Regensburg 2013 – wissenschaftliches Programm
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BP: Fachverband Biologische Physik
BP 18: Membranes and Vesicles I
BP 18.9: Vortrag
Mittwoch, 13. März 2013, 12:00–12:15, H44
Compatible solutes and their effects on DPPC lipid bilayers: a computer simulation study — •Jens Smiatek1, Rakesh Kumar Harishchandra3, Hans-Joachim Galla3, and Andreas Heuer2 — 1Institut für Computerphysik, Universität Stuttgart, Germany — 2Institut für Physikalische Chemie, WWU Münster, Germany — 3Institut für Biochemie, WWU Münster, Germany
The influence of compatible solutes on the properties of DPPC lipid bilayers is studied by semi-isotropic constant pressure (NPT) Molecular Dynamics simulations. Our findings indicate an increase of the surface pressure and the solvent accessible surface area in presence of higher hydroxyectoine concentrations. By free energy calculations of a single DPPC molecule in presence of hydroxyectoine, we are able to validate a modified free solvation energy. As a consequence of this effect, we conclude that the underlying reason for the observed increase of the surface pressure is given by a better solubility of the DPPC lipids. These results are also supported by regarding the ratio of the hydrophilic to the hydrophobic solvent accessible surface area.