PMID: 11913459Mar 27, 2002Paper

Some ways of looking at compensatory kosmotropes and different water environments

Comparative Biochemistry and Physiology. Part A, Molecular & Integrative Physiology
M LeverR G Maclagan

Abstract

Hydration of macromolecular structures determines biological activity. Stabilizing solutes are kosmotropic (increase order of water) rather than chaotropic (decrease order). Preferential hydration of surfaces is a thermodynamic consequence of the solution behavior of kosmotropic solutes, but inconsistencies imply interactions such as the hydration of specific sites within macromolecules. Thermodynamic measures require bulk pure solutes; here simpler measures of the effects on bulk water, water at surfaces and hydration water of probes have been applied to solutes including natural stabilizers, analogues and example chaotropes. Changes in the near-infrared spectra, water proton NMR chemical shifts and relaxation times measure changes in the bulk liquid; HPLC-column retention of solutes indicate interactions with hydration water at different surfaces, and fluorescence probes detect effects on functional group hydration water. Ab initio calculations and Monte-Carlo simulations of the solutes in water measure the energetics of the solute-water interactions, the dipole moments of these molecules, their charge distributions and the effect of the solute molecules on the structure of water. The rankings of the test solutes by these mea...Continue Reading

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Citations

Mar 27, 2009·Biophysical Chemistry·Cezary WatalaDzmitry Shcharbin
Mar 14, 2017·Physical Chemistry Chemical Physics : PCCP·Yohsuke NikawaHiroyuki Ohno
Jun 9, 2020·World Journal of Microbiology & Biotechnology·David J Timson
Dec 10, 2020·Journal of Biomolecular Structure & Dynamics·Venkataharsha Panuganti, Ipsita Roy
Nov 8, 2011·Journal of Chemical Theory and Computation·G SaladinoF L Gervasio

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