholine but that only a small fraction of M-1 sites have such high affinity.

  9. 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

  10. The structure of Fe sub 2 (PO sub 3 H) sub 3. Structure du phosphite de Fer: Fe sub 2 (PO sub 3 H) sub 3

    Energy Technology Data Exchange (ETDEWEB)

    Sghyar, M. (Lab. de Chimie Minerale Appliquee, Faculte des Sciences, Fes (Morocco)); Durand, J.; Cot, L. (Lab. de Physicochimie des Materiaux, Ecole Nationale Superieure de Chimie de Montpellier, 34 - Motpellier (France)); Rafiq, M. (Lab. de Chimie Minerale Appliquee, Faculte des Sciences, Fes (Morocco))

    1992-12-15

    M{sub r}=351.7, hexagonal, P6{sub 3}/m, a=8.037(2), c=7.352(2) A, V=411.3(3) A{sup 3}, Z=4, D{sub m}=5.664 (by pycnometry), D{sub x}=5.682 Mg m{sup -3}, {lambda}(Mo K{alpha})=0.71069 A, {mu}=39.79 mm{sup -1}, F(000)=292, room temperature, final R=0.028, wR=0.035 for 397 independent reflections. Fe{sub 2}(PO{sub 3}H){sub 3} has been studied by single-crystal X-ray analysis with an automatic diffractometer. The structure is built from one pair of face-sharing octahedra perpendicular to the c axis. PO{sub 3}H{sup 2-} tetrahedra and FeO{sub 6} octahedra only share vertices. Hydrogen atoms of the PO{sub 3}H{sup 2-} anions are in the 3 A diameter channel around the 6{sub 3} axis. (orig.).

  11. Spin-orbit Splitting and Lifetime Broadening in the A2△ Electronic State of l-C5H

    Institute of Scientific and Technical Information of China (English)

    Mohammad Ali Haddad; Dong-feng Zhao; Harold Linnartza; Wim Ubachs

    2012-01-01

    Optical absorption bands at ~18772 and ~18807 cm-1,previously assigned to A2△-X2Ⅱelectronic origin band transitions of the linear carbon-chain radicals C5H and CsD,respectively,have been reinvestigated.The spectra have been recorded in direct absorption applying cavity ring-down spectroscopy to a supersonically expanding acetylene/helium plasma.The improved spectra allow deducing a l-C5H upper state spin-orbit coupling constant A1=-0.7(3) cm-1 and a A2△ lifetime of 1.6±0.3 ps.

  12. Measurement of extremely (2) H-enriched water samples by laser spectrometry: application to batch electrolytic concentration of environmental tritium samples.

    Science.gov (United States)

    Wassenaar, L I; Kumar, B; Douence, C; Belachew, D L; Aggarwal, P K

    2016-02-15

    Natural water samples artificially or experimentally enriched in deuterium ((2) H) at concentrations up to 10,000 ppm are required for various medical, environmental and hydrological tracer applications, but are difficult to measure using conventional stable isotope ratio mass spectrometry. Here we demonstrate that off-axis integrated cavity output (OA-ICOS) laser spectrometry, along with (2) H-enriched laboratory calibration standards and appropriate analysis templates, allows for low-cost, fast, and accurate determinations of water samples having δ(2) HVSMOW-SLAP values up to at least 57,000 ‰ (~9000 ppm) at a processing rate of 60 samples per day. As one practical application, extremely (2) H-enriched samples were measured by laser spectrometry and compared to the traditional (3) H Spike-Proxy method in order to determine tritium enrichment factors in the batch electrolysis of environmental waters. Highly (2) H-enriched samples were taken from different sets of electrolytically concentrated standards and low-level (tritium samples, and all cases returned accurate and precise initial low-level (3) H results. The ability to quickly and accurately measure extremely (2) H-enriched waters by laser spectrometry will facilitate the use of deuterium as a tracer in numerous environmental and other applications. For low-level tritium operations, this new analytical ability facilitated a 10-20 % increase in sample productivity through the elimination of spike standards and gravimetrics, and provides immediate feedback on electrolytic enrichment cell performance. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  13. Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface

    Science.gov (United States)

    Chen, Liuyang; Shao, Kejie; Chen, Jun; Yang, Minghui; Zhang, Dong H.

    2016-05-01

    This work performs a time-dependent wavepacket study of the H2 + C2H → H + C2H2 reaction on a new ab initio potential energy surface (PES). The PES is constructed using neural network method based on 68 478 geometries with energies calculated at UCCSD(T)-F12a/aug-cc-pVTZ level and covers H2 + C2H↔H + C2H2, H + C2H2 → HCCH2, and HCCH2 radial isomerization reaction regions. The reaction dynamics of H2 + C2H → H + C2H2 are investigated using full-dimensional quantum dynamics method. The initial-state selected reaction probabilities are calculated for reactants in eight vibrational states. The calculated results showed that the H2 vibrational excitation predominantly enhances the reactivity while the excitation of bending mode of C2H slightly inhibits the reaction. The excitations of two stretching modes of C2H molecule have negligible effect on the reactivity. The integral cross section is calculated with J-shift approximation and the mode selectivity in this reaction is discussed. The rate constants over 200-2000 K are calculated and agree well with the experimental measured values.

  14. A comparison of 2H2O and phenylalanine flooding dose to investigate muscle protein synthesis with acute exercise in rats

    Science.gov (United States)

    Gasier, Heath G.; Riechman, Steven E.; Wiggs, Michael P.; Previs, Stephen F.; Fluckey, James D.

    2009-01-01

    The primary objective of this investigation was to determine whether 2H2O and phenylalanine (Phe) flooding dose methods yield comparable fractional rates of protein synthesis (FSR) in skeletal muscle following a single bout of high-intensity resistance exercise (RE). Sprague-Dawley rats were assigned by body mass to either 4-h control (CON 4 h; n = 6), 4-h resistance exercise (RE 4 h; n = 6), 24-h control (CON 24 h; n = 6), or 24-h resistance exercise (RE 24 h; n = 6). The RE groups were operantly conditioned to engage in a single bout of high-intensity, “squat-like” RE. All rats were given an intraperitoneal injection of 99.9% 2H2O and provided 4.0% 2H2O drinking water for either 24 (n = 12) or 4 h (n = 12) prior to receiving a flooding dose of l-[2,3,4,5,6-3H]Phe 16 h post-RE. Neither method detected an effect of RE on FSR in the mixed gastrocnemius, plantaris, or soleus muscle. Aside from the qualitative similarities between methods, the 4-h 2H2O FSR measurements, when expressed in percent per hour, were quantitatively greater than the 24-h 2H2O and Phe flooding in all muscles (P < 0.001), and the 24-h 2H2O was greater than the Phe flooding dose in the mixed gastrocnemius and plantaris (P < 0.05). In contrast, the actual percentage of newly synthesized protein was significantly higher in the 24- vs. 4-h 2H2O and Phe flooding dose groups (P < 0.001). These results suggest that the methodologies provide “qualitatively” similar results when a perturbation such as RE is studied. However, due to potential quantitative differences between methods, the experimental question should determine what approach should be used. PMID:19366878

  15. 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.

  16. 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.

  17. Characterizing a sewage plume using the 3H-3He dating technique

    Science.gov (United States)

    Shapiro, Stephanie Dunkle; LeBlanc, Denis; Schlosser, Peter; Ludin, Andrea

    1999-01-01

    An extensive 3H-3He study was performed to determine detailed characteristics of a regional flow system and a sewage plume over a distance of 4 km in a sand and gravel aquifer at Otis Air Base in Falmouth, Massachusetts. 3H-3He ages increase with depth in individual piezometer clusters and with distance along flowpaths. However, the age gradient with depth (Δt/Δz) is smaller in the plume than that in the regional waters, due to the intense recharge in the infiltration beds. The 1960s bomb peak of tritium in precipitation is archived longitudinally along a flowline through the main axis of the plume and vertically in individual piezometer clusters. On the eastern side of the sampling area, where water from Ashumet Pond forces plume water deeper into the flow system, 3H-3He ages are young at depth because the 3H-3He "clock" is reset due to outgassing of helium in the pond. A reconstruction of the tritium input functions for the regional and plume samples shows that there is no offset in the peak [3H]+[3Hetrit] concentrations for the plume and regional water, indicating that the water from supply wells for use on the base is young. The 3H-3He ages and detergent concentrations in individual wells are consistent with the beginning of use of detergents and the time period when their concentrations in sewage would have been greatest. Ages and hydraulic properties calculated using the 3H-3He data compare well with those from previous investigations and from particle-tracking simulations.

  18. 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.

  19. 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.

  20. 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.

  1. PHENYLSULFONYL-SUBSTITUTED 5-ALKOXY-2(5H)-FURANONES - A NEW CLASS OF HIGHLY REACTIVE CHIRAL DIENOPHILES

    NARCIS (Netherlands)

    DEJONG, JC; VANDENBERG, KJ; FERINGA, BL; van Leusen, A.M.

    1991-01-01

    The synthesis of enantiomerically pure (5S)-5-(d-menthyloxy)-4-(phenylsulfonyl)-2(5H)-furanone (4) and the application of 4 as efficient dienophile in Diels-Alder reactions under mild conditions with enantioselectivities > 98% e.e. are described.

  2. Phenylsulfonyl-substituted 5-Alkoxy-2(5H)-furanones; a New Class of Highly Reactive Chiral Dienophiles.

    NARCIS (Netherlands)

    de Jong, Johannes C.; Berg, Keimpe J. van den; Leusen, Albert M. van; Feringa, Bernard

    1991-01-01

    The synthesis of enantiomerically pure (5S)-5-(d-menthyloxy)-4-(phenylsulfonyl)-2(5H)-furanone (4) and the application of 4 as efficient dienophile in Diels-Alder reactions under mild conditions with enantioselectivities >98% e.e. are described.

  3. SELLi mängudelt 1 kuld, 2,5 hõbedat ja 3 pronksi / Lauri Puolokkainen

    Index Scriptorium Estoniae

    Puolokkainen, Lauri

    2006-01-01

    19.-21. mail toimusid Tartus XXII SELLi mängud, millest võttis osa 1675 üliõpilast 86 erinevast ülikoolist. Tallinna Ülikoolist osales võistlustel 75 tudengit, kes võitsid 1 kulda, 2,5 hõbedat ja 3 pronksi

  4. Experimental and computational study on the energetics of 10,11-dihydro-5H-dibenzo[a,d]cycloheptene (dibenzosuberane)

    Energy Technology Data Exchange (ETDEWEB)

    Miranda, Margarida S., E-mail: msmirand@fc.up.p [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Centro de Geologia da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Matos, M. Agostinha R., E-mail: marmatos@fc.up.p [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Morais, Victor M.F., E-mail: vmmorais@icbas.up.p [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Instituto de Ciencias Biomedicas Abel Salazar, ICBAS, Universidade do Porto, P-4099-003 Porto (Portugal); Liebman, Joel F., E-mail: jliebman@umbc.ed [Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, Baltimore, MD 21250 (United States)

    2011-03-15

    A study on the molecular structure and energetics of 10,11-dihydro-5H-dibenzo[a,d]cycloheptene (dibenzosuberane) was performed combining experimental calorimetric techniques and high level computational calculations. In the experimental work, the solid phase standard (p{sup 0} = 0.1 MPa) molar enthalpy of formation of 10,11-dihydro-5H-dibenzo[a,d]cycloheptene was derived from its standard massic energy of combustion, at T = 298.15 K, measured by static bomb combustion calorimetry, in oxygen. The respective standard molar enthalpy of sublimation, at T = 298.15 K, was measured by Calvet microcalorimetry enabling the calculation of the standard molar enthalpy of formation (161.4 {+-} 3.7) kJ {center_dot} mol{sup -1}, in the gaseous phase, at T = 298.15 K. In addition, computational calculations were performed using the density functional theory with the B3LYP hybrid functional and extended basis sets in order to obtain the molecular structure of 10,11-dihydro-5H-dibenzo[a,d]cycloheptene and that of related molecules. Estimates of the standard molar enthalpy of formation, in the gaseous phase, at T = 298.15 K, for 10,11-dihydro-5H-dibenzo[a,d]cycloheptene were performed using three different methods: G3(MP2)//B3LYP, MC3BB, and MC3MPW and appropriate homodesmic reactions. Computational estimates are in very good agreement with the experimental value.

  5. Synthesis of 3-Bromotetronamides via Amination of 3,4-Dibromofuran-2(5H)-one

    Energy Technology Data Exchange (ETDEWEB)

    Cunha, Silvio; Oliveira, Caio C., E-mail: silviodc@ufba.b [Universidade Federal da Bahia (IQ/UFBA), Salvador, BA (Brazil). Inst. de Quimica; Instituto Nacional de Ciencia e Tecnologia (INCT) em Energia, Salvador, BA (Brazil); Sabino, Jose R. [Universidade Federal de Goias (IF/UFG), Goiania (Brazil). Inst. de Fisica

    2011-07-01

    This work describes the direct synthesis of 3-bromotetronamides in good yields through the reaction of 3,4-dibromofuran-2(5H)-one, obtained from furfural, with primary and secondary amines. Aromatic amines were more tolerated than aliphatic and heteroaromatic ones. The X-ray structures of five derivatives are described. (author)

  6. 9 CFR 146.14 - Diagnostic surveillance program for H5/H7 low pathogenic avian influenza.

    Science.gov (United States)

    2010-01-01

    .../H7 low pathogenic avian influenza. 146.14 Section 146.14 Animals and Animal Products ANIMAL AND PLANT... pathogenic avian influenza. (a) The Official State Agency must develop a diagnostic surveillance program for H5/H7 low pathogenic avian influenza for all poultry in the State. The exact provisions of the...

  7. Asymmetric 1,3-Dipolar Cycloadditions to 5-(R)-Menthyloxy-2(5H)-Furanone

    NARCIS (Netherlands)

    Rispens, Minze T.; Keller, Erik; Lange, Ben de; Zijlstra, Robert W.J.; Feringa, Bernard

    Various diazo compounds, nitrile oxides, nitrones and azomethine ylides were examined in 1,3-dipolar cycloadditions to enantiomerically pure 5-(R)-menthyloxy-2(5H)-furanone 1a. Pyrazoline 9 was obtained in 100% c.y. as a mixture of 2 diastereoisomers in ratios up to 72 : 28, whereas pyrazoline 16

  8. Visual area V5/hMT+ contributes to perception of tactile motion direction: a TMS study.

    Science.gov (United States)

    Amemiya, Tomohiro; Beck, Brianna; Walsh, Vincent; Gomi, Hiroaki; Haggard, Patrick

    2017-01-20

    Human imaging studies have reported activations associated with tactile motion perception in visual motion area V5/hMT+, primary somatosensory cortex (SI) and posterior parietal cortex (PPC; Brodmann areas 7/40). However, such studies cannot establish whether these areas are causally involved in tactile motion perception. We delivered double-pulse transcranial magnetic stimulation (TMS) while moving a single tactile point across the fingertip, and used signal detection theory to quantify perceptual sensitivity to motion direction. TMS over both SI and V5/hMT+, but not the PPC site, significantly reduced tactile direction discrimination. Our results show that V5/hMT+ plays a causal role in tactile direction processing, and strengthen the case for V5/hMT+ serving multimodal motion perception. Further, our findings are consistent with a serial model of cortical tactile processing, in which higher-order perceptual processing depends upon information received from SI. By contrast, our results do not provide clear evidence that the PPC site we targeted (Brodmann areas 7/40) contributes to tactile direction perception.

  9. 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.

  10. Identification of symmetry, structure and defects of dopant Mn(II) ions in Zn(C 3H 3O 4) 2(H 2O) 2 by single crystal EPR technique

    Science.gov (United States)

    Natarajan, B.; Mithira, S.; Sambasiva Rao, P.

    2008-12-01

    In order to understand the symmetry, structure and defects of Mn(II) impurity incorporated in diaquabis[malonato(1-)-κ 2O,O'] zinc(II), single crystal EPR studies have been carried out at X-band frequencies at room temperature. Angular variation in the three orthogonal planes shows the presence of two defects, having a relatively large and small zero-field splitting parameter ( D), with orthorhombic symmetry. The spin-Hamiltonian parameters, estimated from the three mutually orthogonal crystal rotations, are: Defect I:g xx = 1.959, g yy = 1.998, g zz = 2.011; A xx = -8.73, A yy = -8.55, A zz = -9.10 mT; D xx = 5.58, D yy = 1.33, D zz = -6.91 mT. Defect II:g xx = 2.015, g yy = 1.996, g zz = 2.004; A xx = -8.18, A yy = -8.00, A zz = -8.58 mT; D xx = 33.48, D yy = 6.92, D zz = -40.40 mT. The observed large zero-field tensor for Defect II is due to the steric effects caused by the two malonate rings. The location of the two interstitial defects has been determined from the X-ray data of the host lattice. The powder EPR spectrum also confirms the chemical inequivalence of the two defects. The optical absorption spectrum shows the characteristic of Mn(II) ions in distorted octahedral symmetry.

  11. Crystal structure of 3-{1-[(1-allyl-1H-indazol-6-ylamino]ethylidene}-6-methyl-2H-pyran-2,4(3H-dione

    Directory of Open Access Journals (Sweden)

    Mohamed El Ghozlani

    2014-12-01

    Full Text Available In the title compound, C18H17N3O3, the dihedral angle between the planes of the indazole ring system [maximum deviation = 0.012 (1 Å] and the pyran-2,4-dione ring is 54.03 (6°. An intramolecular N—H...O hydrogen bond closes an S(6 ring. The same H atom also participates in an intermolecular N—H...O hydrogen bond, which generates an inversion dimer. The dimers are linked by weak C—H...O contacts, thereby forming a three-dimensional network.

  12. 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.

  13. 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.

  14. Spectroscopic, thermal, antimicrobial and molecular modeling studies of mononuclear pentafunctional Schiff base metal chelates derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione

    Science.gov (United States)

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

    2015-03-01

    A new pentafunctional N3O2 Schiff base, H2L ligand, and its metal chelates with Cu(II), Ni(II), Co(II), VO(IV), Zn(II), Cd(II), Ce(III), Cr(III), Fe(III) and UO2(VI) have been synthesized and characterized by elemental analysis, spectral, molar conductance, magnetic and thermal gravimetric studies. The results showed that the complexes have octahedral geometry except UO2 complex which has pentagonal bipyramidal arrangement. The TGA analyses suggest high stability for most complexes followed by thermal decomposition in different steps. The kinetic and thermodynamic parameters for decomposition steps of metal complexes thermograms have been calculated. Molecular orbital calculations were performed for the ligand and its metal complexes by means of hyperchem 7.52 program on the bases of semiempirical PM3 level and the results were correlated with the experimental data. The antimicrobial activity of the synthesized compounds were tested in vitro against some Gram-positive and Gram-negative bacteria; yeast and fungus strains and the results were discussed in terms of extended Lewis acid-base interactions.

  15. CCDC 1404074: Experimental Crystal Structure Determination : (2-((4,5-diphenyl-3H-benzo[e]indol-2-yl)(phenyl)methylene)-4,5-diphenyl-2H-benzo[g]indolato)(difluoro)borate

    KAUST Repository

    Chua, Ming Hui

    2015-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  16. 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.

  17. [Cu(Gly-Gly)(Im)]·2H2O的合成、晶体结构及热化学性质%Synthesis of [Cu(Gly-Gly)(Im)]·2H2O with Its Crystal Structure and Thermochemical Characteristics

    Institute of Scientific and Technical Information of China (English)

    赵艳茹; 王宏胜

    2013-01-01

    Complex [Cu(Gly-Gly)(Im)] -2H2O(s) was prepared by mixing the solution of copper sulfate pentahydrate, glycylglycine and imidazole. The crystal structure of [Cu (Gly-Gly) (Im)] ? 2H2O was determined by X-Ray single crystal diffraction. The crystal belongs monoclinic with space group P2,/n and unit-cell parameters are a= 1.0213(6)nm, b =0.7023(4)nm, c =1.591 l(9)nm, /3=102.393(9)°, V = 1.1147(1 l)nm3, and 2= 4, respectively. The dissolution enthalpies of CuSO4-5H2O(s)+Gly-Gly(s) + Na2SO4(s), Im(s) and [Cu(Gly-Gly) (Im)]· 2H2O(s), 2NaHSO4 · H2O(s) have been determined in 2mol/L HC1 solution by the classical solution calorimetry. According to Hess law, a thermochemical cycle is designed. By calculation, the reaction enthalpy of CuSO4-5H2O(s) + Gly-Gly (s) + Im(s) + Na2SO4(s) =[Cu (Gly-Glv)(Im)]-2H2O(s) + 2Na ·HSO4 · H2O(s) + H2O(1) is calculated, ΔΗθm(298.15K)=(36.763,4±1.132,5)kJ/mol, and furthermore the standard formation enthalpy of [Cu(Gly-Gly)(Im)] · 2H20(s) has also been calculated, ΔΗθm([Cu(Gly-Gly)(Im)]-2H2O(s), 298.15K)=(-l,770.3± 1.4)kJ/mol.%以五水硫酸铜、甘氨酰甘氨酸(Gly-Gly)、咪唑(Im)为原料,制备了甘氨酰甘氨酸咪唑铜配合物,通过×射线单晶衍射测定了配合物的结构.该晶体属单斜晶系,P21/n空间群,a=1.0213(6)nm,b=-0.7023(4)nm,c=1.5911 (9)nm,/3=102.393(9)°,V=1.1147(11)nm3,Z=4.用溶解量热法分别测定了CuSO4· 5H2O(s)+Gly-Gly(s)+Na2SO4(s)、lm(s)和[Cu(Gly-Gly)(Im)]· 2H2O(s)、NaHSO4·H2O(s)在2mol/L HCl中的溶解焓.根据Hess定律设计了一个热化学循环,计算得到CuSO4·5H2O(s)+Gly-Gly(s)+lm(s)+Na2SO4(s)=[Cu(Gly-Gly)(Im)]·2H2O(s)+2NaHSO4· H2O(s)+H2O(I)的反应焓△rHθm(298.15K) =(36.7634±1.1325)kJ/mol,进而求出[Cu(GlyGly)(Im)]·2H2O(s)的标准生成焓△fHθm{[Cu(Gly-Gly)(Im)]· 2H2O(s),298.15K}=(-1770.3±1.4)kJ/mol.

