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Affinity capillary electrophoresis and quantum mechanical calculations applied to the investigation of hexaarylbenzene-based receptor binding with lithium ion

SYSNO ASEP	0364855
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Affinity capillary electrophoresis and quantum mechanical calculations applied to the investigation of hexaarylbenzene-based receptor binding with lithium ion
Author(s)	Ehala, Sille (UOCHB-X)_{RID, ORCID} Toman, Petr (UMCH-V)_{RID, ORCID} Rathore, R. (US) Makrlík, E. (CZ) Kašička, Václav (UOCHB-X)_{RID, ORCID}
Number of authors	5
Source Title	Journal of Separation Science. - : Wiley - ISSN 1615-9306 Roč. 34, č. 18 (2011), s. 2433-2440
Number of pages	8 s.
Language	eng - English
Country	DE - Germany
Keywords	affinity capillary electrophoresis ; binding constant ; hexaarylbenzene-based receptor
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	000295968000010
DOI	10.1002/jssc.201100092
Annotation	Two complementary approaches, affinity capillary electrophoresis (ACE) and quantum mechanical density functional theory (DFT) calculations, were applied for quantitative characterization and structure elucidation of the complex between hexaarylbenzene-based receptor R and lithium ion Li+. Firstly, by means of ACE, the apparent binding constant of LiR+ complex in methanol was determined. Secondly, the most probable structures of nonhydrated LiR+ and hydrated LiR+3H2O complexes were derived 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

Number of the records: 1