About: Complexation of the lithium cation with beauvericin: Experimental and DFT study

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	From extraction experiments and ?-activity measurements, the extraction constant corresponding to the equilibrium Li+(aq) + 1.Na+(nb) ? 1.Li+(nb) + Na+(aq) taking place in the two-phase water-nitrobenzene system (1 = beauvericin; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex(1.Na+) = 0.5 +- 0.1. Further, the stability constant of the 1.Li+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 oC as log ?nb(1.Li+) = 5.6 +- 0.2. By using DFT calculations, the most probable structures of the non-hydrated 1.Li+ and hydrated 1.Li.3H2O complex species were predicted. From extraction experiments and ?-activity measurements, the extraction constant corresponding to the equilibrium Li+(aq) + 1.Na+(nb) ? 1.Li+(nb) + Na+(aq) taking place in the two-phase water-nitrobenzene system (1 = beauvericin; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex(1.Na+) = 0.5 +- 0.1. Further, the stability constant of the 1.Li+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 oC as log ?nb(1.Li+) = 5.6 +- 0.2. By using DFT calculations, the most probable structures of the non-hydrated 1.Li+ and hydrated 1.Li.3H2O complex species were predicted. (en)
Title	Complexation of the lithium cation with beauvericin: Experimental and DFT study Complexation of the lithium cation with beauvericin: Experimental and DFT study (en)
skos:prefLabel	Complexation of the lithium cation with beauvericin: Experimental and DFT study Complexation of the lithium cation with beauvericin: Experimental and DFT study (en)
skos:notation	RIV/60461373:22340/12:43893334!RIV13-MSM-22340___
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	may
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Vaňura, Petr
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	Vysoká škola chemicko-technologická v Praze / Fakulta chemicko-inženýrská
http://linked.open...dnocenehoVysledku	128201
http://linked.open...ai/riv/idVysledku	RIV/60461373:22340/12:43893334
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Structure; Beauvericin; Lithium; Complexation; DFT; Extraction (en)
http://linked.open.../riv/klicoveSlovo	Beauvericin Complexation DFT Extraction Structure Lithium
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[642309A75FCB]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Structure
http://linked.open...in/vavai/riv/obor	CB
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	2012
http://linked.open...v/svazekPeriodika	1024
http://linked.open...iv/tvurceVysledku	Makrlík, Emanuel Toman, Petr Vaňura, Petr
http://linked.open...ain/vavai/riv/wos	000309022400019
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	0022-2860
number of pages	4 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.molstruc.2012.05.009
http://localhost/t...ganizacniJednotka	22340

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