  18. Pembuatan Kristal Tembaga Sulfat Pentahidrat (CuSO4.5H2O dari Tembaga Bekas Kumparan

    Directory of Open Access Journals (Sweden)

    Fitrony Fitrony

    2013-03-01

    Full Text Available Tujuan penelitian ini yaitu untuk mempelajari proses pembuatan kristal CuSO4.5H2O dari bahan baku Cu bekas kumparan; mempelajari pengaruh suhu reaksi, pengadukan, dan seeding terhadap kristal CuSO4.5H2O yang dihasilkan; dan membuktikan kristal hasil percobaan berupa kristal CuSO4.5H2O yang dihasilkan. Bahan baku yang dipakai yaitu berupa kawat tembaga bekas kumparan dinamo. Penelitian ini mencakup penanganan produk dan persiapan bahan baku. Sebelum digunakan, bahan baku logam dibersihkan dari pengotor lalu dipotong kecil-kecil yang bertujuan agar mempermudah dan mempercepat proses pelarutan tembaga dengan HNO3. Setelah pelarutan, larutan direaksikan dengan H2SO4 pekat yang sudah diencerkan pada suhu tertentu. Kemudian dilakukan kristalisasi disertai dengan pengadukan. Dari data hasil penelitian dapat disimpulkan bahwa kristal CuSO4.5H2O dengan 99% yield dan ukuran kristal rata-rata 0,7 mm dapat dibuat dari tembaga bekas kumparan dengan suhu reaksi 90ºC, penambahan seed, dan pengadukan kristalisasi 500 rpm. Semakin tinggi suhu reaksi maka kelarutan CuSO4 dalam air semakin besar sehingga semakin banyak yield kristal yang dihasilkan. Kecepatan pengadukan cenderung tidak mempengaruhi yield kristal yang dihasilkan, namun berpengaruh terhadap ukuran kristal. Pengadukan akan membuat ukuran kristal lebih kecil daripada tanpa pengadukan. Pengondisian seeding dapat menaikkan yield kristal sekitar 10,72 – 27,13 % jika dibandingkan dengan non seeding dikarenakan terjadinya heterogeneous nucleation. Berdasarkan analisa XRD, kristal CuSO4.5H2O hasil percobaan sesuai dengan data standard XRD kode referensi 01-072-2355.

  19. Data of evolutionary structure change: 1ATGA-2H5YB [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1ATGA-2H5YB 1ATG 2H5Y A B ---ELKVVTATNFLGTLEQLAGQFAKQTGHAVVISSGSS...>QTAPVTVFAAASLKESMDEAATAYEKATGTPVRVSYAASSALARQIEQGAPADVFLSADLEWMDYLQQHGLVLPAQRHNL...HHHH - 0 1ATG... A 1ATGA KVLAG--NGWRH 1ATG A 1ATGA DKL

  20. Data of evolutionary structure change: 1ATGA-2H5YC [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1ATGA-2H5YC 1ATG 2H5Y A C --ELKVVTATNFLGTLEQLAGQFAKQTGHAVVISSGSSG...>TAPVTVFAAASLKESMDEAATAYEKATGTPVRVSYAASSALARQIEQGAPADVFLSADLEWMDYLQQHGLVLPAQRHNLL...HHHHHHHHH - 0 1ATG... A 1ATGA PGSHW---F... 1ATG A 1ATG

  1. 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.

  2. Remarkably efficient synthesis of 2H-indazole 1-oxides and 2H-indazoles via tandem carbon-carbon followed by nitrogen-nitrogen bond formation.

    Science.gov (United States)

    Bouillon, Isabelle; Zajícek, Jaroslav; Pudelová, Nadĕzda; Krchnák, Viktor

    2008-11-21

    Base-catalyzed tandem carbon-carbon followed by nitrogen-nitrogen bond formations quantitatively converted N-alkyl-2-nitro-N-(2-oxo-2-aryl-ethyl)-benzenesulfonamides to 2H-indazoles 1-oxides under mild conditions. Triphenylphosphine or mesyl chloride/triethylamine-mediated deoxygenation afforded 2H-indazoles.

  3. /sup 3/H-imipramine binding in aged mouse brain: regulation by ions and serotonin

    Energy Technology Data Exchange (ETDEWEB)

    Severson, J.A.

    1986-03-01

    The density of binding sites (Bmax) for /sup 3/H-imipramine was elevated in cerebral cortical, hypothalamic and hippocampal membranes from 24 month old male C57BL/6J mice. Cerebellar binding was constant with increasing age. There were no changes in the equilibrium dissociation constant (Kd) for /sup 3/H-imipramine in any brain region. The increase in the binding of /sup 3/H-imipramine induced by sodium and chloride ions in vitro was diminished in cerebral cortical homogenates from aged mice; both the sodium-sensitive and chloride-sensitive components of binding were about 50% less in aged mice. Dose-response curves indicated that the effectiveness with which chloride enhanced binding was similar with age, even though the absolute increase in binding was less. The rate of dissociation of /sup 3/H-imipramine from cerebral cortical homogenates was similar with age and serotonin slowed the rate of dissociation equally at all ages. Possible mechanisms for the age-related increase in brain /sup 3/H-imipramine binding are discussed. Ion-sensitive binding is discussed in relationship to the current controversy surrounding desipramine-sensitive versus ion-sensitive binding.

  4. 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.

  5. Characterization of ( sup 3 H)alprazolam binding to central benzodiazepine receptors

    Energy Technology Data Exchange (ETDEWEB)

    McCabe, R.T.; Mahan, D.R.; Smith, R.B.; Wamsley, J.K. (Neuropsychiatric Research Institute, Fargo, ND (USA))

    1990-10-01

    The binding of the triazolobenzodiazepine ({sup 3}H)alprazolam was studied to characterize the in vitro interactions with benzodiazepine receptors in membrane preparations of rat brain. Studies using nonequilibrium and equilibrium binding conditions for ({sup 3}H)alprazolam resulted in high specific to nonspecific (signal to noise) binding ratios. The binding of ({sup 3}H)alprazolam was saturable and specific with a low nanomolar affinity for benzodiazepine receptors in the rat brain. The Kd was 4.6 nM and the Bmax was 2.6 pmol/mg protein. GABA enhanced ({sup 3}H)alprazolam binding while several benzodiazepine receptor ligands were competitive inhibitors of this drug. Compounds that bind to other receptor sites had a very weak or negligible effect on ({sup 3}H)alprazolam binding. Alprazolam, an agent used as an anxiolytic and in the treatment of depression, acts in vitro as a selective and specific ligand for benzodiazepine receptors in the rat brain. The biochemical binding profile does not appear to account for the unique therapeutic properties which distinguish this compound from the other benzodiazepines in its class.

  6. Syntheses and Structural Researches of Yb3+ Complexes with Nitrilotriacetic Acids—Nine—coordinate K3[Yb(nta)2(H2O)]·5H2O and Eight—coordinate Na3[Yb(nta)2]·6H2O complexes

    Institute of Scientific and Technical Information of China (English)

    WANGJun; ZHANGXiang-dong; JIAWei-guo; LIHui-fang

    2003-01-01

    Yb3+ complexes with two nitrilotriacetic acid molecules were prepared and their compositions were determined as K3[Yb(nta)2(H2O)]·5H2O and Na3[Yb(nta)2]·6H2O by elemental analyses.Their structures were characterized by single-crystal X-ray diffraction analyses.In complex K3[Yb(nta)2(H2O)]·5H2O,the YbN2O7 part forms a nine-coordinate monocapped square antiprismatic structure.In comples Na3[Yb(nta)2]·6H2O,the YbN2O6 part forms an eight-coordinate square antiprismatic structure.It can be seen that the outer cations(K+ and Na+)greatly affect the coordination number and coordinate structure from these results.

  7. Synthesis and Structure Characterization of [HgCl(η5-C5H3C(CH3)=N-3-C5H4N)Fe(η5-C5H5)]·1/2CH2Cl2

    Institute of Scientific and Technical Information of China (English)

    林昆华; 宋毛平; 杜晨霞; 张巧红; 郝新奇; 吴养洁

    2004-01-01

    A new cyclomercurated ferrocenylketimine containing pyridyl ring ([HgCl(η5- C5H3C(CH3)=N-3-C5H4N)Fe(η5-C5H5)]·1/2CH2Cl2, Mr = 581.66) was synthesized and its molecular structure has been confirmed by IR, elemental analysis, 1H-NMR and X-ray crystal structure analysis. It is of monoclinic system, space group P21/c with a = 9.213(2), b = 17.479(4), c = 11.510(2)A, β= 100.32(3)°, V = 1823.7(6) A3, Z = 4, C17.5H16Cl2FeHgN2, Dc = 2.119 g/cm3,μ = 9.497 mm-1, F(000) = 1100,Wr = 0.0436 and Wr = 0.0987. The independent reflections are 3527, of which 3153 with I ≥ 2σ(I) were observed. The compound contains a five-membered metallocycle. The mercury atom is bonded with the 2-position of substituted cyclopentadienyl ring (Cp), and coordinated weakly to the N atom of imino group. The pyridyl ring is almost perpendicular to the substituted Cp which is nearly coplanar with the metallocycle. The Hg(1)-C(1) and Hg(1)-Cl(1) bond lengths are 2.050(8) and 2.321(2)A,respectively.

  8. 6,7-二氢-5H-环戊烷并[b]吡啶的合成%Synthesis of 6,7-dihydro-5H-cyclopentano[b]pyridine

    Institute of Scientific and Technical Information of China (English)

    宫平; 赵燕芳; 余德胜

    2001-01-01

    O-Allyl-cyclopentanone oxime intermediate was prepared by the“one pot” method,and the thermolysis of it in oxygen gave 6,7-dihydro-5H-cyclopentano[b]pyridine, the total yield was 35%.%以“一勺烩”方法制备中间体O-烯丙基-环戊酮肟,无需分离纯化化合物O-烯丙基羟胺,热解反应以氧气代替空气,制得6,7-二氢-5H-环戊烷并[b]吡啶,反应总收率为35%。

  9. A proportional chamber to measure the screening potential in sup 3 H beta decay

    CERN Document Server

    Paterson, D J; Batkin, I S

    1999-01-01

    A gas proportional chamber has been assembled to make precise observations of the low-energy region of the sup 3 H beta spectrum. Backgrounds have been measured and understood, and are maintained at approx 2% of the data rate. Wall effects have been simulated for this chamber and are predicted at <0.5% of events. Systematic effects which may introduce errors into the observed spectrum have been carefully measured at a level below approx 10 sup - sup 4 per ADC channel. This apparatus will be used to make precise measurements of the effects of screening of the nuclear charge by orbital electrons on the beta spectrum of sup 3 H, and to attempt to observe the effect of a hypothesized admixture of heavy neutrinos in the sup 3 H spectrum.

  10. 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.

  11. Direct Acylation of C(sp(3))-H Bonds Enabled by Nickel and Photoredox Catalysis.

    Science.gov (United States)

    Joe, Candice L; Doyle, Abigail G

    2016-03-14

    Using nickel and photoredox catalysis, the direct functionalization of C(sp(3))-H bonds of N-aryl amines by acyl electrophiles is described. The method affords a diverse range of α-amino ketones at room temperature and is amenable to late-stage coupling of complex and biologically relevant groups. C(sp(3))-H activation occurs by photoredox-mediated oxidation to generate α-amino radicals which are intercepted by nickel in catalytic C(sp(3))-C coupling. The merger of these two modes of catalysis leverages nickel's unique properties in alkyl cross-coupling while avoiding limitations commonly associated with transition-metal-mediated C(sp(3))-H activation, including requirements for chelating directing groups and high reaction temperatures.

  12. 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

  13. Effect of membrane protein concentration on binding of /sup 3/H-imipramine in human platelets

    Energy Technology Data Exchange (ETDEWEB)

    Barkai, A.I.; Kowalik, S.; Baron, M.

    1985-02-01

    Binding of /sup 3/H-imipramine to platelet membranes has been implicated as a marker for depression. Comparing /sup 3/H-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 /sup 3/H-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.

  14. Dynamic uptake of radioactive substance in rat salivary gland following /sup 3/H-melatonin administration

    Energy Technology Data Exchange (ETDEWEB)

    Withyachumnarnkul, B.; Wongprapairot, P.; Trakulrungsi, W.

    1987-01-01

    Dynamics of radioactive accumulation in rat greater salivary gland following systemic administration of /sup 3/H-melatonin was studied to determine a possible action of the hormone in the gland. Progressive decline of /sup 3/H-melatonin concentrations was found in the serum, lung, skeletal muscle, liver, kidney, and salivary gland during 60 min following the administration. On the contrary, there was a progressive accumulation of radioactive substance other than /sup 3/H-melatonin in the salivary gland but not in other tissues mentioned. The radioactivity was also progressively and preferentially localized in the nuclear fraction of the gland cells. These results suggest a possible direct action of melatonin derivative in rat salivary gland.

  15. 6,7-二氢-5H-环戊烷并b 吡啶的合成方法的研究%Study on Synthesis Method of 6,7-dihydro-5H-Cyclopentano b Pyridine

    Institute of Scientific and Technical Information of China (English)

    孙罡; 陆长纯

    2008-01-01

    以"一步法"方法制备中间体O-烯丙基-环戊酮肟,无需分离纯化化合物O-烯丙基羟胺,热解反应以氧气代替空气,制得6,7-二氢-5H-环戊烷并b 吡啶,反应总收率为48%.

  16. 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.

  17. 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.

  18. 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.

  19. Distribution of 3H-GABA uptake sites in the nematode Ascaris

    Energy Technology Data Exchange (ETDEWEB)

    Guastella, J.; Stretton, A.O. (University of Wisconsin, Madison (USA))

    1991-05-22

    The distribution of uptake sites for the inhibitory neurotransmitter gamma-aminobutyric acid (GABA) in the nematode Ascaris suum was examined by autoradiography of 3H-GABA uptake. Single neural processes in both the ventral and dorsal nerve cords were labeled with 3H-GABA. Serial section analysis identified the cells of origin of these processes as the RMEV-like and RMED-like neurons. These cells belong to a set of four neurons in the nerve ring, all of which are labeled by 3H-GABA. 3H-GABA labeling of at least two other sets of cephalic neurons was seen. One of these pairs consists of medium-sized lateral ganglia neurons, located at the level of the amphid commissure bundle. A second pair is located in the lateral ganglia at the level of the deirid commissure bundle. The position and size of these lateral ganglia cells suggest that they are the GABA-immunoreactive lateral ganglia cells frequently seen in whole-mount immunocytochemical preparations. Four neuronal cell bodies located in the retrovesicular ganglion were also labeled with 3H-GABA. These cells, which are probably cholinergic excitatory motor neurons, do not contain detectable GABA-like immunoreactivity. Heavy labeling of muscle cells was also observed. The ventral and dorsal nerve cord inhibitory motor neurons, which are known to contain GABA-like immunoreactivity, were not labeled above background with 3H-GABA. Together with the experiments reported previously, these results define three classes of GABA-associated neurons in Ascaris: (1) neurons that contain endogenous GABA and possess a GABA uptake system; (2) neurons that contain endogenous GABA, but that either lack a GABA uptake system or possess a GABA uptake system of low activity; (3) neurons that possess a GABA uptake system, but that lack endogenous GABA.

  20. Neurotensin decreases high affinity [3H]-ouabain binding to cerebral cortex membranes.

    Science.gov (United States)

    Rosin, Carina; Ordieres, María Graciela López; Arnaiz, Georgina Rodríguez de Lores

    2011-12-10

    Previous work from this laboratory showed the ability of neurotensin to inhibit synaptosomal membrane Na(+), K(+)-ATPase activity, the effect being blocked by SR 48692, a non-peptidic antagonist for high affinity neurotensin receptor (NTS1) [López Ordieres and Rodríguez de Lores Arnaiz 2000; 2001]. To further study neurotensin interaction with Na(+), K(+)-ATPase, peptide effect on high affinity [(3)H]-ouabain binding was studied in cerebral cortex membranes. It was observed that neurotensin modified binding in a dose-dependent manner, leading to 80% decrease with 1 × 10(-4)M concentration. On the other hand, the single addition of 1 × 10(-6)M, 1 × 10(-5)M and 1 × 10(-4)M SR 48692 (Sanofi-Aventis, U.S., Inc.) decreased [(3)H]-ouabain binding (in %) to 87 ± 16; 74 ± 16 and 34 ± 17, respectively. Simultaneous addition of neurotensin and SR 48692 led to additive or synergic effects. Partial NTS2 agonist levocabastine inhibited [(3)H]-ouabain binding likewise. Saturation assays followed by Scatchard analyses showed that neurotensin increased K(d) value whereas failed to modify B(max) value, indicating a competitive type interaction of the peptide at Na(+), K(+)-ATPase ouabain site. At variance, SR 48692 decreased B(max) value whereas it did not modify K(d) value. [(3)H]-ouabain binding was also studied in cerebral cortex membranes obtained from rats injected i. p. 30 min earlier with 100 μg and 250 μg/kg SR 48692. It was observed that the 250 μg/kg SR 48692 dose led to 19% decrease in basal [(3)H]-ouabain binding. After SR 48692 treatments, addition of 1 × 10(-6)M led to additive or synergic effect. Results suggested that [(3)H]-ouabain binding inhibition by neurotensin hardly involves NTS1 receptor.

  1. Synthesis and Characterization of the Chiral Skeleton Cluster [NiRuMo(CO)5(μ3-S)(η5-C5H5)(η5-C5H4COCH3)

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The new chiral cluster [NiRuMo(CO)5(μ3-S)(η5-C5H5(5-C5H4COCH3)] 3 was synthesized by the reaction of precursor [CoRuMo(CO)8(μ3-S(η5-C5H4COCH3)] 1 with NiCp2 2 in refluxing THF. It was characterized by C/H elemental analysis, IR and 1H NMR. Molecular structure of cluster 3 was determined by single-crystal X-ray analyses. Crystal data: triclinic, space group Pī with the following crystallographic parameters: a = 7.9606(8), b = 8.5604(9), c = 14.779(2)A, = 93.908(2), = 105.057(2), = 101.463(2)°, C17H12O6MoNiRuS, Mr = 600.0(5), Z = 2, V = 945.5(2)A3, Dc = 2.108 g/cm3, = 2.568 mm-1, 2 max 2.00σ(I).

  2. 3,3′-Oxybi[isobenzofuran-1(3H-one

    Directory of Open Access Journals (Sweden)

    Wenkuan Li

    2009-10-01

    Full Text Available The title compound, C16H10O5, consists of two isobenzofuran-1(3H-one moieties which are linked by a bridging O atom. The two halves of the molecule display approximate non-crystallographic mirror symmetry. The dihedral angle between the two isobenzofuran-1(3H-one ring systems is 53.18 (6 Å. Two chiral carbon centres are observed in the compound, but their absolute configurations could not be determined. In the crystal structure, intermolecular C—H...O hydrogen bonds link molecules into zigzag chains along c. Additional C—H...O interactions connect adjacent chains.

  3. Inhibition of platelet (/sup 3/H)- imipramine binding by human plasma protein fractions

    Energy Technology Data Exchange (ETDEWEB)

    Strijewski, A.; Chudzik, J.; Tang, S.W.

    1988-01-01

    Inhibition of high-affinity (/sup 3/H)-imipramine binding to platelet membranes by human plasma fractions and isolated plasma proteins was investigated. Several plasma proteins were found to contribute to the observed apparent inhibition and this contribution was assessed in terms of inhibitor units. Alpha/sub 1/ acid glycoprotein, high density and low density lipoprotein, IgG and ..cap alpha../sub 1/-antitrypsin were identified as effective non-specific inhibitors. Alpha-1-acid glycoprotein was confirmed to be the most potent plasma protein inhibitor. Cohn fractions were evaluated for the presence of the postulated endocoid of (/sup 3/H)-imipramine binding site.

  4. 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.-

  5. Synthesis of [4,5-[sup 3]H-Leu[sup 4

    Energy Technology Data Exchange (ETDEWEB)

    Birtle, T.; White, A.J.; Woodhouse, D.P. (Cambridge Research Biochemicals, Billingham (United Kingdom))

    1994-04-01

    The synthesis of salmon calcitonin, a C-terminal amide dotriacontapeptide, labelled with tritium in the leucine residue at position 4 to a specific activity of 100Ci mmole[sup -1] is described. The peptide was assembled using the Fmoc-Polyamide solid-phase synthesis strategy incorporating tritium labelled leucine, in the form of Fmoc-4,5-[sup 3]H-leucine-pentafluorophenylester, at the appropriate stage. The Fmoc-4,5-[sup 3]H-leucine-pentafluorophenylester was prepared via a multistage synthesis from 4,5-dehydroleucine. (Author).

