Western Australian Biomedical Research Institute, Curtin Health Innovation Research Institute, School of Biomedical Sciences, Curtin University, P.O. Box U1987, Perth, WA 6845, Australia.
J Phys Chem B. 2012 Oct 4;116(39):11911-23. doi: 10.1021/jp3035538. Epub 2012 Sep 20.
Molecular dynamics simulations have been used to investigate the effect of DMSO on 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) phospholipid bilayers. The concentration of DMSO was varied between 0 and 25.0 mol %. For both lipids, DMSO causes the membrane to expand in the plane of the membrane while thinning normal to that plane. Above a critical concentration, pores in the membrane form spontaneously, and if the concentration is increased further, then the bilayer structure is destroyed. Even at concentrations below those required to induce pores, DMSO readily diffuses across the bilayers. The free-energy profile associated with the diffusion of a DMSO molecules across the membrane has been calculated. The simulations suggest that the DOPC bilayer is more resistant to the deleterious effects of DMSO, both increasing the stability of the membranes and decreasing the rate at which DMSO diffuses across the membrane. In this way, the work highlights the importance of investigating the lipid composition of cell membranes when characterizing the effects of cryosolvents.
分子动力学模拟已被用于研究 DMSO 对 1,2-二棕榈酰-sn-甘油-3-磷酸胆碱 (DPPC) 和 1,2-二油酰基-sn-甘油-3-磷酸胆碱 (DOPC) 磷脂双层的影响。DMSO 的浓度在 0 到 25.0 mol% 之间变化。对于这两种脂质，DMSO 导致膜在膜的平面内扩张，同时在垂直于该平面的方向上变薄。在临界浓度以上，膜中会自发形成孔，如果进一步增加浓度，则双层结构将被破坏。即使在低于诱导孔所需的浓度下，DMSO 也很容易扩散穿过双层。已经计算了与 DMSO 分子穿过膜扩散相关的自由能分布。模拟表明，DOPC 双层对 DMSO 的有害影响更具抵抗力，这既增加了膜的稳定性，又降低了 DMSO 穿过膜的扩散速率。通过这种方式，该研究强调了在描述冷冻保护剂的作用时，研究细胞膜中脂质成分的重要性。
