"HU - Ma\u010Farsko" . . "3" . . "Toman, Petr" . "[9D9D288AB057]" . "Va\u0148ura, Petr" . . "Experimental and DFT study on the complexation of Ba2+ with beauvericin" . . . "Experimental and DFT study on the complexation of Ba2+ with beauvericin"@en . . "000314895400039" . . . . "74003" . . "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." . "Experimental and DFT study on the complexation of Ba2+ with beauvericin" . . . "Experimental and DFT study on the complexation of Ba2+ with beauvericin"@en . . . "5"^^ . "RIV/60460709:41330/13:61040!RIV14-MSM-41330___" . . "41330" . . "3"^^ . "0236-5731" . "1"^^ . "Beauvericin, Barium cation, Complexation, Extraction and stability constants, Water-nitrobenzene system, DFT calculations, Complex structure"@en . . "I, P(GAP205/10/2280), S, Z(AV0Z40500505)" . . . "RIV/60460709:41330/13:61040" . . . "295" . . "Makrl\u00EDk, Emanuel" . "Journal of Radioanalytical and Nuclear Chemistry" . . . "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 .