  6. Synthesis of a radiolabeled enniatin cyclodepsipeptide [{sup 3}H-methyl]JES 1798

    Energy Technology Data Exchange (ETDEWEB)

    Pleiss, U. [Bayer AG, Pharma Product Development, Drug Metabolism and Isotope Chemistry, Wuppertal (Germany); Turberg, A.; Harder, A.; Londershausen, M.; Jeschke, P. [Bayer AG, Agricultural Centre, Monheim (Germany); Boheim, G. [Ruhr Univ., Inst. for Cell Physiology, Bochum (Germany)

    1996-07-01

    For receptor binding studies and the elucidation of the mode of action of the potent anthelmintic compound JES 1798 a tritium labeled compound at very high specific activity was necessary. Tritium was introduced by methylation of the N-demethyl precursor JES 2314. The identity of [N-methyl-{sup 3}H]JES 1798 was determined by mass spectrometry. After synthesis and purification, 535 {mu}g [N-methyl-(3)H]JES 1798 were available at a specific activity of 84 Ci/mmol (3.11 TBq/mmol) as determined by mass spectrometry. The total activity was 80 mCi (2.96 GBq). (author).

  7. The role of Li+ ions in the gas phase dehydrohalogenation and dehydration reactions of i-C3H7Br and i-C3H7OH molecules studied by radiofrequency-guided ion beam techniques and ab initio methods

    Science.gov (United States)

    López, E.; Lucas, J. M.; de Andrés, J.; Albertí, M.; Bofill, J. M.; Aguilar, A.

    2017-04-01

    Gas phase reactive collisions between lithium ions and i-C3H7X (X = Br, OH) molecules have been studied under single collision conditions in the center of mass (CM) 0.01-10.00 eV energy range using a radiofrequency-guided ion beam apparatus. Mass spectrometry analysis of the products did show the presence of [C3H6—Li]+, [HX—Li]+, C3H7+, and C2H3+ as well as of the [Li—i-C3H7Br]+ adduct while [Li—i-C3H7OH]+ was hardly detected. For all these reactive processes, the corresponding cross sections have been measured in absolute units as a function of the CM collision energy. Quantum chemistry ab initio calculations done at the second order Möller Plesset level have provided relevant information on the topology of the potential energy surfaces (PESs) where a reaction takes place allowing the characterization of the stationary points on the respective PESs along their reaction pathways. The connectivity of the different stationary points localized on the PESs was ensured by using the intrinsic reaction coordinate (IRC) method, confirming the adiabatic character of the reactions. The main topology features of the reactive PESs, in the absence of dynamical calculations, were used to interpret at the qualitative level the behavior of the experimental excitations functions, evidencing the role played by the potential energy barriers on the experimental dynamics of the reactions. Reaction rate constants at 303.2 K for different reactions have been calculated from measured excitation functions.

  8. 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.

  9. (/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.

  10. 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.

  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. Crystal structures of [NEt3H]5[XCoIIW11O39]·3H2O (X = P or As)

    Science.gov (United States)

    Evans, H.T.; 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.

  13. Pentamidine analogs as inhibitors of [(3)H]MK-801 and [(3)H]ifenprodil binding to rat brain NMDA receptors.

    Science.gov (United States)

    Berger, Michael L; Maciejewska, Dorota; Vanden Eynde, Jean Jacques; Mottamal, Madhusoodanan; Żabiński, Jerzy; Kaźmierczak, Paweł; Rezler, Mateusz; Jarak, Ivana; Piantanida, Ivo; Karminski-Zamola, Grace; Mayence, Annie; Rebernik, Patrick; Kumar, Arvind; Ismail, Mohamed A; Boykin, David W; Huang, Tien L

    2015-08-01

    The anti-protozoal drug pentamidine is active against opportunistic Pneumocystis pneumonia, but in addition has several other biological targets, including the NMDA receptor (NR). Here we describe the inhibitory potencies of 76 pentamidine analogs at 2 binding sites of the NR, the channel binding site labeled with [(3)H]MK-801 and the [(3)H]ifenprodil binding site. Most analogs acted weaker at the ifenprodil than at the channel site. The spermine-sensitivity of NR inhibition by the majority of the compounds was reminiscent of other long-chain dicationic NR blockers. The potency of the parent compound as NR blocker was increased by modifying the heteroatoms in the bridge connecting the 2 benzamidine moieties and also by integrating the bridge into a seven-membered ring. Docking of the 45 most spermine-sensitive bisbenzamidines to a recently described acidic interface between the N-terminal domains of GluN1 and GluN2B mediating polyamine stimulation of the NR revealed the domain contributed by GluN1 as the most relevant target.

  14. 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.

  15. 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).

  16. Binding of (/sup 3/H)ethyl-. beta. -carboline-3-carboxylate to brain benzodiazepine receptors. Effect of drugs and anions

    Energy Technology Data Exchange (ETDEWEB)

    Williams, E.F.; Paul, S.M.; Rice, K.C.; Skolnick, P. (National Institutes of Health, Bethesda, MD (USA)); Cain, M. (Wisconsin Univ., Milwaukee (USA). Dept. of Chemistry)

    1981-09-28

    It is reported that in contrast to the changes in affinity of (/sup 3/H)benzodiazepines elicited by halide ions, barbiturates, and pyrazolopyridines, the apparent affinity of ..beta..-(/sup 3/H)CCE (ethyl-..beta..-carboline-3-carboxylate) is unaffected by these agents. Furthermore, Scatchard analysis of ..beta..-(/sup 3/H)CCE binding to cerebral cortical and cerebellar membranes revealed a significantly greater number of binding sites than was observed with either (/sup 3/H)diazepam or (/sup 3/H)flunitazepam, suggesting that at low concentrations benzodiazepines selectively label a subpopulation of the receptors labelled with ..beta..-(/sup 3/H)CCE. Alternatively, ..beta..-(/sup 3/H)CCE may bind to sites that are distinct from those labelled with (/sup 3/H)-benzodiazepines.

  17. The influence of water molecules on NdCl3·3C3H8O in the properties: A DFT study

    Science.gov (United States)

    Li, Na; Sun, Fuquan; Chen, Jiaping; Li, Kelu; Li, Shiyi; Zhao, Liang; Liu, Zhichang; Gao, Jinsen

    2017-09-01

    The catalytic activity of NdCl3-ROH-AlR3 is closely related to the amount of water in NdCl3. Usually NdCl3·6H2O has been dehydrated step by step to NdCl3·2H2O, however, the further dehydration process will be very difficult. In this work, we investigated the effect of added water molecules on structures and properties of NdCl3·3C3H8O, NdCl3·3C3H8O·H2O, and NdCl3·3C3H8O·2H2O, including bond length, angle, mulliken atomic charge, molecular electrostatic potential (MEP), HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) energy, and natural bond orbital (NBO). All properties were calculated by density functional theory (DFT) using B3PW91 functional and basis set of 6-31G++**/SDDALL. It was found that the bond length of Ndsbnd Cl bond and bond angles of Cl3-Ndsbnd Cl2, O9-Ndsbnd O5, Cl3-Ndsbnd Cl4 could be directly affected due to the addition of water molecule. The MEP analysis revealed that the molecular reaction site should be located around Cl atom. Furthermore, analysis of mulliken atomic charges showed that charge of Nd atom as the active center of the reaction changed from 0.956 to 1.238 and then to 1.301 after addition of one water molecule and two water molecules respectively. HOMO and LUMO orbitals were carried out to investigate the stability of the system, the addition of two water molecules in the system enhanced the electron flow in the system. Also, NBO analysis was further performed to supply an in depth insight into the electronic structure, the distribution of valence electrons and bond orders, which all changed after the addition of water molecule. Therefore, it was necessary to convert NdCl3·2H2O to NdCl3 in order to achieve a higher catalytic activity.

  18. Synthesis of thorn-like Ca2B2O5.H2O by hydrothermal method

    Indian Academy of Sciences (India)

    Guowei Zhao; Laiping Zhang; Jilin Wang; Jie Li; Qiongli Qian; Xinye Pan; Yunle Gu

    2011-10-01

    Thorn-like polycrystalline Ca2B2O5.H2O microspheres with nano-sized slices were synthesized using boric acid and calcium hydroxide as reactants by a facile catalyst-free hydrothermal method at low temperature. The products were characterized by means of X-ray powder diffraction (XRD) and scanning electron microscopy (SEM). The XRD pattern reveals that the Ca2B2O5.H2O is a monoclinic phase polycrystalline with cell parameters = 0.6702, = 0.5419 and = 0.3558 nm. SEM also reveals that the monoclinic phase polycrystalline are thornlike microspheres composed of many flakes with an average thickness of <100 nm. Possible reaction and growth mechanism were also discussed.

  19. σ-Silane, disilanyl, and [W(μ-H)Si(μ-H)W] bridging silylene complexes via the reactions of W(PMe3)4(η2-CH2PMe2)H with phenylsilanes.

    Science.gov (United States)

    Zuzek, Ashley A; Neary, Michelle C; Parkin, Gerard

    2014-12-31

    W(PMe3)4(η(2)-CH2PMe2)H reacts with PhSiH3 to give the first examples of diphenyldisilanyl compounds, W(PMe3)4(SiH2SiHPh2)H3 and W(PMe3)3(SiH2Ph)(SiH2SiHPh2)H4, via a mechanism that is proposed to involve migration of a SiHPh2 group to a silylene ligand. In addition to the formation of the aforementioned mononuclear compounds, the reaction of W(PMe3)4(η(2)-CH2PMe2)H with PhSiH3 also yields a novel dinuclear compound, [W(PMe3)2(SiHPh2)H2](μ-Si,P-SiHPhCH2PMe2)(μ-SiH2)[W(PMe3)3H2], which features a bridging silylene ligand that participates in 3-center-2-electron interactions with both tungsten centers. The bonding within the [W(μ-H)Si(μ-H)W] core can be described by a variety of resonance structures, some of which possess multiple bond character between tungsten and silicon. In this regard, [W(PMe3)2(SiHPh2)H2](μ-Si,P-SiHPhCH2PMe2)(μ-SiH2)[W(PMe3)3H2] possesses the shortest W-Si bond length reported. The corresponding reaction of W(PMe3)4(η(2)-CH2PMe2)H with Ph2SiH2 yields the σ-silane compound, W(PMe3)3(σ-HSiHPh2)H4.

  20. Volumetric Properties of the Mixture Trichloromethane CHCl3 + C5H10O Oxane (VMSD1212, LB3577_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 Trichloromethane CHCl3 + C5H10O Oxane (VMSD1212, LB3577_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  1. Volumetric Properties of the Mixture Trichloromethane CHCl3 + C5H10 Cyclopentane (VMSD1211, LB3567_V)

    Science.gov (United States)

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

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' 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 Trichloromethane CHCl3 + C5H10 Cyclopentane (VMSD1211, LB3567_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  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. 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 ...

  4. 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 ...

  5. File list: Oth.PSC.20.Zc3h11a.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.PSC.20.Zc3h11a.AllCell mm9 TFs and others Zc3h11a Pluripotent stem cell SRX1888...30 http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/assembled/Oth.PSC.20.Zc3h11a.AllCell.bed ...

  6. Thermal decomposition of Pr[(C5H8NS2)3(C12H8N2)

    Institute of Scientific and Technical Information of China (English)

    GUO; Pengjiang; JIAO; Baojuan; CHEN; Sanping; HU; Rongzu

    2005-01-01

    The thermal behavior of the complex Pr[(C5H8NS2)3(C12H8N2)] in a dry nitrogen flow was examined by TG-DTG analysis. The TG-DTG investigations indicated that Pr[(C5H8NS2)3-(C12H8N2)] was decomposed into Pr2S3 and deposited carbon in one step where Pr2S3 predominated in the final products. The results of non-isothermal kinetic calculations showed that the decomposition stage was the random nucleation and subsequent growth mechanism (n =nential constant In[A/s] was 7.8697. The empirical kinetics model equation was proposed as f(α) =3/2(1-α)[-ln(1-α)]1/3. The X-ray powder diffraction patterns of the thermal decomposition products at 800℃ under N2 atmosphere show that the product can be indexed to the cubic Pr2S3 phase. The transmission electron microscopy (TEM) of the final product reveals the particle appearance of a diameter within 40 nm. The experimental results show that the praseodymium sulfide nanocrystal can be prepared from thermal decomposition of Pr[(C5H8NS2)3(C12H8N2)].

  7. Synthesis, Characterization and Thermochemistry of 2MgO:B2O3:1.5H2O

    Institute of Scientific and Technical Information of China (English)

    刘志宏; 赵莉; 胡满成

    2003-01-01

    A new magnesium borate 2MgO·B2O3·1.5H2O has been synthesized by the method of phase transformation of double salt under hydrothermal condition and characterized by XRD, IR,Raman spectra and TG. The enthalpy of solution of 2MgO·B2O3·1.5H2O in 2.9842mol·L-1 HCl was determined. From a combination of this result with measured enthalpies of solution of H3BO3 in 2.9842 mol·L-1 HCl(aq.) and of MgO in (HCl+H3BO3) solution, together with the standard molar enthalpies of formation of MgO(s), H3BO3(s), and H2O(I), the standard molar enthalpy of formation of -(3019.76±1.79)kJ·mol-1 of 2MgO·B2O3·1.5H2O was obtained.

  8. Hydrothermal synthesis of WO3·0.5H2O microtubes with excellent photocatalytic properties

    Science.gov (United States)

    Wang, Xiaozhou; Meng, Xiuqing; Zhong, Mianzeng; Wu, Fengmin; Li, Jingbo

    2013-10-01

    Pyrochlore WO3 microtubes were synthesized via a hydrothermal method for the first time. In this process, thiourea was employed to overcome the hydrogen bonds on the rim of WO3·0.5H2O and hydroxylamine hydrochloride was used as a viscosity regulator. Field-emission scanning electron microscopy and high-resolution transmission electron microscopy observations revealed that large amounts of uniform single-crystal WO3·0.5H2O microtubes with diameters ranging from 100 to 300 nm and length of tens of micrometers were obtained. The thickness of the tube wall was about 40 nm. A possible rolling mechanism was proposed to explain the formation of the tubular structures, and the influence of thiourea and hydroxylamine hydrochloride on the uniform tubular morphology was discussed. The WO3·0.5H2O microtubes showed excellent photocatalytic activity toward the degradation of organic molecules such as RhB, which may find potential applications in the fields of photocatalysts, sensors and transistors.

  9. Synthesis, characterization and In vitro antimicrobial evaluation of novel pyrazolothiazol-4(5H-one derivatives

    Directory of Open Access Journals (Sweden)

    Priyanka L Gaikwad

    2013-01-01

    Full Text Available Antimicrobial screening of several novel pyrazolothiazol-4(5H-one derivatives (3a-3j has been performed. Reaction of aromatic aldehydes with aromatic ketones yielded starting chalcones (1a-1j which have been subsequently reacted with thiosemicarbazide for obtaining N-thiocarbamoylpyrazole derivatives (2a-2j. These were further cyclized to pyrazolothiazol-4(5H-one derivatives (3a-3j in the presence of ethylbromoacetate. The structures of newly synthesized compounds were confirmed by FTIR and 1 H NMR and/or MS. The in vitro antimicrobial activity of these compounds was evaluated against Gram positive bacteria, Gram negative bacteria and fungi. Their minimum inhibitory concentration was determined by tube dilution method. The results showed that most of the compounds have promising antimicrobial activity as compared to standard drugs. Among the test compounds, 2-[5(4-chlorophenyl-3-phenyl-4,5-dihydropyrazol-1-yl]-thiazol-4(5H-one (3e was found to show the most potent antimicrobial activity.

  10. Cholecystokinin-8 suppressed /sup 3/H-etorphine binding to rat brain opiate receptors

    Energy Technology Data Exchange (ETDEWEB)

    Wang, X.J.; Fan, S.G.; Ren, M.F.; Han, J.S.

    1989-01-01

    Radioreceptor assay (RRA) was adopted to analyze the influence of CCK-8 on /sup 3/H-etorphine binding to opiate receptors in rat brain synaptosomal membranes (P2). In the competition experiment CCK-8 suppressed the binding of /sup 3/H-etorphine. This effect was completely reversed by proglumide at 1/mu/M. Rosenthal analysis for saturation revealed two populations of /sup 3/H-etorphine binding sites. CCK-8 inhibited /sup 3/H-etorphine binding to the high affinity sites by an increase in Kd and decrease in Bmax without significant changes in the Kd and Bmax of the low affinity sites. This effect of CCK-8 was also completely reversed by proglumide at 1/mu/M. Unsulfated CCK-8 produced only a slight increase in Kd of the high affinity sites without affecting Bmax. The results suggest that CCK-8 might be capable of suppressing the high affinity opioid binding sites via the activation of CCK receptor.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. Domino [Pd]-Catalysis: One-Pot Synthesis of Isobenzofuran-1(3H)-ones.

    Science.gov (United States)

    Mahendar, Lodi; Satyanarayana, Gedu

    2016-09-02

    An efficient domino [Pd]-catalysis for the synthesis of isobenzofuran-1(3H)-ones is presented. The strategy shows broad substrate scope and is amenable to o-bromobenzyl tertiary/secondary/primary alcohols. Significantly, the method was applied to the synthesis of antiplatelet drug n-butyl phthalide and cytotoxic agonist 3a-[4'-methoxylbenzyl]-5,7-dimethoxyphthalide.

  18. 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-site concentration in the diaphragm, but in the heart ventricles, the K+-dependent 3-O-methylfluorescein phosphatase activity increased by 20% (P less than 0.001). Muscle inactivity induced by denervation, plaster immobilisation or tenotomy reduced the [3H]ouabain-binding-site concentration by 20-30% (P less than 0...

  19. 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.

  20. 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.

  1. 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.

  2. Continuous flow photolysis of aryl azides: Preparation of 3H-azepinones.

    Science.gov (United States)

    Bou-Hamdan, Farhan R; Lévesque, François; O'Brien, Alexander G; Seeberger, Peter H

    2011-01-01

    Photolysis of aryl azides to give nitrenes, and their subsequent rearrangement in the presence of water to give 3H-azepinones, is performed in continuous flow in a photoreactor constructed of fluorinated ethylene polymer (FEP) tubing. Fine tuning of the reaction conditions using the flow reactor allowed minimization of secondary photochemical reactions.

  3. Continuous flow photolysis of aryl azides: Preparation of 3H-azepinones

    Directory of Open Access Journals (Sweden)

    Farhan R. Bou-Hamdan

    2011-08-01

    Full Text Available Photolysis of aryl azides to give nitrenes, and their subsequent rearrangement in the presence of water to give 3H-azepinones, is performed in continuous flow in a photoreactor constructed of fluorinated ethylene polymer (FEP tubing. Fine tuning of the reaction conditions using the flow reactor allowed minimization of secondary photochemical reactions.

  4. 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.

  5. Identification of presynaptic serotonin autoreceptors using a new ligand: 3H-PAT.

    Science.gov (United States)

    Gozlan, H; El Mestikawy, S; Pichat, L; Glowinski, J; Hamon, M

    Binding studies with appropriate labelled ligands have revealed the existence of two types of serotonin (5-HT) receptor, 5-HT1 and 5-HT2, in the central nervous system of mammals. The 5-HT1 type is characterized by a higher affinity for agonists than for antagonists, whereas the 5-HT2 type binds preferentially to antagonists. However, neither of these receptor types apparently corresponds to the presynaptic autoreceptor controlling 5-HT release. In an attempt to identify the presynaptic autoreceptor directly, we synthesized the tritiated derivative of 8-hydroxy-2-(di-n-propylamino) tetralin (PAT), a new tetralin derivative with potent 5-HT agonist properties and carried out binding studies with rat brain membranes. As we report here, in the hippocampus, the properties of 3H-PAT binding sites correspond closely to those of 5-HT1 sites. In contrast, in the striatum, 3H-PAT binding sites exhibit a subcellular distribution and pharmacological characteristics usually associated with presynaptic autoreceptors. Furthermore, a marked loss of 3H-PAT binding sites occurs in the striatum (but not in the hippocampus) after the selective degeneration of serotoninergic fibres in 5,7-hydroxytryptamine (5,7-HT)-treated rats. Conversely, the sprouting of additional 5-HT terminals in the brain stem of adult rats treated at birth with 5,7-HT is associated with an increased density of 3H-PAT binding sites in this region. 3H-PAT thus seems to be a useful ligand for studying the biochemical and pharmacological characteristics of presynaptic autoreceptors in selected regions of rat brain.

  6. 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.

  7. 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.

  8. Fe3O4@MCM-48-SO3H:An efficient magnetically separable nanocatalyst for the synthesis of benzo[f]chromeno[2,3-d]pyrimidinones

    Institute of Scientific and Technical Information of China (English)

    Hassan Kefayati; Mostafa Golshekan; Shahab Shariati; Mahsa Bagheri

    2015-01-01

    Sulfonic acid groups were grafted onto three different types of synthesized magnetic nanoparticles, namely Fe3O4, Fe3O4@SiO2, and Fe3O4@MCM‐48. The sulfonic acid‐functionalized nanoparticles were evaluated as catalysts for the synthesis of 5‐aryl‐1H‐benzo[f]chromeno[2,3‐d]pyrimidine‐2,4(3H,5H)‐dione derivatives in terms of activity and recyclability. Their catalytic activities were compared with that of the homogeneous acid catalyst 1‐methylimidazolium hydrogen sulfate ([HMIm][HSO4]). The activity of Fe3O4@MCM‐48–SO3H was comparable to those of the other heter‐ogeneous and homogeneous catalysts.

  9. [3H]-L-2-amino-4-phosphonobutyrate labels a metabotropic glutamate receptor, mGluR4a.

    OpenAIRE

    Eriksen, L; Thomsen, C.

    1995-01-01

    1. The ligand binding site of subtype mGluR4a of the metabotropic glutamate receptor family was characterized by using [3H]-L-2-amino-4-phosphonobutyrate ([3H]-L-AP4) binding. 2. Specific [3H]-L-AP4 binding to membranes prepared from baby hamster kidney (BHK) cells transfected with a vector encoding mGluR4a accounted for 60-70% of the total binding whereas no specific binding of [3H]-L-AP4 was observed to membranes prepared from BHK cells expressing the vector only. 3. Specific binding of [3H...

