"RIV/60460709:41330/13:63627!RIV14-MSM-41330___" . . . "0236-5731" . "6"^^ . "1"^^ . "Experimental and theoretical study on the complexation of Ca2+ with beauvericin"@en . "Experimental and theoretical study on the complexation of Ca2+ with beauvericin"@en . "S" . "From extraction experiments and gamma-activity measurements, the exchange extraction constant corresponding to the equilibrium Ca2+(aq) + 1 center dot Sr2+(nb) a double dagger%22 1 center dot Ca2+(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)(Ca2+, 1 center dot Sr2+) = 1.1 +/- A 0.1. Further, the stability constant of the 1 center dot Ca2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 A degrees C: log beta (nb)(1 center dot Ca2+) = 10.1 +/- A 0.2. Finally, by using quantum mechanical density functional level of theory calculations, the most probable structures of the non-hydrated 1 center dot Ca2+ and hydrated 1 center dot Ca2+center dot H2O complex species were predicted."@en . . . . . "Experimental and theoretical study on the complexation of Ca2+ with beauvericin" . . "298" . "From extraction experiments and gamma-activity measurements, the exchange extraction constant corresponding to the equilibrium Ca2+(aq) + 1 center dot Sr2+(nb) a double dagger%22 1 center dot Ca2+(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)(Ca2+, 1 center dot Sr2+) = 1.1 +/- A 0.1. Further, the stability constant of the 1 center dot Ca2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 A degrees C: log beta (nb)(1 center dot Ca2+) = 10.1 +/- A 0.2. Finally, by using quantum mechanical density functional level of theory calculations, the most probable structures of the non-hydrated 1 center dot Ca2+ and hydrated 1 center dot Ca2+center dot H2O complex species were predicted." . . "Makrl\u00EDk, Emanuel" . . "Journal of Radioanalytical and Nuclear Chemistry" . "[34961EE59BD8]" . "Toman, Petr" . "HU - Ma\u010Farsko" . . "Va\u0148ura, Petr" . . . . "1" . "74014" . . "Calcium, Beauvericin, Complexation, Water\u2013nitrobenzene system, Extraction and stability constants, DFT calculations, Structures."@en . . . . . "000324546100025" . . "3"^^ . "RIV/60460709:41330/13:63627" . "Experimental and theoretical study on the complexation of Ca2+ with beauvericin" . "41330" .