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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. 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. (en)
Title	Experimental and DFT study on the complexation of Zn2+ with valinomycin Experimental and DFT study on the complexation of Zn2+ with valinomycin (en)
skos:prefLabel	Experimental and DFT study on the complexation of Zn2+ with valinomycin Experimental and DFT study on the complexation of Zn2+ with valinomycin (en)
skos:notation	RIV/61389013:_____/09:00330992!RIV10-AV0-61389013
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(1ET400500402), Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika	8
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Dybal, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav makromolekulární chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	314191
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/09:00330992
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	valinomycin; zinc; complexation (en)
http://linked.open.../riv/klicoveSlovo	valinomycin zinc complexation
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[2D3E5F8D4195]
http://linked.open...i/riv/nazevZdroje	Zeitschrift für Kristallographie
http://linked.open...in/vavai/riv/obor	CD
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Computer modelling of chmical structures for the design of macromolecular systems with new biological, mechanical and electronic properties
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	223
http://linked.open...iv/tvurceVysledku	Dybal, Jiří Makrlík, E. Vaňura, P.
http://linked.open...ain/vavai/riv/wos	000270615600005
http://linked.open...n/vavai/riv/zamer	Progresivní makromolekulární materiály a supramolekulární systémy: syntéza a studium vlastností, jevů a možností využití pro speciální aplikace a moderní technologie
issn	0044-2968
number of pages	7 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Experimental and DFT study on the complexation of Zn2+ with valinomycin Experimental and DFT study on the complexation of Zn2+ with valinomycin Experimental and DFT study on the complexation of Zn2+ with valinomycin Experimental and DFT study on the complexation of Zn2+ with valinomycin

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