Contribution of omega-3 fatty acids to the thermodynamics of membrane protein solvation

Article Abstract:

A novel thermodynamic explanation is presented for the preferential solvation that is based on the statistical analysis of 26 100 ns all-atom molecular dynamics simulations of rhodopsin in membranes rich in polyunsaturated chains. The results have shown that the preferential solvation by omega-3 chains is entropically driven and all chains experience an entropic penalty when associating with the protein, but the penalty is larger for saturated chains.

Rhodopsin, Thermodynamics, Omega-3 fatty acids, Omega 3 fatty acids

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Prediction of thermodynamic derivative properties of pure fluids through the soft-SAFT equation of state

Article Abstract:

The application of the soft-SAFT equation of state (EoS) to the calculation of some main derivative properties, including heat capacities, reduced bulk modulus, Joule-Thomson coefficient and speed of sound of two families of compounds, n-alkanes and I-alkanols is described. The soft-SAFT is able to capture general trends, including the singularities with respect to density providing quantitative correlation with experimental data.

Alkanes, Chemical thermodynamics, Joule-Thomson effect

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