Influence of water environment on modified glycine physicochemical properties
Pavel A. Zhulidin 1, Pavel D. Filin 1, Inna L. Plastun 1, Saratov, Russia, Ruslan Yu. Yakovlev 2, 1 Saratov State Technical University named after Yuri Gagarin, 2 OOO "Smart Polymorph Technologies", Moscow, Russia
Abstract
Using molecular modeling by the density functional theory method with a functional B3LYP
and basis 6-31G (d) we analyse the spectral manifestations of water environment influence on structure and energy characteristics of glycine monomers.The presence of interaction of glycine with water molecules promotes multiple hydrogen bonds, which leads to a change in the physicochemical properties of glycine.
Speaker
Pavel A. Zhulidin
Saratov State Technical University named after Yuri Gagarin
Russia
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