Friesen, Sergej and Fedotova, Marina V. and Kruchinin, Sergey E. and Buchner, Richard (2021) Hydration and dynamics of l-glutamate ion in aqueous solution. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23 (2). pp. 1590-1600. ISSN 1463-9076, 1463-9084
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Aqueous solutions of sodium l-glutamate (NaGlu) in the concentration range 0 < c/M <= 1.90 at 25 degrees C were investigated by dielectric relaxation spectroscopy (DRS) and statistical mechanics (1D-RISM and 3D-RISM calculations) to study the hydration and dynamics of the l-glutamate (Glu(-)) anion. Although at c -> 0 water molecules beyond the first hydration shell are dynamically affected, Glu(-) hydration is rather fragile and for c greater than or similar to 0.3 M apparently restricted to H2O molecules hydrogen bonding to the carboxylate groups. These hydrating dipoles are roughly parallel to the anion moment, leading to a significantly enhanced effective dipole moment of Glu(-). However, l-glutamate dynamics is determined by the rotational diffusion of individual anions under hydrodynamic slip boundary conditions. Thus, the lifetime of the hydrate complexes, as well as of possibly formed [Na(+)Glu(-)](0) ionpairs and l-glutamate aggregates, cannot exceed the characteristic timescale for Glu(-) rotation.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | DIELECTRIC-RELAXATION SPECTROSCOPY; EXTENDED RISM EQUATION; ELECTROLYTE-SOLUTIONS; WATER; SOLVATION; ACID; NEUROTRANSMITTERS; BINDING; MODEL; PAIR |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > PD Dr. Richard Buchner |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 18 Aug 2022 08:56 |
| Last Modified: | 18 Aug 2022 08:56 |
| URI: | https://pred.uni-regensburg.de/id/eprint/46720 |
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