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首页> 外文期刊>The Journal of Chemical Physics >Simulations of edge behavior in a mixed-lipid bilayer:Fluctuation analysis
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Simulations of edge behavior in a mixed-lipid bilayer:Fluctuation analysis

机译:混合脂质双层中边缘行为的仿真:波动分析

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Coarse-grained molecular dynamics simulations of lipid bilayer ribbons consisting of a mixture of lipids of different tail lengths have been performed to gain insight into bicelle mixtures.The line tension of the bilayer edge decreases as the mole fraction of short-chain lipids in the system is increased,dropping below zero between 30% and 35%.The mole fraction of short-chain lipids in the ribbon interior is lower than the total mole fraction,as the short-chain lipids segregate towards the edge,but continues to rise even after the line tension vanishes,in contrast to predictions of a two-component two-phase model.The fluctuations of the bilayer edge in both high and low line tension regimes have been analyzed to extract information about the factors that influence the length and shape of the edge.At high line tension the wavelength-dependent in-plane fluctuations of the edge are predicted quantitatively using a simple analytical model using only the line tension as input.Where line tension is vanishing,the fluctuations can be modeled as arising from a combination of harmonic fluctuations around a minimum energy contour length and an in-plane bending elasticity.The estimated value of the in-plane bending modulus is of order 10~(-29)J m,placing the intrinsic persistence length for the edge near the bilayer thickness of 4 nm.
机译:进行了由不同尾巴长度的脂质混合物组成的脂质双层带的粗粒分子动力学模拟,以深入了解比塞勒混合物。双层系统边缘的线张力随系统中短链脂质的摩尔分数而降低增加,下降到零,在30%到35%之间。带内的短链脂质的摩尔分数低于总摩尔分数,因为短链脂质向边缘偏析,但即使在与两分量两相模型的预测相反,线张力消失了。已经分析了在高和低线张力状态下双层边缘的波动,以提取有关影响线长和形状的因素的信息。在高线张力的情况下,仅使用线张力作为输入,使用简单的分析模型就可以定量预测边缘的波长相关的面内波动。裂纹消失,可以将波动建模为最小能量轮廓长度周围的谐波波动和面内弯曲弹性的组合。面内弯曲模量的估计值约为10〜(-29) J m,将本征余辉长度放置在双层厚度4 nm附近的边缘。

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