Počet záznamů: 1

Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation

  1. 1.
    0364819 - UOCHB-X 2012 RIV NL eng J - Článek v odborném periodiku
    Ehala, Sille - Toman, Petr - Makrlík, E. - Rathore, R. - Kašička, Václav
    Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation.
    Journal of Chromatography A. Roč. 1218, č. 30 (2011), s. 4982-4987 ISSN 0021-9673
    Grant CEP: GA ČR(CZ) GA203/08/1428; GA ČR(CZ) GA203/09/0675; GA AV ČR 1ET400500402
    Výzkumný záměr: CEZ:AV0Z40550506; CEZ:AV0Z40500505
    Klíčová slova: affinity capillary electrophoresis * density functional theory * hexaarylbenzene derivatives
    Kód oboru RIV: CB - Analytická chemie, separace
    Impakt faktor: 4.531, rok: 2011

    Affinity capillary electrophoresis (ACE) and quantum mechanical density functional theory (DFT) calculations have been employed for the investigation of noncovalent interactions between hexaarylbenzene-based receptor (R) and ammonium cation NH4+. By means of ACE, the binding constant of the NH4R+ complex in methanol was estimated whereas the structural characteristics of NH4R+ complex were determined by DFT calculations.
    Trvalý link: http://hdl.handle.net/11104/0200200