Dielectric saturation of the hydration shell and interaction between two double helices of DNA in mono- and multivalent electrolyte solutions: Foundations of the [epsilon]-modified Poisson-Boltzmann theory

Article Abstract:

Molecular dynamic simulations are used to determine the potentials of mean force between single [Na.sup.+], [Ca.sup.2+], and [Mg.sup.2+] cations and a highly spherical macroion in SPC/E water. The [epsilon]-modified Poisson-Boltzmann (MPB) results for DNA have indicated that the polarization effects are vital in the case of 2:1 electrolyte and highly charged macromolecules.

Biological Product (except Diagnostic) Manufacturing, Drugs, Deoxyribonucleic Acid, Usage, DNA, Transport theory, Poisson's equation, Hydration (Chemistry)

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Influence of ion properties on the equilibrium and transport properties of electrolyte solutions

Article Abstract:

Strong electrolytes are described in the framework of the primitive model in which the solvent is regarded as a dielectric continuum, using the mean spherical approximation. The analytical solution of the equilibrium and transport properties is dependent on the ions' diameters and valencies and for hydrated or nonspherical ions, an effective diameter must be fitted.

Ions

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Relaxation effect on the Onsager coefficients of mixed strong electrolytes in the mean spherical approximation

Article Abstract:

A study was conducted to derive an expression for the relaxation effect on the Onsager coefficients in mixed electrolytes in the mean spherical approximation (MSA). With a fixed set of diameters the MSA could describe all thermodynamic and transport properties of binary electrolyte solutions and mixtures thereof up to a total salt concentration of about 1 M.

Electrolytes, Relaxation phenomena, Relaxation (Physics)

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