Ultrasonic velocities, densities, viscosities, electrical conductivities, Raman spectra, and molecular dynamics simulations of aqueous solutions of Mg(OAc)(sub 2) and Mg(NO(sub 3))(sub 2): Hofmeister effects and ion pair formation

Article Abstract:

The ultrasonic velocities, densities, viscosities, and electrical conductivities of aqueous solutions of magnesium nitrate and magnesium acetate is measured from dilute to saturation concentrations. The experimental results are supported by molecular dynamics simulations, which reveal the much stronger tendency of OAc(super -) compared to NO(sub 3)(super -) to associate with Mg(super 2+) in aqueous solutions.

Nitrates, Acetates, Chemical properties

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Propensity for the air/water interface and ion pairing in magnesium acetate vs magnesium nitrate solutions: Molecular dynamics simulations and surface tension measurements

Article Abstract:

Molecular dynamics simulations in slab geometry and surface tension measurements are performed for aqueous solutions of magnesium acetate and magnesium nitrate at various concentrations. The simulations have revealed a strong affinity of acetate anions for the surface, while nitrate has displayed only a very weak surface propensity, and magnesium is per se strongly repelled from the air/water interface.

Electric properties

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Specific ion effects at protein surfaces: A molecular dynamics study of bovine pancreatic trypsin inhibitor and horseradish peroxidase in selected salt solutions

Article Abstract:

The distribution of various ions around two proteins, horseradish peroxidase (HRP) and bovine pancreatic trypsin inhibitor (BPTI) is investigated by means of molecular dynamics simulations. Although the two proteins under investigation are very different from each other, the ion distributions around them are remarkably similar.

Protein synthesis, Protein biosynthesis, Trypsin inhibitors

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