Aqueous solvation dynamics at metal oxide surfaces

Article Abstract:

Time resolved investigation of aqueous solvation is performed, to compare the behavior of bulk water, with water in the proximity of metal oxide surfaces. Results suggest that interfacial water is restricted to a thickness of less than 5 angstrom and the high-frequency collective dynamics of water does not seem to be affected by the interface.

Solvation

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Association and dissociation of an aqueous amphiphile at elevated temperatures

Article Abstract:

The temperature-dependent study of the aggregation and subsequent disaggregation in water of tert-butanol is presented. The results are relevant to the dependence of protein stability and micelle formation on temperature, as both proteins and micelle structures are built from amphiphilic rather than nonpolar subunits.

Protein research

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Theoretical study of the 1,3-hydrogen shift of triazene in water

Article Abstract:

The 1,3-hydrogen shift of triazene in aqueous solution is studied with a combination of QM/MM methods. It is concluded that the participation of water molecule in the proton-shifting process significantly decreases the activation energy and the overall effect of the solvent is somewhat lower, but still important.

Radioactivation analysis, Activation analysis

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