Abstract

The paper presents results of quantum-chemical modelling of two types of molecular complexes of glycine with phosphine oxide H3PO interacting through a proton or a Ca2 + cation. It demonstrates that the formation of a glycine-Ca2 + - phosphine oxide complex is energetically more favourable than the origination of an aggregate assembling with a hydrogen bond. The results obtained allow us to hope for the use of free amino acids to reduce the concentration of calcium cations in areas damaged by calcifications.

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