Institute of Informatics, Faculty of Computer Science and Management, Wrocław University of Technology, Wyb. Wyspianskiego 27, Wroclaw, Poland.
Phys Chem Chem Phys. 2011 Oct 21;13(39):17555-63. doi: 10.1039/c1cp21009b. Epub 2011 Sep 6.
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.
脂质氧化对磷脂膜水透过性的影响通过散射停流实验和原子分子动力学模拟进行了研究。结果观察到水孔的形成以及水透过性的显著增强。氧化磷脂分子促进孔的形成，并随后稳定膜内部的水。考虑了从 15 到 100 摩尔%的广泛氧化比。发现氧化程度强烈影响孔打开所需的时间。在模拟中，发现氧化比为 75 摩尔%是在数十纳秒时间尺度上自发形成孔的阈值，而氧化比为 15 摩尔%导致在秒时间尺度上水的显著渗透。一旦形成孔，就发现水透过性几乎与氧化比无关。
