E. Yu. Tupikina, S. G. Yastrebov, “Molecular complexes of glycine with cations H$^{+}$, Ca$^{2+}$, and phosphine oxide H$_{3}$PO”, Pisma v Zhurnal Tekhnicheskoi Fiziki, 2021, Volume 47, Issue 3,Pages 44

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Molecular complexes of glycine with cations H$^{+}$, Ca$^{2+}$, and phosphine oxide H$_{3}$PO

E. Yu. Tupikina^a, S. G. Yastrebov^b

^a Institute of Chemistry, St. Petersburg State University
^b Ioffe Institute, St. Petersburg

Abstract: We present the results of quantum-chemical simulation of two types of molecular complexes of glycine with phosphine oxide H$_{3}$PO, interacting through a proton or a Ca$^{2+}$ cation. The formation of the glycine–Ca$^{2+}$–phosphine oxide complex is energetically more favorable than the formation of a complex with a hydrogen bond. The results present hope that free amino acids can be used to decrease the concentration of calcium cations in regions damaged by calcifications.

Keywords: amino acids, glycine, complexation, calcification, noncovalent interactions, hydrogen bond.

Received: 03.06.2020
Revised: 09.08.2020
Accepted: 19.10.2020

DOI: 10.21883/PJTF.2021.03.50576.18408