Extraction and DFT study of complexation of the cesium cation with beauvericin |
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| Authors: | Emanuel Makrlík Petr Toman and Petr Vaňura |
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| Institution: | (1) Faculty of Environmental Sciences, Czech University of Life Sciences, Prague, Czech Republic;(2) Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic;(3) Department of Analytical Chemistry, Institute of Chemical Technology, Prague, Czech Republic |
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| Abstract: | Abstract From extraction experiments in the two-phase water–nitrobenzene system and γ-activity measurements, the stability constant of the beauvericin–Cs+ complex species dissolved in nitrobenzene saturated with water was determined. By using quantum–mechanical density functional
level of theory (DFT) calculations, the most probable structure of this complex was derived. |
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