  10. C2H2 adsorption in three isostructural metal-organic frameworks: boosting C2H2 uptake by rational arrangement of nitrogen sites.

    Science.gov (United States)

    Song, Chengling; Jiao, Jingjing; Lin, Qiyi; Liu, Huimin; He, Yabing

    2016-03-21

    Replacing the benzene spacer in the organic linker 5,5'-(benzene-1,4-diyl)diisophthalate with the nitrogen containing heterocyclic rings, namely, pyrazine, pyridazine, and pyrimidine results in three organic linkers, which were reacted with copper ions under solvothermal conditions to form three isostructural metal-organic frameworks (ZJNU-46, ZJNU-47 and ZJNU-48) exhibiting exceptionally high sorption capacities with regard to acetylene due to the simultaneous immobilization of open metal sites and Lewis basic nitrogen sites in the frameworks. At 1 atm and 295 K, the gravimetric C2H2 adsorption uptakes reach 187, 213 and 193 cm(3) (STP) g(-1) for these three compounds. The gravimetric C2H2 adsorption amount of ZJNU-47a is the second highest reported for MOF materials. Notably, despite their same porosities, and densities of open metal sites and uncoordinated nitrogen sites, distinctly different C2H2 adsorption capacities were observed for these three compounds, which we think are mainly associated with the difference in the relative position of nitrogen atoms leading to different binding affinities of the frameworks towards C2H2 guest molecules, and thus different C2H2 adsorptions. This work demonstrates that the rational arrangement of open nitrogen sites will favorably improve the C2H2 uptake and thus provides useful information for future design of porous MOFs with high acetylene storage capacities.

  11. Electro- and magnetocommunication in [5,5]ditrovacenyls, [(eta7-C7H7)V(eta5-C5H4-X-eta5-C5H4)V(eta7-C7H7)], mediated by the spacers X = (Z)-CH=CH-, (E)-CH=CH-, > C=CH2, -CH2CH2-, and -CH2-.

    Science.gov (United States)

    Elschenbroich, Christoph; Plackmeyer, Jörn; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Pebler, Jürgen; Burghaus, Olaf

    2005-12-09

    Five new paramagnetic dinuclear complexes containing [5]trovacenyl groups, (eta7-C7H7)V(eta5-C5H4-), have been prepared and characterized, including by single-crystal X-ray diffraction. As intervening spacers, ethenediyl units in the geminal and vicinal (Z)- and (E)-bridging modes as well as methanediyl and ethanediyl units have been included with the aim of studying their propensity to transmit electric and magnetic information. It is found that redox splitting of consecutive electron-transfer steps is resolved for reduction (0-->1- -->2-) only, unsaturation of the C2 bridge not being requisite, since the -CH2CH2- spacer also gives rise to a small redox splitting. Magnetic communication is quantified in terms of the exchange coupling constant J, accessible from the EPR hyperfine pattern in solution and from magnetic susceptometry in the solid state. The results obtained from these methods generally differ; this fact is not surprising in view of conformational differences in the respective states of aggregation. It is concluded that orientation-dependent mechanisms of spin-spin interactions (pi-orbital overlap, hyperconjugation) contribute extensively although, as implied by sizeable J values for -CH2- and -C2H4- linked di[5]trovacenyl groups, coupling mediated by the sigma-orbital chain must also be considered.

  12. Hydrogen for fluorine exchange in C6F6 and C6F5H by monomeric [1,3,4-(Me3C)3C5H2]2CeH: experimental and computational studies.

    Science.gov (United States)

    Maron, Laurent; Werkema, Evan L; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A

    2005-01-12

    The net reaction of monomeric Cp'(2)CeH [Cp' = 1,3,4-(Me(3)C)(3)(C(5)H(2))] in C(6)D(6) with C(6)F(6) is Cp'(2)CeF, H(2), and tetrafluorobenzyne. The pentafluorophenylmetallocene, Cp'(2)Ce(C(6)F(5)), is formed as an intermediate that decomposes slowly to Cp'(2)CeF and C(6)F(4) (tetrafluorobenzyne), and the latter is trapped by the solvent C(6)D(6) as a [2+4] cycloadduct. In C(6)F(5)H, the final products are also Cp'(2)CeF and H(2), which are formed from the intermediates Cp'(2)Ce(C(6)F(5)) and Cp'(2)Ce(2,3,5,6-C(6)F(4)H) and from an unidentified metallocene of cerium and the [2+4] cycloadducts of tetra- and trifluorobenzyne with C(6)D(6). The hydride, fluoride, and pentafluorophenylmetallocenes are isolated and characterized by X-ray crystallography. DFT(B3PW91) calculations have been used to explore the pathways leading to the observed products of the exergonic reactions. A key step is a H/F exchange reaction which transforms C(6)F(6) and the cerium hydride into C(6)F(5)H and Cp'(2)CeF. This reaction starts by an eta(1)-F-C(6)F(5) interaction, which serves as a hook. The reaction proceeds via a sigma bond metathesis where the fluorine ortho to the hook migrates toward H with a relatively low activation energy. All products observed experimentally are accommodated by pathways that involve C-F and C-H bond cleavages.

  13. Crystal Structure of Rare Earth Acrylates[Ln2(CH2 CHCOO)6·3H2O]·3H2O(Ln=Ce,Nd)%两种丙烯酸盐[Ln2(CH2CHCOO)6·3H2O]·3H2O(Ln=Ce;Nd)的单晶结构

    Institute of Scientific and Technical Information of China (English)

    钱玉英; 褚晓东; 姚有为

    2011-01-01

    Crystal strudures of [Ln2 (CH2CHCOO)6·3H2O](Ln = Ce,Nd) were characterized by using X - ray single crystal analysis. The title compounds are iso - structural: monoclime system, apace group P21/c with a= 1.02099 (13)nm,b = 1.52294(19) nm,c = 2.0325(3) nm,β= 100.838 (2)°, V = 3.1039 (7) nm3 for [ Ce2 ( CH2CHCOO) 6·3H2O] ;α=1.01978(8) nm, b=1.50979 (12) nm, c=2.02712 (16) nm,β=100.881 (1)°, V = 3.0650 (4) nm3 for [ND2 (CH2CHCOO)6·3H2O]. There are two independent Ln ions in the asymmetric unit, which are located in nona - coor-dinated and deca - coordinated environments respectively. The two Ln ions are bridged togetber by two μ2 - oxygen atoms of two independent acrylates, resulting in left - handed and right - handed helical chains. Hydrogen network are built up from helical chains and water molecules located between two neighbor chains. giying rise to three - dimensional stack.%采用X射线单晶衍射法,解析了[Ln2(CH:CHCOO)6·3H2O]·3H2O(Ln=Ce;Nd)的结构.结果表明标题化合物属同构:属单斜晶系(空间群P2(1)/c);[Ce2(CH2CHCOO)6·3H2O]·3H2O晶胞参数α=1.02099(13)nm,b=1.52294(19)nm,c=2.0325(3)nin,/3=100.838(2)°,V=3.1039(7)nm3;[Nd2(CH2CHCOO)6·3H2O]·3H2O晶胞参数α=1.01978(8)nm,6=1.50979(12)nm,c=2.02712(16)nm,β=100.881(1)°,V=3.0650(4)nm3.化合物不对称结构单元中含有两个独立的稀土中心离子,分别处九、十配位环境中.两个稀土离子由两个独立的丙烯酸μ2-氧桥联形成左手和右手螺旋链.螺旋链通过链间的水分子形成氢键网络,堆垛成三维结构.

  14. Combustion Synthesis in a Mechanically Activated Mg-C-TiO2-H3BO3 System

    Science.gov (United States)

    Aminikia, B.; Tayebifard, S. A.; Youzbashi, A. A.

    2012-06-01

    TiC-TiB2 nanocomposite was fabricated by self-propagating high-temperature synthesis (SHS) of mechanically milled powders. H3BO3, TiO2, Mg, and C as starting materials were milled for 0.5, 1, and 3 h then pressed to form pellets. Green compacts were placed in a tube furnace which had been preheated to three different temperatures of 900, 1000, and 1100 °C with argon atmosphere, for the synthesis. The prepared samples were studied by XRD, SEM, and TEM analytical technique. TiC and TiB2 were not formed during milling process. According to the XRD patterns of synthesized samples, ball milling for 0.5 h is the optimum time for mechanical activation of the mixed powders. Further investigation indicated that 900 °C is the best temperature for the synthesis of this mixture. By using Williamson-Hall method, the average crystallite sizes of TiB2 and TiC were calculated 40.7 and 75.6 nm, respectively, which were confirmed by TEM images.

  15. Selective reversible hydrogenation of Mg(B3H8)2/MgH2 to Mg(BH4)2: pathway to reversible borane-based hydrogen storage?

    Science.gov (United States)

    Chong, Marina; Matsuo, Motoaki; Orimo, Shin-ichi; Autrey, Tom; Jensen, Craig M

    2015-04-20

    Mg(B3H8)2·2THF (THF = tetrahydrofuran) was prepared by the addition of BH3·THF to Mg/Hg amalgam. Heating a 1:2 molar mixture of Mg(B3H8)2·2THF and MgH2 to 200 °C under 5 MPa H2 for 2 h leads to nearly quantitative conversion to Mg(BH4)2. The differential scanning calorimetry profile of the reaction measured under 5 MPa H2 shows an initial endothermic feature at ∼65 °C for a phase change of the compound followed by a broad exothermic feature that reaches a maximum at 130 °C corresponding to the hydrogenation of Mg(B3H8)2 to Mg(BH4)2. Heating Mg(B3H8)2·2THF to 200 °C under 5 MPa H2 pressure in the absence of MgH2 gives predominantly MgB12H12 as well as significant amounts of MgB10H10 and Mg(BH4)2. Hydrogenation of a mixture of Mg(B3H8)2·2THF and LiH in a 1:4 molar ratio at 130 °C under 5 MPa H2 yields [B12H12](2-) in addition to [BH4](-), while a 1:4 molar ratio of Mg(B3H8)2·2THF and NaH yields [BH4](-) and a new borane, likely [B2H7](-). Hydrogenation of the NaH-containing mixture at 130 °C gives primarily the alternative borane, indicating it is an intermediate in the two-step conversion of the triborane to [BH4](-). The solvent-free triborane Mg(B3H8)2, derived from the low-temperature dehydrogenation of Mg(BH4)2, also produces Mg(BH4)2, but higher temperature and pressure is required to effect the complete transformation of the Mg(B3H8)2. These results show that the reversible transformation of the triborane depends on the stability of the metal hydride. The more stable the metal hydride, that is, LiH > NaH > MgH2, the lower is the "regeneration" efficiency.

  16. 3-Hydroxy-4,5-dimethyl-2(5H)-furanone (Sotolon) causing an off-flavor: elucidation of its formation pathways during storage of citrus soft drinks.

    Science.gov (United States)

    König, T; Gutsche, B; Hartl, M; Hübscher, R; Schreier, P; Schwab, W

    1999-08-01

    Gas chromatography/olfactometry (GCO) and gas chromatography-mass spectrometry (HRGC-MS) revealed 3-hydroxy-4, 5-dimethyl-2(5H)-furanone (sotolon) to be responsible for the "burnt" and "spicy" off-flavor observed in citrus soft drinks during storage. Among the ingredients of citrus soft drinks, ethanol and ascorbic acid were identified as the essential precursors of sotolon. Two formation pathways were postulated by studies using (2)H (D)- and (13)C-labeled ethanol and ascorbic acid; i.e., sotolon is formed from two molecules of ethanol and carbons 2 and 3 of ascorbic acid (pathway 1), or it is generated from one molecule of ethanol and carbons 3-6 of ascorbic acid (pathway 2).

  17. A microporous metal-organic framework for selective C2H2 and CO2 separation

    Science.gov (United States)

    Lin, Rong-Guang; Lin, Rui-Biao; Chen, Banglin

    2017-08-01

    A quartzlike metal-organic framework with interesting one dimensional channel has been synthesized. It exhibits considerable acetylene and carbon dioxide uptake of 41.5 and 24.6 cm3 g-1, respectively, and relatively high selectivity for separation of C2H2/C2H4, C2H2/CH4, CO2/CH4 and CO2/N2 at ambient condition.

  18. Crystal Structure, Spectral Studies, and Hirshfeld Surfaces Analysis of 5-Methyl-5H-dibenzo[b,f]azepine and 5-(4-Methylbenzyl-5H-dibenzo[b,f]azepine

    Directory of Open Access Journals (Sweden)

    Madan Kumar Shankar

    2014-01-01

    Full Text Available The compounds, 5-methyl-5H-dibenzo[b,f]azepine (1 and 5-(4-methylbenzyl-5H-dibenzo[b,f]azepine (2, were synthesized and characterized by spectral studies, and finally confirmed by single crystal X-ray diffraction method. The compound 1 crystallizes in the orthorhombic crystal system in Pca21 space group, having cell parameters a=11.5681 (18 Å, b=11.8958 (18 Å, c=8.0342 (13 Å, and Z=4 and V=1105.6 (3 Å3. And the compound 2 crystallizes in the orthorhombic crystal system and space group Pbca, with cell parameters a=16.5858 (5 Å, b=8.4947 (2 Å, c=23.1733 (7 Å, and Z=8 and V=3264.92 (16 Å3. The azepine ring of both molecules 1 and 2 adopts boat conformation with nitrogen atom showing maximum deviations of 0.483 (2 Å and 0.5025 (10 Å, respectively. The C–H⋯π short contacts were observed. The dihedral angle between fused benzene rings to the azepine motif is 47.1 (2° for compound 1 and 52.59 (6° for compound 2, respectively. The short contacts were analyzed and Hirshfeld surfaces computational method for both molecules revealed that the major contribution is from C⋯H and H⋯H intercontacts.

  19. Synthesis of high specific activity (1- sup 3 H) farnesyl pyrophosphate

    Energy Technology Data Exchange (ETDEWEB)

    Saljoughian, M.; Morimoto, H.; Williams, P.G.

    1991-08-01

    The synthesis of tritiated farnesyl pyrophosphate with high specific activity is reported. trans-trans Farnesol was oxidized to the corresponding aldehyde followed by reduction with lithium aluminium tritide (5%-{sup 3}H) to give trans-trans (1-{sup 3}H)farnesol. The specific radioactivity of the alcohol was determined from its triphenylsilane derivative, prepared under very mild conditions. The tritiated alcohol was phosphorylated by initial conversion to an allylic halide, and subsequent treatment of the halide with tris-tetra-n-butylammonium hydrogen pyrophosphate. The hydride procedure followed in this work has advantages over existing methods for the synthesis of tritiated farnesyl pyrophosphate, with the possibility of higher specific activity and a much higher yield obtained. 10 refs., 3 figs.

  20. Estimated quantities of residual materials in a KBS-3H repository at Olkiluoto

    Energy Technology Data Exchange (ETDEWEB)

    Hagros, Annika (Sannio and Riekkola OY (Finland))

    2008-12-15

    The quantities of residual materials in a KBS-3H type repository have been estimated in this report. The repository is assumed to be constructed at Olkiluoto in Eurajoki, Western Finland. Both the total quantities of the materials introduced into the repository and the quantities of materials that remain in the repository after closure have been calculated. The calculations are largely based on a similar work regarding the material quantities in the Finnish KBS-3V repository and the main goal has been to identify the differences between the KBS-3H and KBS-3V repositories with respect to the type and quantities of residual materials. As the design of the KBS-3H repository is not final yet, the results are only preliminary. Several alternative designs were assumed in the calculations, resulting in different total quantities of materials. The design alternatives that had the greatest effect on the total material quantities were the two different tunnel backfill options, bentonite-crushed rock and Friedland clay. If Friedland clay is used instead of a bentonite-crushed rock mixture, the total quantity of pyrite remaining in the repository is 20 times larger and the quantities of organic materials and gypsum are also increased significantly. The other design alternatives did not have a substantial effect on the total material quantities. The remaining quantity of cement can be reduced by some 20% by selecting the silica grouting alternative in the sealing of the rock mass and low-pH cement in the shotcreting of the repository, instead of using the ordinary cement alternatives. If the total quantity of steel should be minimised, the use of the DAWE design alternative would be better than the Basic Design, although the total reduction would be less than 10%. The main difference between the different drift end plug alternatives is related to the total remaining quantity of silica, which is some 80% smaller if the rock plug is used instead of the LHHP (Low Heat High

  1. Trypanosoma cruzi infection in offspring born to chagasic C3H/He mice

    Directory of Open Access Journals (Sweden)

    Silvana Marques de Araújo

    1996-04-01

    Full Text Available This study reports the effects of Trypanosoma cruzi infection induced in C3H/He male and female mice born to chagasic mice. An experimental model was established infecting female C3H/He mice with a low virulent T. cruzi clone. In this model, mating, fertilization, pregnancy evolution and delivery was carried out successfully. The offspring was infected at four, six and eigth weeks of age. The results showed that the offspring born to chagasic mothers present decreased resistance to acquired T. cruzi infection. This decreased resistance was expressed by higher levels of parasitaemia and higher mortality rates in offspring born to chagasic mothers than in controls. Age and sex were shown to be important factors of this phenomenon. The results suggest that maternal immune system products can modulate the immune response of the offspring.

  2. Characterization of (/sup 3/H)5-hydroxytryptamine uptake within rat cerebrovascular tree

    Energy Technology Data Exchange (ETDEWEB)

    Amenta, F.; Rossi, M. de; Mione, M.C.; Geppetti, P.

    1985-06-07

    The in vitro uptake of tritiated serotonin ((/sup 3/H)5HT) was studied in a preparation of rat extracerebral arteries. The uptake of (/sup 3/H)5HT was time- and temperature-dependent and of high affinity; linear regression analysis gave a Ksub(m) value of 6.48 X 10/sup 7/ M for the specific uptake. Histoautoradiographic studies showed the highest density of silver grains at the level of the adventitial-medial border of the basilar artery. Fluoxetine inhibited the accumulation of silver grains within the adventitial-medial border in the blood vessel studied. The present data further support the view that a neuronal serotonergic system may play a role in the control of blood flow in the cerebrovascular tree.

  3. Ochratoxin A labelled with /sup 14/C or /sup 3/H in the phenylalanine moiety

    Energy Technology Data Exchange (ETDEWEB)

    Hult, K.

    1986-08-01

    Ochratoxin A is a mycotoxin produced by Aspergillus and Penicillium moulds. The toxin is an amide formed between phenylalanine and the isocoumarin acid ochratoxin ..cap alpha... Ochratoxin A with high specific radioactivity can be obtained, by substitution of the natural phenylalanine for /sup 14/C of /sup 3/H-labelled phenylalanine. Labelled ochratoxin A was formed by condensation of labelled phenylalanine ethylester with an anhydride derivative of ochratoxin ..cap alpha... The intermediate O-acetyl ochratoxin C was hydrolysed with pig liver esterase and chymotrypsin to afford ochratoxin A. The overall yield of radioactivity was 50%. Specific activities up to 500 Ci/mol and 100 ci/mmol for /sup 14/C and /sup 3/H respectively were obtained.

  4. Fluoride stimulates ( sup 3 H)thymidine incorporation and alkaline phosphatase production by human osteoblasts

    Energy Technology Data Exchange (ETDEWEB)

    Khokher, M.A.; Dandona, P. (Royal Free Hospital, London (England))

    1990-11-01

    The effect of sodium fluoride on alkaline phosphatase (ALP) release and ({sup 3}H)thymidine uptake by human osteoblasts in culture was investigated. Sodium fluoride stimulated both ALP release and ({sup 3}H)thymidine uptake at concentrations of sodium fluoride greater than 250 mumol/L. This stimulation was similar in magnitude to that induced by 1,25-dihydroxycholecalciferol. The fluoride-induced increase in ALP was inhibited by verapamil, a calcium channel blocker. We conclude that sodium fluoride stimulates osteoblasts to proliferate and to release ALP. This stimulation by fluoride is dependent on calcium influx. Fluoride-induced stimulation of human osteoblasts may be relevant to its effect in enhancing bone formation in patients with osteoporosis.

  5. Benchmark calculation of n-3H and p-3He scattering

    CERN Document Server

    Viviani, M; Lazauskas, R; Carbonell, J; Fonseca, A C; Kievsky, A; Marcucci, L E; Rosati, S

    2011-01-01

    The n-3H and p-3He elastic phase-shifts below the trinucleon disintegration thresholds are calculated by solving the 4-nucleon problem with three different realistic nucleon-nucleon interactions (the I-N3LO model by Entem and Machleidt, the Argonne v18 potential model, and a low-k model derived from the CD-Bonn potential). Three different methods -- Alt, Grassberger and Sandhas, Hyperspherical Harmonics, and Faddeev-Yakubovsky -- have been used and their respective results are compared. For both n-3H and p-3He we observe a rather good agreement between the three different theoretical methods. We also compare the theoretical predictions with the available experimental data, confirming the large underprediction of the p-3He analyzing power.

  6. In Situ Hall Effect Monitoring of Vacuum Annealing of In2O3:H Thin Films

    Directory of Open Access Journals (Sweden)

    Hans F. Wardenga

    2015-02-01

    Full Text Available Hydrogen doped In2O3 thin films were prepared by room temperature sputter deposition with the addition of H2O to the sputter gas. By subsequent vacuum annealing, the films obtain high mobility up to 90 cm2/Vs. The films were analyzed in situ by X-ray photoelectron spectroscopy (XPS and ex situ by X-ray diffraction (XRD, optical transmission and Hall effect measurements. Furthermore, we present results from in situ Hall effect measurements during vacuum annealing of In2O3:H films, revealing distinct dependence of carrier concentration and mobility with time at different annealing temperatures. We suggest hydrogen passivation of grain boundaries as the main reason for the high mobility obtained with In2O3:H films.

