Discovering the Chemistry of Conserved First-Shell and Active-Site Hydration in Proteins Using Pattern Classification with a Genetic AlgorithmBerkeley Electronic Press Selected WorksMichael L. RaymerWilliam F. PunchPaul C. SanschagrinErik D. Goodman...
The first hydration shell is water excluded from the volume to dissolve solutes. Outside that region, solvent properties depend on the type of ions and its concentration. Water bound to the membrane is sequestered and unable to dissolve solutes. Thus, this region also contributes to the ...
which do not fit really into the scheme of things provided by classical colloid and surfacechemistry. The repulsive forces are very large; they dominate double-
One-Pot Endgroup-Modification of Hydrophobic RAFT Polymers with Cyclodextrin by Thiol-ene Chemistry and the Subsequent Formation of Dynamic Core–Shell Nan... Poly(methyl methacrylate) PMMA, synthesized using reversible addition fragmentation chain transfer (RAFT) polymerization, was heated in a solvent...
Definition of an Intramolecular Eu‐to‐Eu Energy Transfer within a Discrete [Eu2L] Complex in Solution the hydration number obtained from the luminescent lifetimes in H2O and D2O, which pointed to a non-integer value of 0.6 water molecules per TbIII ion... A Nonat,M Regueiro-Figueroa,D Es...
which showed that the hydration shell of biomolecules is not limited to 1–2 layers of strongly bound water, but also includes more distant areas of hydration with altered molecular dynamics. This review examines the fundamental features of the THz frequency range as a source of information about...
A definition of residence time in the coordination shell is proposed and leads to values for the hydration numbers which are consistent with estimates derived from electrochemical measurements. The ionic mobilities are analyzed in terms of a theoretical model involving a nonuniform viscosity. ...
The latter are responsible for frequent exchanges between first and second hydration sphere, leading to an MRT value of 6 ps for first shell ligands.and a very low MRT (<2ps) for those of the second shell, which is equally unsymmetric as the first shell, with ∼5 plus ∼8 ligands....
CalorimetryAqueous solutionsHydration shellAgave fructansInulinWe present a study of the hydration shells of some carbohydrate polymers of commercial and biological importance, namely, agave fructans, inulin, and …[ Jose Antonio Morales-Hernández
Davidson, E.R.; Chakravorty, S.J. A possible definition of basis set superposition error.Chem. Phys. Lett.1994,217, 48–54. [Google Scholar] [CrossRef] Szabo, A.; Ostlund, N.S.Modern Quantum Chemistry Introduction to Advanced Electronic Structure Theory; McGraw-Hill: New York, NY, USA...