About: Experimental and DFT study on the complexation of Ba2+ with beauvericin

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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 Ba2+(aq) + 1 center dot Sr2+(nb) aY(0)1 center dot Ba2+(nb) + Sr2+(aq) taking place in the two-phase water-nitrobenzene system (1 = beauvericin; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K (ex) (Ba2+, 1 center dot Sr2+) = 1.2 +/- A 0.1. Further, the stability constant of the beauvericin-barium complex (abbrev. 1 center dot Ba2+) in nitrobenzene saturated with water was calculated for a temperature of 25 A degrees C: log beta (nb) (1 center dot Ba2+) = 9.5 +/- A 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the 1 center dot Ba2+ complex species was predicted. From extraction experiments and gamma-activity measurements, the exchange extraction constant corresponding to the equilibrium Ba2+(aq) + 1 center dot Sr2+(nb) aY(0)1 center dot Ba2+(nb) + Sr2+(aq) taking place in the two-phase water-nitrobenzene system (1 = beauvericin; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K (ex) (Ba2+, 1 center dot Sr2+) = 1.2 +/- A 0.1. Further, the stability constant of the beauvericin-barium complex (abbrev. 1 center dot Ba2+) in nitrobenzene saturated with water was calculated for a temperature of 25 A degrees C: log beta (nb) (1 center dot Ba2+) = 9.5 +/- A 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the 1 center dot Ba2+ complex species was predicted. (en)
Title	Experimental and DFT study on the complexation of Ba2+ with beauvericin Experimental and DFT study on the complexation of Ba2+ with beauvericin (en)
skos:prefLabel	Experimental and DFT study on the complexation of Ba2+ with beauvericin Experimental and DFT study on the complexation of Ba2+ with beauvericin (en)
skos:notation	RIV/60460709:41330/13:61040!RIV14-MSM-41330___
http://linked.open...avai/predkladatel	Fakulta životního prostředí
http://linked.open...avai/riv/aktivita	I P S Z
http://linked.open...avai/riv/aktivity	I, P(GAP205/10/2280), S, Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Makrlík, Emanuel
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	Česká zemědělská univerzita v Praze / Fakulta životního prostředí
http://linked.open...dnocenehoVysledku	74003
http://linked.open...ai/riv/idVysledku	RIV/60460709:41330/13:61040
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Beauvericin, Barium cation, Complexation, Extraction and stability constants, Water-nitrobenzene system, DFT calculations, Complex structure (en)
http://linked.open.../riv/klicoveSlovo	Beauvericin Barium cation Water-nitrobenzene system Complex structure Complexation DFT calculations Extraction and stability constants
http://linked.open...odStatuVydavatele	HU - Maďarsko
http://linked.open...ontrolniKodProRIV	[9D9D288AB057]
http://linked.open...i/riv/nazevZdroje	Journal of Radioanalytical and Nuclear Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Photogeneration and charge transport in molecular semiconductors for organic photovoltaics
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	295
http://linked.open...iv/tvurceVysledku	Makrlík, Emanuel Toman, Petr Vaňura, Petr
http://linked.open...ain/vavai/riv/wos	000314895400039
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	0236-5731
number of pages	5 (xsd:int)
http://localhost/t...ganizacniJednotka	41330

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