  7. Reduced binding of 3H-spiroperidol to lymphocyte in Wilson's disease.

    Science.gov (United States)

    Członkowski, A; Członkowska, A

    1984-05-01

    Biochemical studies of CSF from patients with Wilson's disease (WD) have increased that alterations in the state of dopaminergic and serotoninergic systems are similar to those manifested in Parkinson's disease. Recently, the density of dopaminergic receptors on lymphocytes has been found to be diminished in Parkinson's disease. In the present study, 3H-spiroperidol binding was evaluated in lymphocytes acquired from 12 patients suffering from WD, as compared to blood donors. A significant decrease in the number of binding sites (Bmax) was observed in the lymphocytes of the WD patients. There was no clear relationship between clinical status, age and duration of the disease and the alterations in receptor density. The mechanism underlying the decrease in lymphocyte 3H-spiroperidol binding sites in WD demands clarification.

  8. Elastic p-3He and n-3H scattering with two- and three-body forces

    CERN Document Server

    Pfitzinger, B; Hale, G M

    2000-01-01

    We report on a microscopic calculation of n-3H and p-3He scattering employing the Argonne v_{18} and v_8' nucleon-nucleon potentials with and without additional three-nucleon force. An R-matrix analysis of the p-3He and n-3H scattering data is presented. Comparisons are made for the phase shifts and a selection of measurements in both scattering systems. Differences between our calculation and the R-matrix results or the experimental data can be attributed to only two partial waves (3P0 and 3P2). We find the effect of the Urbana IX and the Texas-Los Alamos three-nucleon forces on the phase shifts to be negligible.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-12-22

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

  10. On the Meshing Efficiency of 2K-2H Type Planetary Gear Reducer

    Directory of Open Access Journals (Sweden)

    Long-Chang Hsieh

    2013-01-01

    Full Text Available This paper proposes 2K–2H type planetary gear reducer and analyzes its meshing efficiency. First, according to the concept of train value equation, the kinematic design of 2K–2H type planetary gear reducers is carried out. Three 2K–2H type planetary gear reducers are designed to illustrate the design algorithm. Then, based on the latent power theorem, the meshing efficiency equation of 2K–2H type planetary gear reducer is derived. According to the meshing efficiency equation, the meshing efficiencies of 2K–2H type planetary gear reducers are analyzed. The 2K–2H type planetary gear reducer has the following characteristics. (1 There is a power circulation in 2K–2H type planetary gear reducer. (2 Larger reduction ratio makes less meshing efficiency. (3 For the same reduction ratio, larger value ξ42 (ξα will get better meshing efficiency. (4 For 2K–2H type planetary gear reducer, the quality of gears is an important factor. (5 The efficiency of gears manufactured by grinding is only improved by 1.5%; however, meshing efficiency of 2K–2H type planetary gear reducer is improved by 28%~44.8%.

  11. On the Meshing Efficiency of 2K-2H Type Planetary Gear Reducer

    OpenAIRE

    Long-Chang Hsieh; Hsiu-Chen Tang

    2013-01-01

    This paper proposes 2K-2H type planetary gear reducer and analyzes its meshing efficiency. First, according to the concept of train value equation, the kinematic design of 2K-2H type planetary gear reducers is carried out. Three 2K-2H type planetary gear reducers are designed to illustrate the design algorithm. Then, based on the latent power theorem, the meshing efficiency equation of 2K-2H type planetary gear reducer is derived. According to the meshing efficiency equation, the meshing effi...

  12. Hydrolysis of Cephanone in SDS/n-C5H11OH/H2O System

    Institute of Scientific and Technical Information of China (English)

    QIAN, Jun-Hong; GUO, Rong

    2003-01-01

    The hydrolysis of cephanone in SDS micelle and SDS/n-C5H11OH/H2O O/W microemulsion was studied through Uv-vis absorption spectroscopy. The change of pH value in the hydrolysis of cephanone was determined. The result shows that pH value decreases in the process of the hydrolysis, and that the SDS micelle and SDS/n-CsH11OH/H2O O/W microemulsion accelerate the hydrolysis of cephanone compared with water.

  13. Luminescent Nitro Derivatives of 5,11-Dehydro-5H, 11H-benzotriazolo(2,1- alpha)benzotriazole

    Science.gov (United States)

    1992-08-07

    2,1-a]benzotriazole lib were obtained from 3,4- diaminotoluene 12 and 4,5-dimethyl-l,2-phenylenediamine 13 via the inter- 5 mediate dimethyl and...the mixture was poured into ice- water . A precipitate was isolated and recrystallized from dimethylformamide to give 2,4,8-tn- nitro-5,11-dehydro-5H...stored for 4 h. An orange-red solid wa! isolated, washed with water , and dried. Purification by column chromatography (silica gel, dichloro- methane

  14. Hydrotrope-Solubilization Action of Urea in CTAB/n-C5H11-OH/H2 O System

    Institute of Scientific and Technical Information of China (English)

    GUO Rong; ZOU Ai-Hua; YANG Han-Min

    2001-01-01

    Urea can enhance the aqueous solubility of surfactant CTAB (hexadecyltrimethylammonium bromide) when it shows the hydrotrope action.It will show the hydrotrope-solubilization action when the solubilized amount microemulsion and that of n-C5H11OH in O/W increased The mechanism of the hydrotrope-solubilization ac-tion of urea is the increase of the stability of W/O and O/Wmicroemulsion and structural transition from the lamellar liq-uid crystalline phase to the bicontinuous structure.

  15. 3-Hydroxy-4, 5-dimethyl-2 (5 H)-furanone levels in fortified Madeira wines: Relationship to sugar content

    OpenAIRE

    2004-01-01

    The maturation of Madeira wines usually involves exposure to relatively high temperatures and humidity levels >70%, which affect the aroma and flavor composition and lead to the formation of the typical and characteristic bouquet of these wines. To estimate the levels of sotolon [3-hydroxy4,5-dimethyl-2(5 H )-furanone] and their behavior over time, 86 aged Madeira wines samples (1-25 years old), with different sugar concentrations, respectively, 90 g L-1 for Boal, 110 g L-1 for Malvazia, 25 g...

  16. Characterization results for the October 2015-Tank for farm 3H evaporator overhead examples

    Energy Technology Data Exchange (ETDEWEB)

    Nicholson, J. C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-01-28

    This report contains the radioanalytical results of the 3H evaporator overhead sample received at SRNL on October 13, 2015. Specifically, concentrations of 137Cs, 90Sr, and 129I are reported and compared to the corresponding Waste Acceptance Criteria (WAC) limits of the Effluent Treatment Project (ETP) Waste Water Collection Tank (WWCT) (rev. 6). All of the radionuclide concentrations in the sample were found to be in compliance with the ETP WAC limits.

  17. Characterization Results For The 2013 HTF 3H Evaporator Overhead Samples

    Energy Technology Data Exchange (ETDEWEB)

    Washington, A. L. II

    2013-12-04

    This report tabulates the radiochemical analysis of the 3H evaporator overhead sample for {sup 137}Cs, {sup 90}Sr, and {sup 129}I to meet the requirements in the Effluent Treatment Project (ETP) Waste Acceptance Criteria (WAC) (rev. 6). This report identifies the sample receipt date, preparation method, and analysis performed in the accumulation of the listed values. All data was found to be within the ETP WAC (rev. 6) specification for the Waste Water Collection Tanks (WWCT).

  18. Characteristics of (3H)2-Deoxyglucose Uptake by Slices of Rat Cerebral Cortex

    Science.gov (United States)

    1983-05-17

    humans skeletal muscle glycogen is 1% of its wet weight ( Lehninger , 1975). The glycogen content of human liver can be approximately 6% of the wet...Hexose is cotransported with sodium in the intestine and in the kidney ( Lehninger , 1975). To see whether sodium, or any other ions played a role in [3H...classified as facilitated transport ( Lehninger , 1975). In contrast to nonmediated diffusion, facilitated transport involves the reversible binding of

  19. Thermodynamic study of 5-(/sup 3/H)hydroxytryptamine binding to human cortex membranes

    Energy Technology Data Exchange (ETDEWEB)

    Todd, R.D.; Babinski, J.

    1987-11-01

    Kinetic and equilibrium measurements of (/sup 3/H)-serotonin (5-hydroxytryptamine) binding to human frontal cortex membranes have been made between 4 and 30 degrees C. The effects of spiperone and ascorbate on binding have also been determined. Under the conditions used, binding was saturable and reversible. Affinity constants derived from kinetic and equilibrium data were comparable. Serotonin binding to several sites had substantial enthalpic as well as entropic components.

  20. Structure of Ln[sub 2](PO[sub 3]H)[sub 3]. H[sub 2]O (Ln=Pr, Nd). Structure de Ln[sub 2](PO[sub 3]H)[sub 3]. H[sub 2]O (Ln=Pr, Nd)

    Energy Technology Data Exchange (ETDEWEB)

    Foulon, J.D.; Durand, J.; Cot, L. (Lab. de Physicochimie des Materiaux, Ecole Nationale Superieure de Chimie, 34 - Montpellier (France)); Tijani, N.; Rafiq, M. (Lab. de Chimie Minerale Appliquee, Faculte des Sciences, Fes (Morocco))

    1993-01-15

    Dipraseodymium triphosphite monohydrate, Pr[sub 2](PO[sub 3]H)[sub 3].H[sub 2]O, M[sub r]=539.8, monoclinic, P2[sub 1]/n, a=9.620(2), b=8.005(1), c=13.119(2) A, [beta]=108.98(1)deg, V=955.4(3) A[sup 3], Z=4, D[sub m]=3.72(1), D[sub x]=3.754 Mg m[sup -3], [lambda](Mo K[alpha])=0.71073 A, [mu]=10.68 mm[sup -1], F(000)=992, T=293 K, R=0.025 for 1947 independent reflections. Dineodymium triphosphite monohydrate, Nd[sub 2](PO[sub 3]H)[sub 3].H[sub 2]O, M[sub r]=546.4, monoclinic, P2[sub 1]/n, a=9.581(2), b=7.980(2), c=13.056(3) A, [beta]=108.95(1)deg, V=944.2(4) A[sup 3], Z=4, D[sub m]=3.81(1), D[sub x]=3.845 Mg m[sup -3], [lambda](Mo K[alpha])=0.71073 A, [mu]=11.51 mm[sup -1], F(000)=1000, T=293 K, R=0.0305 for 1992 independent reflections. The structure contains three independent phosphite anions. Both Ln[sup 3+] 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.).

  1. Evaluation of PM-3 Chemistry Data and Possible Interpretations of 3H Observations, Revision 0

    Energy Technology Data Exchange (ETDEWEB)

    Andrews, Robert [Navarro-Intera, LLC (N-I), Las Vegas, NV (United States); Marutzky, Sam J. [Navarro-Intera, LLC (N-I), Las Vegas, NV (United States)

    2015-02-01

    This report summarizes the analyses of the groundwater results from sampling of PM-3-1 (deep) and PM-3-2 (shallow), with a particular focus of evaluating the groundwater geochemistry data in comparison to the geochemistry observed in other wells in the Thirsty Canyon area as well as to evaluate the potential source of 3H observed in these piezometers from previous sampling activities, which employed depth-discrete bailers or a Bennett submersible piston pump.

  2. Purification of neuropathy target esterase from avian brain after prelabelling with [3H]diisopropyl phosphorofluoridate.

    Science.gov (United States)

    Rüffer-Turner, M E; Read, D J; Johnson, M K

    1992-01-01

    Neuropathy target esterase from hen brains was radiolabelled at the active site with [3H]diisopropyl phosphorofluoridate. The labelled protein was purified by differential centrifugation and Nonidet P40 solubilization, detergent phase partitioning, anion exchange, and preparative sodium dodecyl sulphate-polyacrylamide gel electrophoresis (SDS-PAGE). The volatilizable counts assay and analytical SDS-PAGE were used to monitor the protein. The 150-kDa subunit polypeptide appears as a single band on analytical SDS-PAGE.

  3. UPTAKE OF [3H]-COLCHICINE INTO BRAIN AND LIVER OF MOUSE, RAT, AND CHICK

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, Edward L.; Alberti, Marie Hebert; Flood, James F.

    1980-07-01

    The uptake of [ring A-4-{sup 3}H] colchicine and [ring C-methoxy-{sup 3}H]colchicine has been compared in mice from 1 to 24 hr after administration. Less radioactivity was found in brain after administration of ring-labeled colchicine than after administration of the methoxy-labeled colchicine. Three hr after administration of ring-labeled colchicine, 5% of the label was in liver and about 0.01% of the label was present in brain. Forty percent of the brain radioactivity was bound to tubulin as determined by vinblastine precipitation. After 3 hr, an average of 8% of the radioactivity from methoxy-labeled colchicine was found in the liver and 0.16% in brain. However, less than 5% of the activity in brain was precipitated by vinblastine, and the colchicine equivalent was comparable to that found after administration of the ring-labeled colchicine. The amount of colchicine entering mouse brain after subcutaneous injection is comparable to the minimum behaviorally effective dose when administered to the caudate. The metabolism of [ring C-methoxy-{sup 3}H] and [ring A-{sup 3}H]colchicine was also studied in rats. the general pattern was similar to mice; less radioactivity was found in brain after administration of the ring-labeled alkoloid than after administration of methoxy-labeled colchicine. Again, 40-50% of ring-labeled colchicine was precipitated by vinblastine. A much smaller percentage of the methoxy-labeled drug was precipitated by vinblastine than of the ring A-labeled colchicine. These experiments, together with behavioral experiments [7], support the hypotheses that structural alteration in synapses by recently synthesized proteins which are transported down the axons and dendrites may be an essential process for long-term memory formation.

  4. 454 sequencing of pooled BAC clones on chromosome 3H of barley

    Directory of Open Access Journals (Sweden)

    Yamaji Nami

    2011-05-01

    Full Text Available Abstract Background Genome sequencing of barley has been delayed due to its large genome size (ca. 5,000Mbp. Among the fast sequencing systems, 454 liquid phase pyrosequencing provides the longest reads and is the most promising method for BAC clones. Here we report the results of pooled sequencing of BAC clones selected with ESTs genetically mapped to chromosome 3H. Results We sequenced pooled barley BAC clones using a 454 parallel genome sequencer. A PCR screening system based on primer sets derived from genetically mapped ESTs on chromosome 3H was used for clone selection in a BAC library developed from cultivar "Haruna Nijo". The DNA samples of 10 or 20 BAC clones were pooled and used for shotgun library development. The homology between contig sequences generated in each pooled library and mapped EST sequences was studied. The number of contigs assigned on chromosome 3H was 372. Their lengths ranged from 1,230 bp to 58,322 bp with an average 14,891 bp. Of these contigs, 240 showed homology and colinearity with the genome sequence of rice chromosome 1. A contig annotation browser supplemented with query search by unique sequence or genetic map position was developed. The identified contigs can be annotated with barley cDNAs and reference sequences on the browser. Homology analysis of these contigs with rice genes indicated that 1,239 rice genes can be assigned to barley contigs by the simple comparison of sequence lengths in both species. Of these genes, 492 are assigned to rice chromosome 1. Conclusions We demonstrate the efficiency of sequencing gene rich regions from barley chromosome 3H, with special reference to syntenic relationships with rice chromosome 1.

  5. [Efficiency of atrazine degradation by O3/H2O2].

    Science.gov (United States)

    Li, Shao-Feng; Liang, Yuan; Zhang, Rong-Quan; Ye, Fei

    2009-05-15

    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.

  6. Distribution of [3H]GR65630 binding in human brain postmortem.

    Science.gov (United States)

    Marazziti, D; Betti, L; Giannaccini, G; Rossi, A; Masala, I; Baroni, S; Cassano, G B; Lucacchini, A

    2001-03-01

    We investigated the distribution of serotonin (5-HT) receptors of type 3 (5-HT3) in human brain areas, by means of the the specific binding of [3H]GR65630. The brains were obtained during autoptic sessions from 6 subjects. Human brain membranes and the binding of [3H]GR65630 were carried out according to standardized methods. The highest density (Bmax +/- SD, fmol/mg protein) of [3H]GR65630 binding sites was found in area postrema (13.1+/-9.7), followed at a statistically lower level, by nucleus tractus solitarius (6.7+/-3.4), nervus vagus (5.5+/-2.1), striatum (4.8+/-2.4) with a progressive decrease in amygdala, olivar nuclei, hippocampus, olfactory bulbus and prefrontal cortex, and then by the other cortical areas and the cerebellum, where no binding was detected. These observations extend previous findings on the distribution of 5-HT3 receptors and confirm interspecies variations that might explain the heterogeneous properties of 5-HT3 receptors in different animals.

  7. Kinetic Modeling of C3H6 Inhibition on NO Oxidation over Pt Catalyst

    Directory of Open Access Journals (Sweden)

    Muhammad Mufti Azis

    2016-03-01

    Full Text Available Exhaust after treatment for lean burn and diesel engine is a complex catalytic system that consists of a number of catalytic units. Pt/Al2O3 is often used as a model Diesel Oxidation Catalyst (DOC that plays an important role to facilitate oxidation of NO to NO2. In the present study, we proposed a detailed kinetic model of NO oxidation as well as low temperature C3H6 inhibition to simulate temperature-programmed reaction (TPR data for NO oxidation over Pt/Al2O3. A steady-state microkinetic model based on Langmuir-Hinshelwood mechanism for NO oxidation was proposed. In addition, low temperature C3H6 inhibition was proposed as a result of site blocking as well as surface nitrite consumption. The model can explain the experimental data well over the studied temperature range. Copyright © 2016 BCREC GROUP. All rights reserved Received: 10th November 2015; Revised: 1st February 2016; Accepted: 1st February 2016 How to Cite: Azis, M.M., Creaser, D. (2016. Kinetic Modeling of C3H6 Inhibition on NO Oxidation over Pt Catalyst. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (1: 27-33. (doi:10.9767/bcrec.11.1.403.27-33 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.11.1.403.27-33

  8. Effects of denervation on 3H-fucose incorporation by odontoblasts in the mouse incisor.

    Science.gov (United States)

    Chiego, D J; Fisher, M A; Avery, J K; Klein, R M

    1983-01-01

    The present study was designed to determine the effects of denervation on glycoprotein synthesis in the predentinal matrix of the mouse incisor. The inferior alveolar nerve (IAN), superior cervical ganglion (SCG) or both (IAN + SCG) were unilaterally resected in adult mice with the contralateral side remaining intact as a control. Fourteen days after surgery and 4 h prior to killing, 0.2 mCi of 3H-fucose was injected intravenously and mandibles were processed for standard histological and autoradiographic techniques. Silver halide grains were counted over the predentin matrix for 2000 micrometers per tooth. The results showed that the IAN and SCG resection affected 3H-fucose incorporation into the predentinal matrix; however, the highest absolute mean grain counts occurred after IAN + SCG resection. SCG resection increased the amount of 3H-fucose incorporated into the predentinal matrix by 48%, that of IAN by 24% and that of IAN + SCG by 14% as compared to contralateral controls. These data indicate a regulatory role for the nervous system and a possible interaction of neural components in the control of glycoprotein synthesis by odontoblasts in the mouse incisor.

  9. Monoclonal antibody 3H8: a useful tool in the diagnosis of candidiasis.

    Science.gov (United States)

    Marcilla, A; Monteagudo, C; Mormeneo, S; Sentandreu, R

    1999-03-01

    In a previous series of experiments six mAbs were obtained against cell wall extracts of Candida albicans ATCC 26555. After several studies only one of them, designated 3H8, has been used to produce a commercial kit for the rapid diagnosis of candidiasis, Bichro-latex albicans (Fomouze Diagnostics). The present study involved the generation and characterization of this mAb as an immunoglobulin G1 which recognizes mannoproteins of high molecular mass present in the C. albicans cell wall. ELISA assays showed that the presence of the epitope recognized by mAb 3H8 was similar in both yeast and mycelial cell walls of C. albicans, in contrast to the epitope for mAb 1B12, which is mainly expressed in the yeast cell wall. The 3H8 epitope was located at the external surface in C. albicans ATCC 26555, whereas it is partially cryptic in the cell wall in other C. albicans strains. No reaction was observed with other Candida species. Immunohistochemical studies using this antibody demonstrated that it specifically recognized C. albicans in tissue, detecting mycelial forms and, to a lesser extent, blastospores, suggesting that it is also a valuable tool in the evaluation of fungal infections in paraffin-embedded tissue, particularly when identification is required.

  10. A manganese catalyst for highly reactive yet chemoselective intramolecular C(sp3)-H amination

    Science.gov (United States)

    Paradine, Shauna M.; Griffin, Jennifer R.; Zhao, Jinpeng; Petronico, Aaron L.; Miller, Shannon M.; Christina White, M.

    2015-12-01

    C-H bond oxidation reactions underscore the existing paradigm wherein high reactivity and high selectivity are inversely correlated. The development of catalysts capable of oxidizing strong aliphatic C(sp3)-H bonds while displaying chemoselectivity (that is, tolerance of more oxidizable functionality) remains an unsolved problem. Here, we describe a catalyst, manganese tert-butylphthalocyanine [Mn(tBuPc)], that is an outlier to the reactivity-selectivity paradigm. It is unique in its capacity to functionalize all types of C(sp3)-H bond intramolecularly, while displaying excellent chemoselectivity in the presence of π functionality. Mechanistic studies indicate that [Mn(tBuPc)] transfers bound nitrenes to C(sp3)-H bonds via a pathway that lies between concerted C-H insertion, observed with reactive noble metals such as rhodium, and stepwise radical C-H abstraction/rebound, as observed with chemoselective base metals such as iron. Rather than achieving a blending of effects, [Mn(tBuPc)] aminates even 1° aliphatic and propargylic C-H bonds, demonstrating reactivity and selectivity unusual for previously known catalysts.

