The interface between oxidized phospholipid bilayers and aqueous solutions

Lukasz Cwiklik, Robert Vacha, Michal Petrov, and Pavel Jungwirth


Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic and Center for Complex Molecular Systems and Biomolecules, Flemingovo nám. 2, 16610 Prague 6, Czech Republic,


Oxidation processes in membranes accompany various pathological conditions in organisms, nevertheless the influence of oxidation on the membrane structure is still poorly understood. Here we monitored the time evolution of a massively oxidized phospholipid membranes using molecular dynamics simulations. Oxidation leads to specific acyl chain reorientations. Massive oxidation also destabilized the membrane and, depending on its extent and type, in some cases even destroyed its structure. Creation of stable pores and consequent water penetration was observed as a direct consequence of oxidation. Here, we describe here the molecular mechanisms of this pore formation.