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Hydration and dynamics of l-glutamate ion in aqueous solution†
Sergej Friesen,Marina V. Fedotova,Sergey E. Kruchinin,Richard Buchner
Physical Chemistry Chemical Physics Pub Date : 12/15/2020 00:00:00 , DOI:10.1039/D0CP05489E
Abstract

Aqueous solutions of sodium L-glutamate (NaGlu) in the concentration range 0 < c/M ≤ 1.90 at 25 °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 ≳ 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.

Graphical abstract: Hydration and dynamics of l-glutamate ion in aqueous solution
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