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Extraction and ab initio calculation studies on the complexation of Ca2+ with valinomycin
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SYSNO ASEP 0323504 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Extraction and ab initio calculation studies on the complexation of Ca2+ with valinomycin Title Studium komplexace Ca2+ s valinomycinem pomocí extrakce a ab inicio výpočtů Author(s) Dybal, Jiří (UMCH-V) RID, ORCID
Makrlík, E. (CZ)
Vaňura, P. (CZ)Source Title Journal of Radioanalytical and Nuclear Chemistry. - : Springer - ISSN 0236-5731
Roč. 279, č. 2 (2009), s. 553-559Number of pages 7 s. Language eng - English Country HU - Hungary Keywords valinomycin ; extraction experiments ; DFT calculations Subject RIV CD - Macromolecular Chemistry R&D Projects 1ET400500402 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40500505 - UMCH-V (2005-2011) UT WOS 000262673500026 DOI 10.1007/s10967-008-7344-y Annotation From extraction experiments and γ-activity measurements, the exchange extraction constant corresponding to the equilibrium of Ca2+ with valinomycin taking place in the two-phase water-nitrobenzene system was evaluated. Further, the stability constant of the valinomycin-calcium complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C. By using quantum mechanical DFT calculations, the most probable structure of the complex of valinomycin with Ca2+ and H2O was predicted. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2009
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