The concentrated colloidal dispersion can now be considered as being divided into spherical cells so that each cell contains a single particle and a concentric spherical shell of an electrolyte solution, having an outer radius of certain magnitude such that the particle cell volume ratio in the unit...
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The remaining probes were considered as belonging to the protein hydration shell (HS). For simplicity, the volume of this shell was estimated via the ratio of the number of probes assigned to the HS to the total number of probes created in the box. To discriminate between the native fold ...
These groups are, apparently, surrounded by more than one layer of water molecules: a tightly bound shell, that mostly contributes to the dipole potential, and a second one that may be displaced by proteins and osmotic stress. Hydration water around carbonyl and phosphate groups may change by ...
In contrast, the interaction model posited that sugars substituted for water in the hydration shell of lipids, intercalating into the outer region of the bilayer through a network of hydrogen bonding [4,12,30]. In 2011, Andersen et al. presented an attempt to unify the two theories by ...
II. Open-shell systems and the total energies of the first-row atoms. J. Chem. Phys. 1991, 94, 6081–6090. [CrossRef] 64. Cabani, S.; Gianni, P.; Mollica, V.; Lepori, L. Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution. ...