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Nonexchange Sorption of Amino Acids on an AV-17 Anion Exchanger: Quantum-Chemical Simulation

  • PHYSICAL CHEMISTRY OF SURFACE PHENOMENA
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Abstract

The energy of interaction between various amino acids (glycine, alanine, and phenylalanine) and an AV-17 strongly basic anion exchanger in chloride and nitrate ionic forms under nonexchange absorption conditions is assessed by quantum chemistry calculations. We found that the amount of water in the starting fragments of sorption participants, the counterion of the anion exchanger, and the amino acid radical play an important role in energy and in the ratio of different intermolecular interactions (Coulomb, hydrophobic, and hydrogen bonds) to form ion-molecular structures in the ion-exchanger phase.

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ACKNOWLEDGMENTS

The calculations were performed on a Supercomputer Center at the Voronezh State University.

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Authors and Affiliations

  1. Voronezh State University, Voronezh, Russia

    O. N. Khokhlova, E. R. Kashirtseva, V. Yu. Khokhlov & E. S. Trunaeva

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  1. O. N. Khokhlova
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  2. E. R. Kashirtseva
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  3. V. Yu. Khokhlov
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  4. E. S. Trunaeva
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Correspondence to O. N. Khokhlova.

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Translated by A. Tulyabaev

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Khokhlova, O.N., Kashirtseva, E.R., Khokhlov, V.Y. et al. Nonexchange Sorption of Amino Acids on an AV-17 Anion Exchanger: Quantum-Chemical Simulation. Russ. J. Phys. Chem. 95, 762–768 (2021). https://doi.org/10.1134/S0036024421040130

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  • DOI: https://doi.org/10.1134/S0036024421040130

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