  11. A manganese catalyst for highly reactive yet chemoselective intramolecular C(sp(3))-H amination.

    Science.gov (United States)

    Paradine, Shauna M; Griffin, Jennifer R; Zhao, Jinpeng; Petronico, Aaron L; Miller, Shannon M; Christina White, M

    2015-12-01

    C-H bond oxidation reactions underscore the existing paradigm wherein high reactivity and high selectivity are inversely correlated. The development of catalysts capable of oxidizing strong aliphatic C(sp(3))-H bonds while displaying chemoselectivity (that is, tolerance of more oxidizable functionality) remains an unsolved problem. Here, we describe a catalyst, manganese tert-butylphthalocyanine [Mn((t)BuPc)], that is an outlier to the reactivity-selectivity paradigm. It is unique in its capacity to functionalize all types of C(sp(3))-H bond intramolecularly, while displaying excellent chemoselectivity in the presence of π functionality. Mechanistic studies indicate that [Mn((t)BuPc)] transfers bound nitrenes to C(sp(3))-H bonds via a pathway that lies between concerted C-H insertion, observed with reactive noble metals such as rhodium, and stepwise radical C-H abstraction/rebound, as observed with chemoselective base metals such as iron. Rather than achieving a blending of effects, [Mn((t)BuPc)] aminates even 1° aliphatic and propargylic C-H bonds, demonstrating reactivity and selectivity unusual for previously known catalysts.

  12. Andrographis paniculata extract induced apoptosis of adenocarcinoma mammae in C3H mice

    Directory of Open Access Journals (Sweden)

    Nugrahaningsih

    2013-08-01

    Full Text Available BACKGROUND Apoptosis plays an important role in tumorigenesis. Induction of apoptosis is a strategy for developing cancer therapy. In vitro study found that andrographolide isolated from Andrographis paniculata has anticancer activity by an apoptotic mechanism in cancer cell lines. The aim of the present study was to prove the effect of Andrographis paniculata extract administered orally on apoptosis of mammary adenocarcinoma in C3H mice. METHODS This study was of post test randomized control group design. Twenty four C3H mice with transplanted mammary adenocarcinomas were divided into four groups. To three groups Andrographis paniculata extract was administered orally for 14 days, at doses of 5, 10 and 15 mg/day, respectively, whereas to the control group no Andrographis paniculata extract was administered. On day 15 the mice were terminated. The mammary adenocarcinomas were examined by the terminal deoxynucleotide transferase dUTP nick end labeling (TUNEL method. The values of the apoptotic index were expressed as mean±SD and analyzed using Anova and Pearson’s correlation test. RESULTS The mean apoptotic index values differed significantly among the experimental groups (p=0.001. The highest value was found in the group receiving Andrographis paniculata extract 15 mg/day, while the lowest was in the control group, the values being significantly correlated (r=0.974. CONCLUSIONS Oral administration of Andrographis paniculata extract induced apoptosis in C3H mice with mammary adenocarcinoma

  13. Synthesis of a radiolabeled cyclodepsipeptide [{sup 3}H-methyl]PF1022A

    Energy Technology Data Exchange (ETDEWEB)

    Pleiss, U. [Bayer AG, Wuppertal (Germany). Metabolism and Isotope Chemistry; Harder, A.; Turberg, A.; Londershausen, M.; Mencke, N.; Jeschke, P.; Bonse, G. [Bayer AG, Monheim (Germany). Agricultural Centre; Iinuma, K. [Meiji Seika Kaisha Ltd., Kanagawa (Japan)

    1996-01-01

    For receptor binding studies and the elucidation of the mode of action of the potent anthelmintic compound PF1022A a tritium labeled compound with very high specific activity was necessary. Tritium was introduced into the compound by methylation of the [bis-N-demethyl]precursor of PF1022A (PF1022-219). The identity of [bis-N-methyl-{sup 3}H]PF1022A was determined by LC/MS. After synthesis and purification, 88.9 {mu}g [bis-N-methyl-{sup 3}H]PF1022A were available showing a specific activity of 162 Ci/mmol (5,99 TBq/mmol) determined by mass spectrometry. The total activity was 15 mCi (555 MBq). Radiolabeled PF1022A showed an efficient and specific binding to a membrane fraction from Ascaris suum. Displacement by unlabeled PF1022A was half-maximal at about 40 nM. At 100-fold higher concentrations the biologically much less effective optical antipodean (PF1022-001) competed for maximal 40% of the [{sup 3}H]PF1022A-binding in the Ascaris suum membrane preparation. In-vitro comparison of PF1022A with its optical antipdean revealed a more than 100-fold higher anthelmintic activity of PF1022A against Heterakis spumosa, Nippostrongylus brasiliensis and Trichinella spiralis. (author).

  14. Preparation and properties of /sup 3/H-phe/sup B1/ insulin

    Energy Technology Data Exchange (ETDEWEB)

    Grant, K.I.

    1986-01-01

    Insulin iodinated by both the lactoperoxidase and chloramine-T methods was found in accordance with many published reports to bind to plasma membrane. It was found, however not to obey isotope dilution laws in its displacement from plasma membrane by natural insulin. It was shown to be heterogeneous on reverse-phase HPLC, to contain diiodotyrosine and to have a reduced biological activity in an in vivo assay. Thus an insulin labelled semi-synthetically with /sup 3/H-phenylalaine at position B1 was prepared. A method already published was attempted, but without success. A different scheme of synthesis was developed using 2-t-butoxycarbonyloxyimino-2-phenylacetonitrile as the t-butoxycarbonylating agent and HPLC as the mode of separation of insulin derivatives. Using L-(2,3,4,5,6-/sup 3/H) phenylalaine a labelled insulin of specific radioactivity of 60 Ci/mmole was made. Characterization by the techniques of HPLC, acid-urea polyacrylamide gel electrophoresis, dansylation, Edman degradation and gel exclusion chromatography showed the labelled insulin to be indistinguishable from the natural hormone, and to contain a single covalently bound /sup 3/H-phe residue.

  15. Energy barriers for the addition of H, *CH3, and *C2H5 to *CH2=CHX [X = H, CH3, OH] and for H-atom addition to RCH=O [R = H, CH3, *C2H5, n-C3H7]: implications for the gas-phase chemistry of enols.

    Science.gov (United States)

    Simmie, John M; Curran, Henry J

    2009-07-09

    Although enols have been identified in alcohol and other flames and in interstellar space and have been implicated in the formation of carboxylic acids in the urban troposphere in the past few years, the reactions that give rise to them are virtually unknown. To address this data deficit, particularly with regard to biobutanol combustion, we have carried out a number of ab initio calculations with the multilevel methods CBS-QB3 and CBS-APNO to determine the activation enthalpies for methyl addition to the CH(2) group of CH(2)=CHX where X = H, OH, and CH(3). These average at 26.3 +/- 1.0 kJ mol(-1) and are not influenced by the nature of X; addition to the CHX end is energetically costlier and does show the influence of group X = OH and CH(3). Replacing the attacking methyl radical by ethyl makes very little difference to addition at CH(2) and follows the same trend of a higher barrier for addition to the CH(OH) end. In the case of H-addition it is more problematic to draw general conclusions since the DFT-based methodology, CBS-QB3, struggles to locate transition states for some reactions. However, the increase in barrier heights in reaction at the CHX end in comparison to addition at the methylene end is evident. For hydrogen atom reaction with the carbonyl group in the compounds methanal, ethanal, propanal, and butanal we see that for addition at the O-center the barrier heights of ca. 38 kJ mol(-1) are not influenced by the nature of the alkyl group whereas addition at the C-center is different on going from H --> alkyl but seems to be invariant at 20 kJ mol(-1) once alkylated. Rate constants for H-atom elimination from 1-hydroxyethyl, 1-hydroxypropyl, and 1-hydroxybutyl radicals, valid over the range 800-2000 K, are reported. These demonstrate that enols are more prevalent than previously suspected and that 1-buten-1-ol should be almost as abundant as its isomeric aldehyde 1-butanal during the combustion of 1-butanol and that this will also be the case for other alcohols provided that the appropriate structural features are present. Since the toxicity of enols is not known experiments and further theoretical studies are clearly desirable before the large-scale usage of alcohol biofuels commences. An enthalpy of formation for butanal of Delta(f)H(298.15 K) = -204.4 +/- 1.4 kJ mol(-1) [Buckley, E.; Cox, J. D. Trans. Faraday Soc. 1967, 63 , 895 901] is recommended, the uncertainty surrounding that for the 2-hydroxypropyl radical has been markedly reduced, and new values for 1-buten-1-ol, 1-propen-1-ol, and 2-propen-2-ol of -171.8 +/- 1.6, -151.8 +/- 1.7, and -169.9 +/- 1.5 kJ mol(-1), respectively, are proposed.

  16. Characterization of high affinity (/sup 3/H)triazolam binding in rat brain

    Energy Technology Data Exchange (ETDEWEB)

    Earle, M.; Concas, A.; Yamamura, H.I.

    1986-03-01

    The hypnotic Triazolam (TZ), a triazolo (1,4)-benzodiazepine, displays a short physiological half life and has been used for the treatment of insomnia related to anxiety states. Specific binding properties of this recently tritiated TZ were characterized. The authors major objectives were the direct measurement of the temperature dependence and the GABA effect on (/sup 3/H)TZ binding. Saturation studies showed a shift to lower affinity at 37/sup 0/C (K/sub d/ = 0.25 +/- 0.01 nM at O/sup 0/C; K/sub d/ = 1.46 +/- 0.03 nM at 37/sup 0/C) while the B/sub max/ values remained unchanged (1003 +/- 37 fmoles/mg prot. at 0/sup 0/C and 1001 +/- 43 fmoles/mg prot. at 37/sup 0/C). Inhibition studies showed that (/sup 3/H)TZ binding displayed no GABA shift at 0/sup 0/C(K/sub i/ 0.37 +/- 0.03 nM/- GABA and K/sub i/ = 0.55 +/- 0.13 nM/+GABA) but a nearly two-fold shift was apparent at 37/sup 0/C (K/sub i/ = 2.92 +/- 0.2 nM/-GABA; K/sub i/ = 1.37 +/- 0.11 mM/+GABA). These results were also confirmed by saturation studies in the presence or absence of GABA showing a shift to higher affinity in the presence of GABA only at 37/sup 0/C. In Ro 15-1788/(/sup 3/H)TZ competition experiments the presence of GABA did not affect the inhibitory potency of Ro 15-1788 on (/sup 3/H)TZ binding at both temperatures. In conclusion (/sup 3/H)TZ binding showed an extremely high affinity for benzodiazepine receptors. In contrast to reported literature, the findings suggest that TZ interacts with benzodiazepine receptors similar to other benzodiazepine agonists.

  17. Synthesis and Crystal Structure of [CpRu(η5-C5H5)(dppc)Cl][PF6

    Institute of Scientific and Technical Information of China (English)

    WU Xiang-Hua; YU Guang-Ao; MENG Xiang-Gao; CHEN Yan; REN Yong; LIU Sheng-Hua

    2006-01-01

    The title complex [Ru(η5-C5H5)(dppc)Cl][PF6] has been synthesized by the reaction of [Ru(η5-C5H5)(PPh3)2Cl] with [dppc][PF6] (1,1'-bis(diphenylphosphino)cobaltocenium hexaflurophospate) in CH2Cl2, and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 15.754(8), b =13.704(7), c=19.120(10) (A),β=106.148(9)°, V=3965(4) (A)3, Z=4, C40H35Cl3CoF6P3Ru, Mr=988.94, Dc=1.657 g/cm3, F(000) = 1984 and μ(MoKα) = 1.181 mm-1. The final R = 0.0425 and wR = 0.1001 for 7002 independent reflections. The title complex shows a mononuclear Ru(Ⅱ)capped by an η5-Cp ring, a chelating η2-dppc and a terminal chloride to assume a three-legged piano-stool configuration.

  18. Crystal structures of two 6-(2-hydroxybenzoyl-5H-thiazolo[3,2-a]pyrimidin-5-ones

    Directory of Open Access Journals (Sweden)

    Ligia R. Gomes

    2015-07-01

    Full Text Available The title compounds, 6-(2-hydroxybenzyl-5H-thiazolo[3,2-a]pyrimidin-5-one, C13H8N2O3S, (1, and 6-(2-hydroxybenzyl-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one, C14H10N2O3S, (2, were synthesized when a chromone-3-carboxylic acid, activated with (benzotriazol-1-yloxytripyrrolidinylphosphonium hexafluoridophosphate (PyBOP, was reacted with a primary heteromamine. Instead of the expected amidation, the unusual title thiazolopyrimidine-5-one derivatives were obtained serendipitously and a mechanism of formation is proposed. Both compounds present an intramolecular O—H...O hydrogen bond, which generates an S(6 ring. The dihedral angles between the heterocyclic moiety and the 2-hydroxybenzoyl ring are 55.22 (5 and 46.83 (6° for (1 and (2, respectively. In the crystals, the molecules are linked by weak C—H...O hydrogen bonds and π–π stacking interactions.

  19. Novel 3-arylfuran-2(5H)-one-fluoroquinolone hybrid: design, synthesis and evaluation as antibacterial agent.

    Science.gov (United States)

    Wang, Xu-Dong; Wei, Wei; Wang, Peng-Fei; Tang, Yun-Tao; Deng, Rui-Cheng; Li, Biao; Zhou, Sha-Sha; Zhang, Jing-Wen; Zhang, Lei; Xiao, Zhu-Ping; Ouyang, Hui; Zhu, Hai-Liang

    2014-07-15

    3-Arylfuran-2(5H)-one, a novel antibacterial pharmacophore targeting tyrosyl-tRNA synthetase (TyrRS), was hybridized with the clinically used fluoroquinolones to give a series of novel multi-target antimicrobial agents. Thus, twenty seven 3-arylfuran-2(5H)-one-fluoroquinolone hybrids were synthesized and evaluated for their antimicrobial activities. Some of the hybrids exhibited merits from both parents, displaying a broad spectrum of activity against resistant strains including both Gram-negative and Gram-positive bacteria. The most potent compound (11) in antibacterial assay shows MIC50 of 0.11μg/mL against Multiple drug resistant Escherichia coli, being about 51-fold more potent than ciprofloxacin. The enzyme assays reveal that 11 is a potent multi-target inhibitor with IC50 of 1.15±0.07μM against DNA gyrase and 0.12±0.04μM against TyrRS, respectively. Its excellent inhibitory activities against isolated enzymes and intact cells strongly suggest that 11 deserves to further research as a novel antibiotic. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Chemical dynamics of the CH(X2Π) + C2H4(X1A1g), CH(X2Π) + C2D4(X1A1g), and CD(X2Π) + C2H4(X1A1g) reactions studied under single collision conditions.

    Science.gov (United States)

    Zhang, Fangtong; Maksyutenko, Pavlo; Kaiser, Ralf I

    2012-01-14

    The crossed beam reactions of the methylidyne radical with ethylene (CH(X(2)Π) + C(2)H(4)(X(1)A(1g))), methylidyne with D4-ethylene (CH(X(2)Π) + C(2)D(4)(X(1)A(1g))), and D1-methylidyne with ethylene (CD(X(2)Π) + C(2)H(4)(X(1)A(1g))) were conducted at nominal collision energies of 17-18 kJ mol(-1) to untangle the chemical dynamics involved in the formation of distinct C(3)H(4) isomers methylacetylene (CH(3)CCH), allene (H(2)CCCH(2)), and cyclopropene (c-C(3)H(4)) via C(3)H(5) intermediates. By tracing the atomic hydrogen and deuterium loss pathways, our experimental data suggest indirect scattering dynamics and an initial addition of the (D1)-methylidyne radical to the carbon-carbon double bond of the (D4)-ethylene reactant forming a cyclopropyl radical intermediate (c-C(3)H(5)/c-C(3)D(4)H/c-C(3)H(4)D). The latter was found to ring-open to the allyl radical (H(2)CCHCH(2)/D(2)CCHCD(2)/H(2)CCDCH(2)). This intermediate was found to be long lived with life times of at least five times its rotational period and decomposed via atomic hydrogen/deuterium loss from the central carbon atom (C2) to form allene via a rather loose exit transition state in an overall strongly exoergic reaction. Based on the experiments with partially deuterated reactants, no compelling evidence could be provided to support the formation of the cyclopropene and methylacetylene isomers under single collision conditions. Likewise, hydrogen/deuterium shifts in the allyl radical intermediates or an initial insertion of the (D1)-methylidyne radical into the carbon-hydrogen/deuterium bond of the (D4)-ethylene reactant were found to be-if at all-of minor importance. Our experiments propose that in hydrocarbon-rich atmospheres of planets and their moons such as Saturn's satellite Titan, the reaction of methylidyne radicals should lead predominantly to the hitherto elusive allene molecule in these reducing environments.

  1. Synthesis and biofilm inhibition evaluation of 5-acylated 3,4-dichloro-5H-furan-2-one as quorum sensing autoinducer analogs of Pseudomonas aeruginosa%铜绿假单胞菌群体感应信号分子类似物5-烷酸酯基-3,4-二氯-2(5H)-呋喃酮的合成及其生物膜抑制活性研究

    Institute of Scientific and Technical Information of China (English)

    杨晶晶; 孙平华; 陈卫民

    2012-01-01

    To study the biofilm inhibitor quorum sensing autoinducer analogs of Pseudomonas aeruginosa, the analogs of its quorum sensing antoinducer AHLs were synthesized. The 5-hydroxyl-3,4-dichloro-5H-furan-2-one was yielded from 2-furaldehyde, and then acylated at C-5 hydroxyl group with different length of alkyl acids. Eight target compounds were synthesized. All the compounds were confirmed by NMR and MS. The preliminary bioassay test indicated that compounds 2c, 2d, 2e, 2f and 2h showed remarkable effects on biofilm inhibition of Pseudomonas aeruginosa, especially compound 2e, inhibition ratio reached as high as 70% on ATCC 27853.%合成铜绿假单胞菌群体感应信号分子类似物作为细菌生物膜抑制剂.以呋喃甲醛为原料合成5-羟基-3,4-二氯-2(5H)-呋喃酮,与不同长度碳链的烷酸5-位成酯,合成了8个5-烷酸酯基-3,4-二氯-2(5H)-呋喃酮,其结构经NMR和MS表征.初步生物活性测试结果表明,化合物2c,2d,2e,2f和2h对铜绿假单胞菌生物膜的形成有明显的抑制作用,尤其是化合物2e,对ATCC 27853的生物膜抑制率高达70%以上.

  2. Spiropyrans Containing the Reactive Substituents in the 2H-Chromene Moiety

    Directory of Open Access Journals (Sweden)

    B. S. Lukyanov

    2007-01-01

    Full Text Available Some spiropyrans containing functional substituents in the [2H]-chromene part of the molecule were synthesized and their photochromic properties in solution and solid state were investigated. The presence of the formyl group in the [2H]-chromene fragment enhances the possibility to show photochromic properties in solution.

  3. N2H+ and HC3N Observations of the Orion A Cloud

    CERN Document Server

    Tatematsu, K; Umemoto, T; Sekimoto, Y

    2008-01-01

    The ``integral-shaped filament'' of the Orion A giant molecular cloud was mapped in N2H+, and its northern end, the OMC-2/3 region was observed also in HC3N and CCS. The N2H+ distribution is similar to the dust continuum distribution, except for the central part of the Orion Nebula. The distribution of H13CO+ holds resemblance to that of dust continuum, but the N2H+ distribution looks more similar to dust continuum distribution. The N-bearing molecules, N2H+ and NH3 seem to be more intense in OMC-2, compared with the H13CO+ and CS distribution. We identified 34 cloud cores from N2H+ data. Over the Orion Nebula region, the N2H+ linewidth is large (1.1-2.1 km/s). In the OMC-2/3 region, it becomes moderate (0.5-1.3 km/s), and it is smaller (0.3-1.1 km/s) in the south of the Orion Nebula. On the other hand, the gas kinetic temperature of the quiescent cores observed in N2H+ is rather constant (~ 20 K) over the $\\int$-shaped filament. We detected no CCS emission in the OMC-2/3 region. In general, N2H+ and HC3N dis...

  4. Data of evolutionary structure change: 1ATGA-2H5YA [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1ATGA-2H5YA 1ATG 2H5Y A A --ELKVVTATNFLGTLEQLAGQFAKQTGHAVVISSGSSG...ntryChain> 1ATG A 1ATGA PGSHW---F...n>A 1ATGA DKLTAQERIVEA HHH...ryChain> 1ATG A 1ATGA 1ATGA KSTAEKANAEQ HHHHHH

  5. Data of evolutionary structure change: 1GAZA-2H5ZB [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available pdbChain> 2H5ZB YALGV---PKSEL ...>HH --- H> ATOM 1072 CA TYR B 13 1.905 24.96...> KRLGMDGYRGISL cture>HH GGG H> B 2H5ZB KIKSQ-QGWTA ...>HHHH - GGG> ATOM 1716 CA LYS B 95 8.769 19.520 18.9

  6. Data of evolutionary structure change: 1DFIA-2H9IA [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1DFIA-2H9IA 1DFI 2H9I A A -GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTY...QNDKLKGRVEEFAAQL-GSDIVLQCDVAEDASI----DTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALL...TLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRT--------------------LMLAHCEAVTPIR-RTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIA...AMNE AGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFD--RLRLI...in> 1DFI A 1DFIA FAAQL-GSDIV

  7. Synthesis of 2H-indazoles by the [3 + 2] dipolar cycloaddition of sydnones with arynes.

    Science.gov (United States)

    Fang, Yuesi; Wu, Chunrui; Larock, Richard C; Shi, Feng

    2011-11-04

    A rapid and efficient synthesis of 2H-indazoles has been developed using a [3 + 2] dipolar cycloaddition of sydnones and arynes. A series of 2H-indazoles have been prepared in good to excellent yields using this protocol, and subsequent Pd-catalyzed coupling reactions can be applied to the halogenated products to generate a structurally diverse library of indazoles.

