title: The effect of lipid oxidation on the water permeability of phospholipids bilayers.
abstract: The effect of lipid oxidation on water permeability of phosphatidylcholine membranes was investigated by means of both scattering stopped flow experiments and atomistic molecular dynamics simulations. Formation of water pores followed by a significant enhancement of water permeability was observed. The molecules of oxidized phospholipids facilitate pore formation and subsequently stabilize water in the membrane interior. A wide range of oxidation ratios, from 15 to 100 mol%, was considered. The degree of oxidation was found to strongly influence the time needed for the opening of a pore. In simulations, the oxidation ratio of 75 mol% was found to be a threshold for spontaneous pore formation in the tens of nanosecond timescale, whereas 15 mol% of oxidation led to significant water permeation in the timescale of seconds. Once a pore was formed, the water permeability was found to be virtually independent of the oxidation ratio.
authors: Institute of Informatics, Faculty of Computer Science and Management, Wrocław University of Technology, Wyb. Wyspianskiego 27, Wroclaw, Poland.
authors: Mateusz
authors: M
authors: Lis
authors: Alicja
authors: A
authors: Wizert
authors: Magda
authors: M
authors: Przybylo
authors: Marek
authors: M
authors: Langner
authors: Jerzy
authors: J
authors: Swiatek
authors: Pavel
authors: P
authors: Jungwirth
authors: Lukasz
authors: L
authors: Cwiklik
mesh_terms: D008051:Lipid Bilayers / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D010084:Oxidation-Reduction; D010539:Permeability; D010713:Phosphatidylcholines / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D008051:Lipid Bilayers; D010713:Phosphatidylcholines; D014867:Water