Computational study of betulin hydrogen interaction with polar solvent
Pavel D. Filin1, Pavel A. Zhulidin1, Inna L. Plastun1
1Yuri Gagarin State Technical University of Saratov, Saratov, Russia
Abstract
This study employs computational methods, specifically the B3LYP density functional theory, to investigate the hydrogen bonding interactions between betulin and various polar solvents. Betulin is a triterpenoid compound found in Betula pendula and has potential biological and pharmaceutical applications. The research aims to understand the solvation effects and hydrogen bonding energies in different polar environments.
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Pavel D. Filin
Yuri Gagarin State Technical University of Saratov
Russia
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