Predicting asymmetric phospholipid microstructures in solutions.
Predicting asymmetric phospholipid microstructures in solutions.
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预测溶液中的不对称磷脂微观结构
作者：
不对称磷脂微结构，如不对称磷脂膜，在生物和医药过程中具有潜在的应用前景。本文采用耗散粒子动力学模拟方法对水溶液中不对称磷脂的微观结构进行了预测。用链密度分布和序参量对不对称磷脂膜、管和囊泡进行了测定和表征。通过构建相图来评价平衡状态下链长对非对称结构形成的影响，通过计算平均旋转半径和形状因子来分析非平衡状态下的非对称结构形成。同时，我们通过分析溶液中界面张力和渗透压的空间分布来预测不对称膜的力学性能。两种磷脂分子在水溶液中自组装形成不对称膜。
Asymmetric phospholipid microstructures, such as asymmetric phospholipid membranes, have potential applications in biological and medicinal processes. Here, we used the dissipative particle dynamics simulation method to predict the asymmetric phospholipid microstructures in aqueous solutions. The asymmetric phospholipid membranes, tubes and vesicles are determined and characterized by the chain density distributions and order parameters. The phase diagrams are constructed to evaluate the effects of the chain length on the asymmetric structure formations at equilibrium states, while the average radius of gyration and shape factors are calculated to analyze the asymmetric structure formations in the non-equilibrium processes. Meanwhile, we predicted the mechanical properties of the asymmetric membranes by analyzing the spatial distributions of the interface tensions and osmotic pressures in solutions. Two types of phospholipid molecules self-assemble to form an asymmetric membrane in aqueous solution.
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