  8. Synthesis and Anti-inflammatory Action of(η-C5H5)2Ti(Sal)2 and (η-C5H5)2Ti(Clo)2

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Two new complexes (Cp)2Ti(Sal)2 and(Cp)2Ti(Clo)2(Cp=Cyclopentadienyl η5-C5H5), have been synthesized in anhydrous THF by the reaction of Hsal(o-hydroxybenzoic acid, salicylate acid) or Hclo[N-(m-chloro-phe-nyl) anthranili acid, acidum clofenamicum] with (Cp)2TiCl2 and characterized by means of elemental analyses, IR, 1H NMR, 13C NMR, UV and molar conductivity. In complex (Cp)2Ti(Sal)2 or (Cp)2Ti(Clo)2, the oxygen atom of the carboxyl group coordinates to Ti(IV) in a monodentate manner. The inhibitory action of the complexes on mouse ear tumefaction caused by croton oil and rat foot granulation growth caused by cotton balls is higher than that of the corresponding ligands Hsal, Hclo and [(Cp)2TiCl2], whereas their toxicity is lower than those of the free ligands.

  9. Distribution of the (/sup 3/H)-label from low doses of radioactive ochratoxin A ingested by rats, and evidence for DNA single-strand breaks caused in liver and kidneys

    Energy Technology Data Exchange (ETDEWEB)

    Kane, A.; Creppy, E.E.; Dirheimer, G.; Roth, A.; Roeschenthaler, R.

    1986-04-01

    The distribution of a single low dose of (/sup 3/H)-ochratoxin A (OTA) in different tissues of male Wistar rats, after administration by intubation, was investigated after 5 h, 24 h and 48 h. This dose corresponds to concentrations encountered in naturally contaminated feed (4 ppm). The distribution of (/sup 3/H)-label varied with the time elapsed after administration; at 5 h the highest specific label was found in the stomach contents and in decreasing order in: intestinal contents, lung, liver, kidney, heart, fat, intestine, testes, and the lowest in muscles, spleen and brain. With exception of brain, fat, stomach and lung, all tissues showed maximum levels at 24 h, after which time the label decreased steadily, whereas in fat it increased. After a 12-week feeding experiment, with doses of 288.8 ..mu..g/kg corresponding to an intake of 4 ppm in feed each 48 h, the DNA in liver and kidneys was investigated for damage. By the alkaline elution method combined with micro-spectrofluorimetric determinations of DNA, evidence for DNA single-strand breaks was obtained. These findings support reports on the carcinogenic action of OTA.

  10. Safety assessment for a KBS-3H spent nuclear fuel repository at Olkiluoto. Evolution report

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Paul; Johnson, Lawrence; Snellman, Margit; Pastina, Barbara; Gribi, Peter

    2008-01-15

    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 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. In the KBS-3H design alternative, each canister, with a surrounding layer of bentonite clay, is pre-packaged in a perforated steel cylinder prior to emplacement in the deposition drift; the entire assembly is called the supercontainer. Several supercontainers are positioned along parallel, 100-300 m long deposition drifts, which are sealed following waste emplacement using drift end plugs. Bentonite distance blocks separate the supercontainers, one from another, along the drift. Steel compartment plugs can be used to seal off drift sections with higher inflow, thus isolating the different compartments within the drift. The present report describes the repository evolution in successive time frames, including key uncertainties. The description of evolution starts with the initial conditions at the time of emplacement of the first canisters. The repository evolves through an early, transient phase to a state where evolution is far slower. Particular attention is given to describing the transient phase, since this is where most of the

  11. Robustness of N2H+ as tracer of the CO snowline

    Science.gov (United States)

    van't Hoff, M. L. R.; Walsh, C.; Kama, M.; Facchini, S.; van Dishoeck, E. F.

    2017-03-01

    Context. Snowlines in protoplanetary disks play an important role in planet formation and composition. Since the CO snowline is difficult to observe directly with CO emission, its location has been inferred in several disks from spatially resolved ALMA observations of DCO+ and N2H+. Aims: N2H+ is considered to be a good tracer of the CO snowline based on astrochemical considerations predicting an anti-correlation between N2H+ and gas-phase CO. In this work, the robustness of N2H+ as a tracer of the CO snowline is investigated. Methods: A simple chemical network was used in combination with the radiative transfer code LIME to model the N2H+ distribution and corresponding emission in the disk around TW Hya. The assumed CO and N2 abundances, corresponding binding energies, cosmic ray ionization rate, and degree of large-grain settling were varied to determine the effects on the N2H+ emission and its relation to the CO snowline. Results: For the adopted physical structure of the TW Hya disk and molecular binding energies for pure ices, the balance between freeze-out and thermal desorption predicts a CO snowline at 19 AU, corresponding to a CO midplane freeze-out temperature of 20 K. The N2H+ column density, however, peaks 5-30 AU outside the snowline for all conditions tested. In addition to the expected N2H+ layer just below the CO snow surface, models with an N2/CO ratio ≳0.2 predict an N2H+ layer higher up in the disk due to a slightly lower photodissociation rate for N2 as compared to CO. The influence of this N2H+ surface layer on the position of the emission peak depends on the total CO and N2 abundances and the disk physical structure, but the emission peak generally does not trace the column density peak. A model with a total (gas plus ice) CO abundance of 3 × 10-6 with respect to H2 fits the position of the emission peak previously observed for the TW Hya disk. Conclusions: The relationship between N2H+ and the CO snowline is more complicated than generally

  12. The transcriptional regulator c2h2 accelerates mushroom formation in Agaricus bisporus.

    Science.gov (United States)

    Pelkmans, Jordi F; Vos, Aurin M; Scholtmeijer, Karin; Hendrix, Ed; Baars, Johan J P; Gehrmann, Thies; Reinders, Marcel J T; Lugones, Luis G; Wösten, Han A B

    2016-08-01

    The Cys2His2 zinc finger protein gene c2h2 of Schizophyllum commune is involved in mushroom formation. Its inactivation results in a strain that is arrested at the stage of aggregate formation. In this study, the c2h2 orthologue of Agaricus bisporus was over-expressed in this white button mushroom forming basidiomycete using Agrobacterium-mediated transformation. Morphology, cap expansion rate, and total number and biomass of mushrooms were not affected by over-expression of c2h2. However, yield per day of the c2h2 over-expression strains peaked 1 day earlier. These data and expression analysis indicate that C2H2 impacts timing of mushroom formation at an early stage of development, making its encoding gene a target for breeding of commercial mushroom strains.

  13. Structural, elastic and electronic properties of 2H- and 4H-SiC

    Directory of Open Access Journals (Sweden)

    Md. Nuruzzaman

    2015-05-01

    Full Text Available The structural, five different elastic constants and electronic properties of 2H- and 4H-Silicon carbide (SiC are investigated by using density functional theory (DFT. The total energies of primitive cells of 2H- and 4H-SiC phases are close to each other and moreover satisfy the condition E2H >E4H . Thus, the 4H-SiC structure appears to be more stable than the 2H- one. The analysis of elastic properties also indicates that the 4H-SiC polytype is stiffer than the 2H structures. The electronic energy bands, the total density of states (DOS are calculated. The fully relaxed and isotropic bulk modulus is also estimated. The implication of the comparison of our results with the existing experimental and theoretical studies is made.

  14. Study of morphology of aerosol aggregates formed during co-pyrolysis of C{sub 3}H{sub 8} + Fe(CO){sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Ivanova, N A [Institute of Chemical Kinetics and Combustion SB RAS, 630090, Novosibirsk (Russian Federation); Onischuk, A A [Institute of Chemical Kinetics and Combustion SB RAS, 630090, Novosibirsk (Russian Federation); Di Stasio, S [Istituto Motori CNR Aerosol and Nanostructures Laboratory, Via Marconi 8, 80125 Naples (Italy); Baklanov, A M [Institute of Chemical Kinetics and Combustion SB RAS, 630090, Novosibirsk (Russian Federation); Makhov, G A [Institute of Chemical Kinetics and Combustion SB RAS, 630090, Novosibirsk (Russian Federation)

    2007-04-07

    Formation of aerosol nanoparticles as well as carbon nanotubes and nanofilaments is studied during co-pyrolysis of iron pentacarbonyl and propane with argon as a carrier gas in a flow reactor. Gaseous intermediates from propane thermal decomposition (CH{sub 4}, C{sub 2}H{sub 6} and C{sub 3}H{sub 4}) and Fe(CO){sub 5} conversion are monitored by gas chromatography and IR-spectroscopy, respectively. The aerosol morphology is studied by transmission electron microscopy (TEM) and high resolution TEM. The aerosol particle concentration and size distribution are measured by an automated diffusion battery. The crystal phase composition of particles is studied by x-ray diffractometry. The decomposition of the Fe(CO){sub 5} + Ar mixture resulted in an iron aggregate formation composed of fine primary particles. In the case of lower pyrolysis temperatures, about 450 K, the primary particle mean diameter is about 10 nm, and consequently, the majority of the primary particles are superparamagnetic, thus forming compact aggregates. At intermediate pyrolysis temperatures in the range 800-1040 K the primary particle diameter is about 20-30 nm, and most of the particles are ferromagnetic in nature. The coagulation of these particles results in a chain-like aggregate formation. Finally, at temperatures higher than the Curie point (1043 K) the ferromagnetic properties vanish and the formation of compact aggregates is observed again. The co-pyrolysis of Fe(CO){sub 5} and C{sub 3}H{sub 8} mixed with Ar carrier gas resulted in aerosol aggregate structures dramatically different from those formed by iron pentacarbonyl pyrolysis. In particular, in the temperature range 1070-1280 K, we observed Fe{sub 3}C particles connected by long carbon nanotubes (CNTs). The aggregate morphology is described in terms of a fractal-like dimension D{sub f}, which is determined from TEM images on the basis of a scaling power law linking the aggregate mass (M) and radius (R), M{approx}R{sup D{sub f}}. The

  15. "Sighted C3H" mice--a tool for analysing the influence of vision on mouse behaviour?

    Science.gov (United States)

    Hoelter, Sabine M; Dalke, Claudia; Kallnik, Magdalena; Becker, Lore; Horsch, Marion; Schrewe, Anja; Favor, Jack; Klopstock, Thomas; Beckers, Johannes; Ivandic, Boris; Gailus-Durner, Valérie; Fuchs, Helmut; Hrabé de Angelis, Martin; Graw, Jochen; Wurst, Wolfgang

    2008-05-01

    It is unclear what role vision plays in guiding mouse behaviour, since the mouse eye is of comparably low optical quality, and mice are considered to rely primarily on other senses. All C3H substrains are homozygous for the Pde6b(rd1) mutation and get blind by weaning age. To study the impact of the Pde6b(rd1) mutation on mouse behaviour and physiology, sighted C3H (C3H.Pde6b+) and normal C3H/HeH mice were phenotyped for different aspects. We confirmed retinal degeneration 1 in C3H/HeH mice, and the presence of a morphologically normal retina as well as visual ability in C3H.Pde6b+ mice. However, C3H.Pde6b+ mice showed an abnormal retinal function in the electroretinogram response, indicating that their vision was not normal as expected. C3H.Pde6b+ mice showed reduced latencies for several behaviours without any further alterations in these behaviours in comparison to C3H/HeH mice, suggesting that visual ability, although impaired, enables earlier usage of the behavioural repertoire in a novel environment, but does not lead to increased activity levels. These results emphasize the importance of comprehensive behavioural and physiological phenotyping.

  16. Preferential affinity of /sup 3/H-2-oxo-quazepam for type I benzodiazepine recognition sites in the human brain

    Energy Technology Data Exchange (ETDEWEB)

    Corda, M.G.; Giorgi, O.; Longoni, B.; Ongini, E.; Montaldo, S.; Biggio, G.

    1988-01-01

    The hypnotic drug quazepam and its active metabolite 2-oxo-quazepam (2-oxo-quaz) are two benzodiazepines (BZ) containing a trifluoroethyl moiety on the ring nitrogen at position 1, characterized by their preferential affinity for Type I BZ recognition sites. In the present study we characterized the binding of /sup 3/H-2-oxo-quaz in discrete areas of the human brain. Saturation analysis demonstrated specific and saturable binding of /sup 3/H-2-oxo-quaz to membrane preparations from human cerebellum. Hill plot analysis of displacement curves of /sup 3/H-flunitrazepam binding by 2-oxo-quaz yielded Hill coefficients of approximately 1 in the cerebellum and significantly less than 1 in the cerebral cortex, hippocampus, caudate nucleus, thalamus and pons. Self and cross displacement curves for /sup 3/H-FNT and /sup 3/H-2-oxo-quaz binding in these brain areas indicated that 2-oxo-quaz binds with different affinities to two populations of binding sites. High affinity binding sites were more abundant in the cerebellum, cerebral cortex, hippocampus and thalamus, whereas low affinity sites were predominant in the caudate nucleus and pons. Competition studies of /sup 3/H-2-oxo-quaz and /sup 3/H-FNT using unlabelled ligands indicated that compounds which preferentially bind to Type I sites are more potent at displacing /sup 3/H-2-oxo-quaz than /sup 3/H-FNT from cerebral cortex membrane preparations. 26 references, 2 figures, 3 tables.

  17. Direct measurement of site-specific rates of reactions of H with C3H8, i-C4H10, and n-C4H10

    Science.gov (United States)

    Lin, Chia-Chieh; Chen, Wei-Yu; Matsui, Hiroyuki; Wang, Niann-Shiah

    2017-08-01

    We measured the rates of abstraction of a hydrogen atom from specific sites in propane C3H8, 2-methyl propane (i-C4H10), and butane (n-C4H10); the sites are a primary hydrogen of C3H8 and i-C4H10 and a secondary hydrogen of n-C4H10. The excellent reproducibility of conditions of a diaphragm-less shock tube enabled us to conduct comparative measurements of the evolution of H atoms in three mixtures—(i) 0.5 ppm C2H5I + Ar, (ii) 0.5 ppm C2H5I + 50-100 ppm alkane as C3H8 or i-C4H10 or n-C4H10 + Ar, and (iii) the same concentrations of alkane + Ar without C2H5I—in the temperature range 1000-1200 K and at a pressure of 2.0 bars. The net profile of rise and decay of H atoms in the C2H5I + alkane mixture was derived on subtracting the absorbance of (iii) from that of (ii). Measurements of the mixture (iii) are important because the absorption of alkanes at 121.6 nm is not negligible. In the temperature range 1000-1100 K, the rate of decomposition of C2H5I was evaluated directly on analyzing the exponential growth of H atoms in the mixture (i). The rate of decomposition of C2H5I is summarized as ln(k/s-1) = (33.12 ± 1.4) - (25.23 ± 1.5) 103/T (T = 1000-1100 K, P = 2.0 bars); the broadening factor F(T) in the Lindemann-Hinshelwood formula was evaluated in the fall-off region. The site-specific rates of H + (C3-C4) alkanes are summarized as follows: H + C3H8 → H2 + 1-C3H7, ln(k1a) = -(21.34 ± 0.86) - (5.39 ± 0.93)103/T, H + i-C4H10 → H2 + i-C4H9, ln(k2a) = -(20.50 ± 1.36) - (6.14 ± 0.13)103/T, H + n-C4H10 → H2 + 2-C4H9, ln(k3b) = -(21.37 ± 1.15) - (4.83 ± 1.26)103/T. The present experimental results are compared with published results from quantum-chemical calculations of potential-energy surfaces and transition-state theory. The present experiments are consistent with those calculations for the reaction rates for the attack at the primary site for H + C3H8 and H + i-C4H10, but for the attack at the secondary site of n-C4H10, our results are substantially

  18. Synthesis and profiling of [3H]trantinterol excretion following oral administration of rats

    Institute of Scientific and Technical Information of China (English)

    ZHANG Tian-hong; ZHANG Cheng; YANG Cui-ping; WANG Xiao-ying; LIAO Sha; SUN Mu-zhen; LI Jing-lai; ZHANG Zhen-qing

    2015-01-01

    OBJECTIVE To synthesize[3H]labelled trantinterol and determine the mass balance in rats and the profile of trantinterol and its metabolites in excreta. METHODS [3H]Trantinterol was synthesised from the intermediate1-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-bromo-ethanone through reduction by sodium borotritide and aminolysis by t-butylamine. Following an oral dose of[3H] trantinterol(45.5 MBq·kg-1)to bile duct cannulated(BDC)rats and normal rats. Bile,urine and faeces were collected individually before and after dosing at different times. Liquid scintillation counter(LSC) was used to detect total radioactivity recovery and HPLC/radio-detector for metabolite profiling in urine and bile. RESULTS The majority(73.6%)of the administered radioactivity was recovered in the first 24 h postdose with 48.3%in urine and 25.4%in faeces. It was cumulated to(84.7±6.8)%till 168 h. In BDC rats,29.3%of the dose was recovered in the bile 3 d post-dose. According to the peak area ratio determined by HPLC/radio-detector,only 4.7%and 9.5%of the radioactive dose were excreted as the parent drug in urine and bile,respectively,while the majority of the remaining radioactivity was excreted in the form of various metabolites. CONCLUSION Following oral administration in rats,trantinterol is completely absorbed,extensively metabolized and rapidly excreted mainly in urine as various metabolites.

  19. Synthesis of Novel 2-(Substituted aminoalkylthiopyrimidin-4(3H-ones as Potential Antimicrobial Agents

    Directory of Open Access Journals (Sweden)

    Mohamed I. Attia

    2013-12-01

    Full Text Available 5-Alkyl-6-(substituted benzyl-2-thiouracils 3a,c were reacted with (2-chloroethyl diethylamine hydrochloride to afford the corresponding 2-(2-diethylaminoethylthiopyrimidin- 4(3H-ones 4a,b. Reaction of 3a–c with N-(2-chloroethylpyrrolidine hydrochloride and/or N-(2-chloroethylpiperidine hydrochloride gave the corresponding 2-[2-(pyrrolidin-1-ylethyl]-thiopyrimidin-4(3H-ones 5a–c and 2-[2-(piperidin-1-ylethyl]thiopyrimidin-4(3H-ones 6a,b, respectively. Treatment of 3a–d with N-(2-chloroethylmorpholine hydrochloride under the same reaction conditions formed the corresponding 2-[2-(morpholin-4-ylethyl]thiopyrimidines 6c–f. On the other hand, 3a,b were reacted with N-(2-bromoethylphthalimide and/or N-(3-bromopropylphthalimide to furnish the corresponding 2-[2-(N-phthalimidoethyl]-pyrimidines 7a,b and 2-[3-(N-phthalimido-propyl]pyrimidines 7c,d, respectively. Compounds 3a–d, 4a,b, 5a–c, 6a–f and 7a–d were screened against Gram-positive bacteria (Staphylococcus aureus ATCC 29213, Bacillus subtilis NRRL 4219 and Bacillus cereus, yeast-like pathogenic fungus (Candida albicans ATCC 10231 and a fungus (Aspergillusniger NRRL 599. The best antibacterial activity was displayed by compounds 3a, 3b, 4a, 5a, 5b, 6d, 6f, 7b and 7d, whereas compounds 4b, 5b, 5c, 6a, 6b and 6f exhibited the best antifungal activity.

  20. Mitotic Catastrophe in BC3H1 Cells following Yessotoxin Exposure

    Science.gov (United States)

    Korsnes, Mónica Suárez; Korsnes, Reinert

    2017-01-01

    The marine toxin yessotoxin (YTX) can cause various cytotoxic effects depending on cell type and cell line. It is well known to trigger distinct mechanisms for programmed cell death which may overlap or cross-talk. The present contribution provides the first evidence that YTX can cause genotoxicity and induce mitotic catastrophe which can lead to different types of cell death. This work also demonstrates potential information gain from non-intrusive computer-based tracking of many individual cells during long time. Treatment of BC3H1 cells at their exponential growth phase causes atypical nuclear alterations and formation of giant cells with multiple nuclei. These are the most prominent morphological features of mitotic catastrophe. Giant cells undergo slow cell death in a necrosis-like manner. However, apoptotic-like cell death is also observed in these cells. Electron microscopy of treated BC3H1 cells reveal uncondensed chromatin and cells with double nuclei. Activation of p-p53, p-H2AX, p-Chk1, p-ATM, and p-ATR and down-regulation of p-Chk2 indicate DNA damage response and cell cycle deregulation. Micronuclei formation further support this evidence. Data from tracking single cells reveal that YTX treatment suppresses a second round of cell division in BC3H1 cells. These findings suggest that YTX can induce genomic alterations or imperfections in chromosomal segregation leading to permanent mitotic failure. This understanding extends the list of effects from YTX and which are of interest to control cancer and tumor progression.

