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Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation
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SYSNO ASEP 0364819 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation Author(s) Ehala, Sille (UOCHB-X) RID, ORCID
Toman, Petr (UMCH-V) RID, ORCID
Makrlík, E. (CZ)
Rathore, R. (US)
Kašička, Václav (UOCHB-X) RID, ORCIDNumber of authors 5 Source Title Journal of Chromatography A. - : Elsevier - ISSN 0021-9673
Roč. 1218, č. 30 (2011), s. 4982-4987Number of pages 6 s. Language eng - English Country NL - Netherlands Keywords affinity capillary electrophoresis ; density functional theory ; hexaarylbenzene derivatives Subject RIV CB - Analytical Chemistry, Separation R&D Projects GA203/08/1428 GA ČR - Czech Science Foundation (CSF) GA203/09/0675 GA ČR - Czech Science Foundation (CSF) 1ET400500402 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40550506 - UOCHB-X (2005-2011) AV0Z40500505 - UMCH-V (2005-2011) UT WOS 000293109300026 DOI 10.1016/j.chroma.2011.01.073 Annotation 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. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2012
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