Laboratorio de Sistemas Complejos, Departamento de Computación, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, 1428 Buenos Aires, Argentina.
J Phys Chem B. 2010 May 27;114(20):6855-65. doi: 10.1021/jp911605b.
We present a numerical study of pore formation in lipid bilayers containing cholesterol (Chol) and subjected to a transverse electric field. Molecular dynamics simulations of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DOPC) membranes reveal the formation of a pore when an electric field of 325 mV/nm is applied. The minimum electric field needed for membrane permeabilization strongly increases with the addition of cholesterol above 10 mol %, reaching 750 mV/nm for 40 mol % Chol. Analysis of simulations of DOPC/Chol bilayers suggests this is caused by a substantial increment of membrane cohesion. Simulations also show that pore formation kinetics is much slower at high Chol contents.
我们对含有胆固醇（Chol）的脂质双层在横向电场作用下的孔形成进行了数值研究。对 1,2-二棕榈酰-sn-甘油-3-磷酸胆碱（DOPC）膜的分子动力学模拟显示，当施加 325 mV/nm 的电场时会形成孔。当胆固醇添加量超过 10 mol%时，使膜渗透性增加所需的最小电场强度会大大增加，当胆固醇含量为 40 mol%时，该值达到 750 mV/nm。对 DOPC/Chol 双层膜模拟的分析表明，这是由于膜内聚的大幅度增加所致。模拟还表明，在高胆固醇含量下，孔形成动力学要慢得多。
