Nonexchange Sorption of Amino Acids on an AV-17 Anion Exchanger: Quantum-Chemical Simulation
| Autor: | V. Yu. Khokhlov, Elizaveta R. Kashirtseva, O. N. Khokhlova, E. S. Trunaeva |
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| Rok vydání: | 2021 |
| Předmět: |
Alanine
chemistry.chemical_classification Hydrogen bond Intermolecular force Inorganic chemistry Ionic bonding Sorption 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Chloride 0104 chemical sciences Amino acid chemistry medicine Physical and Theoretical Chemistry Counterion 0210 nano-technology medicine.drug |
| Zdroj: | Russian Journal of Physical Chemistry A. 95:762-768 |
| ISSN: | 1531-863X 0036-0244 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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