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The role of molecular shape in bilayer elasticity and phase behavior

机译:分子形状在双层弹性和相行为中的作用

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摘要

A previously developed molecular level model for lipid bilayers [G.Brannigan and F.L.H.Brown,J.Chem.Phys.120,1059 (2004)] is extended to allow for variations in lipid length and simulations under constant surface tension conditions.The dependence of membrane elasticity on bilayer thickness is obtained by adjusting lipid length at constant temperature and surface tension.Additionally,bilayer fluidity at various lipid lengths is quantified by analysis of a length versus temperature phase diagram at vanishing tension.Regions of solid,gel-like (hexatic) and fluid bilayer behavior are established by identification of phase boundaries.The main melting transition is found to be density driven;the melting temperature scales inversely with lipid length since thermal expansion increases with lipid aspect ratio.
机译:扩展了先前开发的脂质双层分子水平模型[G.Brannigan和FLHBrown,J.Chem.Phys.120,1059(2004)],以允许脂质长度的变化和在恒定表面张力条件下的模拟。通过在恒定温度和表面张力下调节脂质长度来获得双层厚度上的膜弹性。另外,通过分析消失张力下的长度-温度相图来定量在各种脂质长度下的双层流动性。固体,凝胶状(六羟基通过确定相边界来确定流体的双层行为,主要的熔融转变是由密度驱动的;熔融温度随脂质长度成反比,因为热膨胀随脂质长径比的增加而增加。

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