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Molecular Complexes of Glycine with Cations H+, Ca2+, and Phosphine Oxide H3PO


We present the results of quantum-chemical simulation of two types of molecular complexes of glycine with phosphine oxide H3PO, interacting through a proton or a Ca2+ cation. The formation of the glycine–Ca2+–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.

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Correspondence to S. G. Yastrebov.

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The authors declare that they have no conflict of interest.

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Translated by O. Zhukova

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Tupikina, E.Y., Yastrebov, S.G. Molecular Complexes of Glycine with Cations H+, Ca2+, and Phosphine Oxide H3PO. Tech. Phys. Lett. 47, 147–149 (2021).

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  • amino acids
  • glycine
  • complexation
  • calcifications
  • noncovalent interactions
  • hydrogen bond.