Počet záznamů: 1

Experimental and DFT study on the complexation of Zn2+ with valinomycin

  1. 1.
    0330992 - UMCH-V 2010 RIV DE eng J - Článek v odborném periodiku
    Dybal, Jiří - Makrlík, E. - Vaňura, P.
    Experimental and DFT study on the complexation of Zn2+ with valinomycin.
    Zeitschrift für Kristallographie. Roč. 223, č. 8 (2009), s. 869-875 ISSN 0044-2968
    Grant CEP: GA AV ČR 1ET400500402
    Výzkumný záměr: CEZ:AV0Z40500505
    Klíčová slova: valinomycin * zinc * complexation
    Kód oboru RIV: CD - Makromolekulární chemie
    Impakt faktor: 1.006, rok: 2009

    From extraction experiments and gamma-activity measurements, the exchange extraction constant corresponding to the equilibrium Zn2+(aq) + 1.Sr2+(nb) equil. 1.Zn2+(nb) + Sr2+(aq) in the two-phase water (aq) – nitrobenzene (nb) system (1: valinomycin) was evaluated as -0.2 +/- 0.1. By using quantum mechanical DFT calculations, the most probable structure of the 1.Zn2+ complex species was predicted with the cation in the center of the coordination cavity formed by six ester carbonyls and binding energy of −359.5 kcal/mol.
    Trvalý link: http://hdl.handle.net/11104/0176634