Abstract
Computer simulation of interaction of the structural fragments of triterpenoid saponins with the anion exchanger AV-17-2P was carried out using the Gaussian 03 software. The results showed that a decrease in the energy of the system that includes the sum of the energies of electrostatic interactions and hydrogen bonding at the absorption by the anion exchanger of the polar part of the saponin molecule equals 18.9 kJ mol−1 and at the absorption of oleanolic acid, 31.9 kJ mol−1, that is, the sorption capacity of the aglycone was higher than that of glucuronic acid.
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Original Russian Text © N.V. Mironenko, T.A. Brezhneva, E.V. Butyrskaya, V.F. Selemenev, 2012, published in Zhurnal Obshchei Khimii, 2012, Vol. 82, No. 9, pp. 1505–1510.
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Mironenko, N.V., Brezhneva, T.A., Butyrskaya, E.V. et al. Quantum-chemical approach to the justification of the mechanisms of sorption of the triterpenoid saponin by highly basic anion exchanger AB-17-2P in the chloride form. Russ J Gen Chem 82, 1540–1545 (2012). https://doi.org/10.1134/S1070363212090150
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DOI: https://doi.org/10.1134/S1070363212090150