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首页> 外文期刊>The Journal of Chemical Physics >Phase behavior of supported lipid bilayers: A systematic study by coarse-grained molecular dynamics simulations
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Phase behavior of supported lipid bilayers: A systematic study by coarse-grained molecular dynamics simulations

机译：支持的脂质双层的相位行为：粗粒分子动力学模拟的系统研究

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摘要

Solid-supported lipid bilayers are utilized by experimental scientists as models for biological membranes because of their stability. However, compared to free standing bilayers, their close proximity to the substrate may affect their phase behavior. As this is still poorly understood, and few computational studies have been performed on such systems thus far, here we present the results from a systematic study based on molecular dynamics simulations of an implicit-solvent model for solid-supported lipid bilayers with varying lipid-substrate interactions. The attractive interaction between the substrate and the lipid head groups that are closest to the substrate leads to an increased translocation of the lipids from the distal to the proximal bilayer-leaflet. This thereby leads to a transbilayer imbalance of the lipid density, with the lipid density of the proximal leaflet higher than that of the distal leaflet. Consequently, the order parameter of the proximal leaflet is found to be higher than that of the distal leaflet, the higher the strength of lipid interaction is, the stronger the effect. The proximal leaflet exhibits gel and fluid phases with an abrupt melting transition between the two phases. In contrast, below the melting temperature of the proximal leaflet, the distal leaflet is inhomogeneous with coexisting gel and fluid domains. The size of the fluid domains increases with increasing the strength of the lipid interaction. At low temperatures, the inhomogeneity of the distal leaflet is due to its reduced lipid density. Published by AIP Publishing.
机译：实验科学家利用固体支持的脂质双层作为生物膜模型，因为它们的稳定性。然而，与自由常设双层相比，它们对基板的紧密接近可能影响它们的相位行为。由于这仍然很清楚，因此在此目前对这种系统进行了很少的计算研究，我们在这里介绍了基于具有不同脂质的固体支持的脂质双层的隐式溶剂模型的分子动力学模拟的系统研究结果。底物相互作用。基材和最靠近基板的脂质头部之间的有吸引力相互作用导致脂质从远侧到近端双层叶片的倾斜增加。由此导致脂质密度的跨界跨膜不平衡，近侧小叶的脂质密度高于远端叶片的脂质密度。因此，发现近侧叶的顺序参数高于远端叶片的顺序参数，脂质相互作用的强度越高，效果越强。近侧叶片表现出凝胶和流体相，两相之间的突然熔化过渡。相反，低于近侧小叶的熔化温度，远端叶片与共存凝胶和流体结构域不均匀。随着脂质相互作用的强度而增加，流体域的尺寸增加。在低温下，远端小叶的不均匀性是由于其降低的脂质密度。通过AIP发布发布。

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