  1. The 3 H and BMSEST Models for Spirituality in Multicultural Whole-Person Medicine

    Science.gov (United States)

    Anandarajah, Gowri

    2008-01-01

    PURPOSE The explosion of evidence in the last decade supporting the role of spirituality in whole-person patient care has prompted proposals for a move to a biopsychosocial-spiritual model for health. Making this paradigm shift in today’s multicultural societies poses many challenges, however. This article presents 2 theoretical models that provide common ground for further exploration of the role of spirituality in medicine. METHODS The 3 H model (head, heart, hands) and the BMSEST models (body, mind, spirit, environment, social, transcendent) evolved from the author’s 12-year experience with curricula development regarding spirituality and medicine, 16-year experience as an attending family physician and educator, lived experience with both Hinduism and Christianity since childhood, and a lifetime study of the world’s great spiritual traditions. The models were developed, tested with learners, and refined. RESULTS The 3 H model offers a multidimensional definition of spirituality, applicable across cultures and belief systems, that provides opportunities for a common vocabulary for spirituality. Therapeutic options, from general spiritual care (compassion, presence, and the healing relationship), to specialized spiritual care (eg, by clinical chaplains), to spiritual self-care are discussed. The BMSEST model provides a conceptual framework for the role of spirituality in the larger health care context, useful for patient care, education, and research. Interactions among the 6 BMSEST components, with references to ongoing research, are proposed. CONCLUSIONS Including spirituality in whole-person care is a way of furthering our understanding of the complexities of human health and well-being. The 3 H and BMSEST models suggest a multidimensional and multidisciplinary approach based on universal concepts and a foundation in both the art and science of medicine. PMID:18779550

  2. Nuclear charge symmetry breaking and the /sup 3/H-/sup 3/He binding energy difference

    Energy Technology Data Exchange (ETDEWEB)

    Brandenburg, R.A.; Chulick, G.S.; Kim, Y.E.; Klepacki, D.J.; Machleidt, R.; Picklesimer, A.; Thaler, R.M.

    1988-02-01

    We study the /sup 3/H- /sup 3/He binding energy difference, taking into account the Coulomb interaction and charge symmetry breaking of the nuclear force consistent with recent NN experimental data. Realistic interactions are generated which describe the charge symmetry violations reflected in the different nucleon-nucleon scattering lengths. The influence of nuclear charge symmetry breaking on the perturbative Coulomb contribution to the /sup 3/He binding energy is discussed. It is shown that the experimental mass difference can be explained by these and theoretical estimates of other known effects.

  3. Nuclear charge symmetry breaking and the 3H-3He binding energy difference

    Science.gov (United States)

    Brandenburg, R. A.; Chulick, G. S.; Kim, Y. E.; Klepacki, D. J.; Machleidt, R.; Picklesimer, A.; Thaler, R. M.

    1988-02-01

    We study the 3H- 3He binding energy difference, taking into account the Coulomb interaction and charge symmetry breaking of the nuclear force consistent with recent NN experimental data. Realistic interactions are generated which describe the charge symmetry violations reflected in the different nucleon-nucleon scattering lengths. The influence of nuclear charge symmetry breaking on the perturbative Coulomb contribution to the 3He binding energy is discussed. It is shown that the experimental mass difference can be explained by these and theoretical estimates of other known effects.

  4. PURIFICATION OF MONOCLONAL ANTIBODY 3H11 AGAINST GASTRIC CANCER FOR IN VIVO USE

    Institute of Scientific and Technical Information of China (English)

    LI Zhen-fu; ZHANG Hong; NIU Yong-ge

    1999-01-01

    Monoclonal antibody (McAb) 3H11 against gastric cancer was grown in the mouse ascites system. To acquire a clinical grade product for cancer radioimmuno-imaging was purified by two step high performance liquid chromatography (HPLC) protocol using protein A and high-performance hydroxylapatite (HPHT). An analysis of data reported shows the two step HPLC method to be the best purification procedure. This protocol satisfies purity and immunoreactivity requirement, and provides an sample sterility,free-pyrogens, free-mycoplasma and non-specific IgG contamination. This procedure described was capable of generating large amounts of clinical grade monoclonal antibody.

  5. Platelet (/sup 3/H)imipramine binding in affective disorders: trait versus state characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Baron, M.; Barkai, A.; Gruen, R.; Peselow, E.; Fieve, R.R.; Quitkin, F.

    1986-06-01

    Platelet (3H)imipramine binding (Bmax) was determined in 67 patients with major affective illness (33 euthymic bipolar, 34 depressed unipolar) and 58 normal control subjects. Bipolar patients had significantly lower Bmax values than did control subjects. The mean Bmax in the unipolar patients was lower than in the control subjects, but the difference was not statistically significant. Dissociation constant (Kd) values did not distinguish patients in either category from control subjects. The significantly lower Bmax in euthymic bipolar patients and the apparent state independence of Bmax in some but not all unipolar patients suggest that platelet imipramine binding may be a trait marker in a subset of affective disorders.

  6. 1-(4-Methylbenzyl-1H-benzimidazol-2(3H-one

    Directory of Open Access Journals (Sweden)

    Lahcen El Ammari

    2013-01-01

    Full Text Available In the title compound, C15H14N2O, the fused five- and six-membered ring system is essentially planar, the maximum deviation from the mean plane being 0.009 (1 Å. The benzimidazol-2(3H-one residue is nearly perpendicular to the benzyl ring, forming a dihedral angle of 77.41 (6°. In the crystal, inversion dimers are formed by pairs of N—H...O hydrogen bonds; these dimers are linked by weak C—H...O interactions into a two-dimensional array in the (102 plane.

  7. Eu{sub 2}(PO{sub 3}H){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Foulon, J.D. [Ecole Nationale Superieure de Chimie, 34 - Montpellier (France). Lab. de Physicochimie des Materiaux; Durand, J. [Ecole Nationale Superieure de Chimie, 34 - Montpellier (France). Lab. de Physicochimie des Materiaux; Cot, L. [Ecole Nationale Superieure de Chimie, 34 - Montpellier (France). Lab. de Physicochimie des Materiaux; Tijani, N. [Laboratoire de Chimie Minerale Appliquee, Fes (Morocco). Faculte des Sciences; Rafiq, M. [Laboratoire de Chimie Minerale Appliquee, Fes (Morocco). Faculte des Sciences

    1995-03-15

    The structure of dieuropium tris(hydrogen phosphite), Eu{sub 2}(PO{sub 3}H){sub 3}, contains three independent phosphite anions. One Eu{sup 3+} cation is eight-coordinate whereas the other is only seven-coordinate. One [EuO{sub 8}] dodecahedron and one monocapped [EuO{sub 7}] 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.).

  8. Labelling of ochratoxins with sup 3 H or sup 125 I

    Energy Technology Data Exchange (ETDEWEB)

    Schmiedova, D.; Veres, K.; Cerny, B. (Ceskoslovenska Akademie Ved, Prague (Czechoslovakia). Ustav Nuklearni Biologie a Radiochemie); Ruprich, J. (Institut Hygieny a Epidemiologie, Prague (Czechoslovakia)); Nemecek, J. (Slovak Academy of Sciences, Prague (Czechoslovakia). Inst. of Microbiology)

    1989-01-01

    Catalytic hydrogenation of ochratoxin A by carrier-free tritium was used to prepare {sup 3}H-ochratoxin B with a high specific activity. Iodination of ochratoxin B by carrier-free Na {sup 125}I using the chloramine method yielded {sup 125}I-ochratoxin with a high specific activity. Another {sup 125}I-derivative of ochratoxin A was prepared by iodination of an ochratoxin A - L-tyrosine-methylester conjugate. All three radioactive preparations were found to be useful for radioimmunoassay. (author).

  9. Improvement of the absorption of /sup 3/H-cholecalciferol by formation of its cyclodextrin complex

    Energy Technology Data Exchange (ETDEWEB)

    Szejtli, J.; Gerloczy, A. (Biochemical Research Laboratory of Chinoin Pharmaceutical and Chemical Works, Budapest (Hungary)); Fonagy, A. (Orszagos Frederic Joliot-Curie Sugarbiologiai es Sugaregeszseguegyi Kutato Intezet, Budapest (Hungary))

    1983-02-01

    Oral administration of ..beta..-cyclodextrin inclusion complex of /sup 3/H-labelled vitamin D/sub 3/ (cholecalciferol) to rats resulted in significantly higher blood radioactivity as with the non-complexed vitamin. Difference in the first 90 minutes was 2.3-2.8 fold, and it remained significantly higher up to the 6th h. After 24 h there was no difference between the blood radioactivity of animals treated with complexed and with non-complexed vitamin D/sub 3/.

  10. Barshay-Temmer test for the 4He( overlined, 3He) 3H reaction

    Science.gov (United States)

    Bruno, M.; Cannata, F.; D'agostino, M.; Fiandri, M. L.; Herman, M.; Hofmann, H. M.; Vuaridel, B.; Grüebler, W.; König, V.; Schmelzbach, P. A.; Elsener, K.

    1989-09-01

    The mechanisms of isospin violation in the reaction 4He( overlined, 3He) 3H is studied, in the framework of a microscopic model. To describe realistically the intermediate 6Li nucleus and the fragment states we use the refined resonating group model (RRGM). A detailed analysis of the matrix elements responsible for the asymmetry of cross sections and vector analyzing powers is presented. The isospin violation is found typically of the order of 5-10% and arises mainly from coupling to intermediate "5 + 1" structures in a two-step mechanism. The agreement with the experimental data is fair.

  11. Benchmark calculation of p-3H and n-3He scattering

    CERN Document Server

    Viviani, M; Lazauskas, R; Fonseca, A C; Kievsky, A; Marcucci, L E

    2016-01-01

    p-3H and n-3He scattering in the energy range above the n-3He but below the d-d thresholds is studied by solving the 4-nucleon problem with a realistic nucleon-nucleon interaction. Three different methods -- Alt, Grassberger and Sandhas, Hyperspherical Harmonics, and Faddeev-Yakubovsky -- have been employed and their results for both elastic and charge-exchange processes are compared. We observe a good agreement between the three different methods, thus the obtained results may serve as a benchmark. A comparison with the available experimental data is also reported and discussed.

  12. POMA analyses as new efficient bioinformatics' platform to predict and optimise bioactivity of synthesized 3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide/carbothioamide analogues.

    Science.gov (United States)

    Ahsan, Mohamed Jawed; Govindasamy, Jeyabalan; Khalilullah, Habibullah; Mohan, Govind; Stables, James P

    2012-12-01

    A series of 43, 3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide/carbothioamide analogues (D01-D43) were analysed using Petra, Osiris, Molinspiration and ALOGPS (POMA) to identify pharmacophore, toxicity prediction, lipophilicity and bioactivity. All the compounds were evaluated for anti-HIV activity. 3-(4-Chlorophenyl)-N-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (D07) was found to be the most active with IC(50)>4.83 μM and CC(50) 4.83 μM. 3-(4-Fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carbothioamide (D41) was found to be the most active compound against bacterial strains with MIC of 4 μg/ml, comparable to the standard drug ciprofloxacin while 3-(4-methoxyphenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (D38) was found to be the most active compound against fungal strains with MIC 2-4 μg/ml, however less active than standard fluconazole. Toxicities prediction by Osiris were well supported and experimentally verified with exception of some compounds. In anticonvulsant screening, 3-(4-fluorophenyl)-N-(4-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (D09) showed maximum activity showing 100% (4/4, 0.25-0.5h) and 75% (3/4, 1.0 h) protection against minimal clonic seizure test without any toxicity.

  13. Nuclear magnetic resonance studies of hydrogen motion in nanostructured Laves-phase hydrides ZrCr(2)H(x) and TaV(2)H(x).

    Science.gov (United States)

    Soloninin, A V; Buzlukov, A L; Skripov, A V; Aleksashin, B A; Tankeyev, A P; Yermakov, A Ye; Mushnikov, N V; Uimin, M A; Gaviko, V S

    2008-07-09

    In order to study the mobility of hydrogen in nanostructured Laves-phase hydrides, we have measured the proton nuclear magnetic resonance (NMR) spectra and the proton spin-lattice and spin-spin relaxation rates in two nanostructured systems prepared by ball milling: ZrCr(2)H(3) and TaV(2)H(1+δ). The proton NMR measurements have been performed at the resonance frequencies of 14, 23.8 and 90 MHz over the temperature ranges 11-424 K (for coarse-grained samples) and 11-384 K (for nanostructured samples). Hydrogen mobility in the ball-milled ZrCr(2)H(3) is found to decrease strongly with increasing milling time. The experimental data suggest that this effect is related to the growth of the fraction of highly distorted intergrain regions where H mobility is much lower than in the crystalline grains. For the nanostructured TaV(2)H(1+δ) system, the ball milling is found to lead to a slight decrease in the long-range H mobility and to a suppression of the fast localized H motion in the crystalline grains.

  14. Study on mouse whole kidney segment to the 3H-GABA uptakd%小白鼠全肾切片对3H-GABA摄取的研究

    Institute of Scientific and Technical Information of China (English)

    肖汉洪

    2003-01-01

    应用放射分析方法,研究了3H-GABA在小白鼠外周组织肾脏切片中的摄取,结果表明,小白鼠全肾切片对3H-GABA的摄取是时间和浓度依赖性的,且是可以饱和的,当培育时间为15 min浓度时3H-GABA摄取达到最高,而3H-GABA浓度为20.3 nmol·L-1时,3H-GABA的摄取也达到最高(P<0.05,n=6~7),另外,药物对全肾切片对3H-GABA的摄取也有影响;青霉素钾、苯巴比妥钠、苦味毒、氯苯氨丁酸、蝇蕈醇均使3H-GABA的摄取明显减少(P<0.05),而荷包牡丹碱却明显地提高3H-GA-BA的摄取(P<0.05).结果提示:小白鼠外周组织中同样存在GABA受体及GABA摄取系统,与中枢组织的区别只是量的不同.

  15. Synthesis and Crystal Structure of the Novel Binuclear Copper Complex Cu2 (C5 H5N)2 (C8 H7O2 )4%新型双核铜配合物Cu2(C5H5N)2(C8H7O2)4的合成及结构

    Institute of Scientific and Technical Information of China (English)

    李黎; 陈帆; 严晨婷; 倪生良

    2012-01-01

    新制备的Cu2(C5H5N)2(C8H7O2)4加入到溶有2-甲基苯甲酸、吡啶的C2H5OH/H2O(1:1,v/v)混合溶剂中反应,得到新的双核铜配合物Cu2(C5H5N)2(C8H7O2)4晶体,结构经x-衍射法表征.晶体结构中,四个苯甲酸离子羧基八个O原子经syn—syn式桥连二个Cu原子成灯笼状,在轴向分别由二个吡啶分子N配位而形成四方锥形几何结构.分子间沿(010)方向,形成折叠假性的六边形紧密堆积结构.配合物CCDC号:856726.%Reactions of thefreshly prepared Cu(OH)2·y H2O precipitate, 2 -methyl benzoic acid with pyridinein C2H5 OH/H2 O ( 1 : 1, v/v) afforded Cu2 (C5H5 N)2 (C8 H7O2 ) 4 ( 1 ). Thecentrosymmetric binuclear compound was structurally characterized by X- ray diffraction methods. In the crystal,four 2 -methyl benzoate anions form a cage around two Cu atoms in a syn -syn configuration, two pyridine molecules are apically bonded to the Cu atoms, which show a square - pyramidal coordination geometry. The molecular packing forms a puckered pseudo - hexagonal close- packed framework in (010). CCDC:856726.

  16. 3-(4-Bromophenyl-4-[2-(4-nitrophenylhydrazinyl]furan-2(5H-one

    Directory of Open Access Journals (Sweden)

    Zhu-Ping Xiao

    2011-11-01

    Full Text Available In the title compound, C16H12BrN3O4, the furan-2(5H-one ring forms a dihedral angle of 33.19 (9° with the 4-bromobenzene unit and is nearly perpendicular to the 4-nitrobenzene segment, making a dihedral angle of 89.93 (10°. In the crystal, N—H...O hydrogen bonds link the molecules, generating an infinite chain along [010]. The chains are linked into a three-dimensional network by C—H...O, C—H...π and π–π contacts [centroid–centroid separation = 3.805 (2 Å].

  17. Density Functional Studies on Isonicotinato Lead(II) Complex [Pb(C5H4NCOO)2

    Institute of Scientific and Technical Information of China (English)

    ZHAO Pu-Su; JIAN Fang-Fang; LI Chun-Lei; ZHENG Jian

    2006-01-01

    The title compound of isonicotinato lead(II) [Pb(C5H4NCOO)2] has been optimized at B3LYP/LANL2DZ level of theory and calculated results show that the lead(II) ion adopts 4-coordinate geometry. Atomic charge distributions indicate that during forming the title compound, each isonicotinic acid ion transfers -0.452 e to lead(II) ion. The electronic spectra calculations show that there exist two absorption bands and the electronic transitions are mainly derived from the contribution of intraligand π→π* transition and ligand-to-metal charge transfer (LMCT) transition. The thermodynamic properties of the title compound at different temperatures have been calculated and corresponding relations between property and temperature have also been obtained. The calcu- lation of the second order optical nonlinearity was carried out, and the molecular hyperpo- larizability was 3.62365*10-30 esu.

  18. Structural morphology of gypsum (CaSO 4·2H 2O), brushite (CaHPO 4·2H 2O) and pharmacolite (CaHAsO 4·2H 2O)

    Science.gov (United States)

    Heijnen, W. M. M.; Hartman, P.

    1991-01-01

    A uniform description of the crystal structures of gypsum ( CaSO4·2 H2O), brushite ( CaHPO4·2 H2O) and pharmacolite ( CaHAsO4·2 H2O) is presented. From these structures, a PBC analysis leads to the following F forms: {020}, {011}, {⦶1}11 {120} and {⦶1}22 (for brushite and pharmacolite the counterfaces ( ⦶h⦶k⦶l) are included). Attachment energies of the gypsum F faces have been calculated in an electrostatic point charge model for various charge distributions in the water molecule and in the sulphate ion. The theoretical habits are all platy or tabular {020} with {120}, {011} and {⦶1}11, the latter being smaller than {011}, in disagreement with observation. Arguments are given that {011} can grow in layers {built1}/{2}d 011, and therefore faster, at a supersaturation for which {⦶1}11 cannot grow in half layers, thus removing the discrepancy between theory and experiment. The curious triangular or trapeziumlike habit of brushite has been related to its crystal structure. The polar habit is ascribed to different adsorption of water and cosolutes on opposite faces. The most important forms are {020} with {⦶1}20, 11{⦶1} and {111}, the latter being an S form. Its appearance is ascribed to a habit change.

  19. Biomass reduction of Salvinia molesta exposed to copper sulfate pentahydrate (CuSO4.5H2O

    Directory of Open Access Journals (Sweden)

    João Pedro Alves de Azevedo Barros

    2015-07-01

    Full Text Available Copper in the aquatic ecosystem may remain adsorbed or be incorporated into the biomass and undergo biomagnification causing unwanted effects to aquatic macrophyte communities. This study evaluated the biomass reduction of Salvinia molesta (Mitchell exposed to copper sulphate pentahydrate (CuSO4.5H2O under laboratory conditions. Approximately 20.5 g of fresh mass (FM of S. molesta (0.74 g dry matter, DM were placed in glass tanks with different concentrations (n = 3 of CuSO4.5H2O as follows: 0.0; 2.0; 4.0; 6.0; and 8.0 mg L-1 for 28 days. The dry mass was determined after each seven-day interval over 28 days and submitted to repeated ANOVA measures, followed by a Tukey test (P<0,05. The results show that macrophyte increased until the seventh day of exposure in all treatments. After this period, the biomass of S. molesta decreased; but there was no significant difference between treatments with copper, except for the 8.0 mg L-1 treatment. The copper treatments decreased the S. molesta biomass an average of 43.2% (0.50 g DM after 28 days. At the end of the experiment, copper absorption in the treatments with 6.0 and 8.0 mg L-1 was on average 77.9% higher than in the treatments with 2 and 4 mg L-1 . The treatments with 6.0 and 8.0 mg L-1 reached their maximum bioaccumulation capacity after 14 days. The results show that contamination of the aquatic environment at concentrations above 2 mg L-1 Cu2+ can reduce the S. molesta biomass by approximately 43%.

  20. Trends and variations in CO, C2H6, and HCN in the Southern Hemisphere point to the declining anthropogenic emissions of CO and C2H6

    Directory of Open Access Journals (Sweden)

    N. B. Jones

    2012-08-01

    Full Text Available We analyse the carbon monoxide (CO, ethane (C2H6 and hydrogen cyanide (HCN partial columns (from the ground to 12 km derived from measurements by ground-based solar Fourier Transform Spectroscopy at Lauder, New Zealand (45° S, 170° E, and at Arrival Heights, Antarctica (78° S, 167° E, from 1997 to 2009. Significant negative trends are calculated for all species at both locations, based on the daily-mean observed time series, namely CO (−0.94 ± 0.47% yr−1, C2H6 (−2.37 ± 1.18% yr−1 and HCN (−0.93 ± 0.47% yr−1 at Lauder and CO (−0.92 ± 0.46% yr−1, C2H6 (−2.82 ± 1.37% yr−1 and HCN (−1.41 ± 0.71% yr−1 at Arrival Heights. The uncertainties reflect the 95% confidence limits. However, the magnitudes of the trends are influenced by the anomaly associated with the 1997–1998 El Niño Southern Oscillation event at the beginning of the time series reported. We calculate trends for each month from 1997 to 2009 and find negative trends for all months. The largest monthly trends of CO and C2H6 at Lauder, and to a lesser degree at Arrival Heights, occur during austral spring during the Southern Hemisphere tropical and subtropical biomass burning period. For HCN, the largest monthly trends occur in July and August at Lauder and around November at Arrival Heights. The correlations between CO and C2H6 and between CO and HCN at Lauder in September to November, when the biomass burning maximizes, are significantly larger that those in other seasons. A tropospheric chemistry-climate model is used to simulate CO, C2H6, and HCN partial columns for the period of 1997–2009, using interannually varying biomass burning emissions from GFED3 and annually periodic but seasonally varying emissions from both biogenic and anthropogenic sources. The model-simulated partial columns of these species compare well with the measured partial columns and the model accurately reproduces seasonal cycles of all three species at both locations. However