Experimental and theoretical study on complexation of the ammonium cation with enniatin B

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22330%2F15%3A43899370" target="_blank" >RIV/60461373:22330/15:43899370 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/15:68283 RIV/60461373:22340/15:43899370 RIV/60461373:22810/15:43899370
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0167732215000501#" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0167732215000501#</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molliq.2015.01.039" target="_blank" >10.1016/j.molliq.2015.01.039</a>

Result language
angličtina
Original language name
Experimental and theoretical study on complexation of the ammonium cation with enniatin B
Original language description
From extraction experiments and T-activity measurements, the extraction constant corresponding to the equilibrium NH4+(aq) + 1.Na+(nb) reversible arrow 1.NH4+(nb) + Na+(aq) taking place in the two-phase water nitrobenzene system (1 = enniatin B; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K-ex (NH4+, 1.Na+) = 1.9 +/- 0.1. Further, the stability constant of the 1.NH4+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1.NH4+)= 6.4 +/- 0.2. Finally, applying quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1.NH4+ was derived. In the resulting 1.NH4+ complex, the "central" cation NH4+ is bound by three relatively strong hydrogenbonds to the corresponding three carbonyl oxygens of the parent enniatin B ligand. The interaction energy, E(int), of the considered complex 1.NH4+ was found to be - 305.5 kJ/mol, confirming also the formation of this investigated comple
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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