膜切片的经验教训：磷脂/胆固醇双层中堆积、自由面积和横向扩散的相互作用。
Lessons of slicing membranes: interplay of packing, free area, and lateral diffusion in phospholipid/cholesterol bilayers.
作者信息
Falck Emma, Patra Michael, Karttunen Mikko, Hyvönen Marja T, Vattulainen Ilpo
机构信息
Laboratory of Physics and Helsinki Institute of Physics, Helsinki University of Technology, Helsinki, Finland and Wihuri Research Institute, Helsinki, Finland.
出版信息
Biophys J. 2004 Aug;87(2):1076-91. doi: 10.1529/biophysj.104.041368.
We employ 100-ns molecular dynamics simulations to study the influence of cholesterol on structural and dynamic properties of dipalmitoylphosphatidylcholine bilayers in the fluid phase. The effects of the cholesterol content on the bilayer structure are considered by varying the cholesterol concentration between 0 and 50%. We concentrate on the free area in the membrane and investigate quantities that are likely to be affected by changes in the free area and free volume properties. It is found that cholesterol has a strong impact on the free area properties of the bilayer. The changes in the amount of free area are shown to be intimately related to alterations in molecular packing, ordering of phospholipid tails, and behavior of compressibility moduli. Also the behavior of the lateral diffusion of both dipalmitoylphosphatidylcholine and cholesterol molecules with an increasing amount of cholesterol can in part be understood in terms of free area. Summarizing, our results highlight the central role of free area in comprehending the structural and dynamic properties of membranes containing cholesterol.
我们采用100纳秒的分子动力学模拟来研究胆固醇对处于液相的二棕榈酰磷脂酰胆碱双层膜的结构和动力学性质的影响。通过将胆固醇浓度在0%至50%之间变化，来考虑胆固醇含量对双层膜结构的影响。我们关注膜中的自由面积，并研究那些可能会受到自由面积和自由体积性质变化影响的量。结果发现，胆固醇对双层膜的自由面积性质有强烈影响。自由面积量的变化显示出与分子堆积的改变、磷脂尾部的有序性以及压缩模量的行为密切相关。随着胆固醇含量的增加，二棕榈酰磷脂酰胆碱和胆固醇分子的横向扩散行为在一定程度上也可以从自由面积的角度来理解。总之，我们的结果突出了自由面积在理解含胆固醇膜的结构和动力学性质方面的核心作用。
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