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Free energy of the edge of an open lipid bilayer based on the interactions of its constituent molecules.
International Journal of Non-Linear Mechanics ( IF 2.8 ) Pub Date : 2015-06-11 , DOI: 10.1016/j.ijnonlinmec.2015.06.001
Meisam Asgari 1 , Aisa Biria 1
Affiliation  

Lipid bilayers are the fundamental constituents of the walls of most living cells and lipid vesicles, giving them shape and compartment. The formation and growing of pores in a lipid bilayer have attracted considerable attention from an energetic point of view in recent years. Such pores permit targeted delivery of drugs and genes to the cell, and regulate the concentration of various molecules within the cell. The formation of such pores is caused by various reasons such as changes in cell environment, mechanical stress or thermal fluctuations. Understanding the energy and elastic behaviour of a lipid-bilayer edge is crucial for controlling the formation and growth of such pores. In the present work, the interactions in the molecular level are used to obtain the free energy of the edge of an open lipid bilayer. The resulted free-energy density includes terms associated with flexural and torsional energies of the edge, in addition to a line-tension contribution. The line tension, elastic moduli, and spontaneous normal and geodesic curvatures of the edge are obtained as functions of molecular distribution, molecular dimensions, cutoff distance, and the interaction strength. These parameters are further analyzed by implementing a soft-core interaction potential in the microphysical model. The dependence of the elastic free-energy of the edge to the size of the pore is reinvestigated through an illustrative example, and the results are found to be in agreement with the previous observations.



中文翻译:

基于其组成分子相互作用的开放脂质双层边缘的自由能。

脂质双层是大多数活细胞和脂质囊泡壁的基本组成部分,赋予它们形状和间隔。近年来,从精力充沛的观点来看,脂质双层中孔的形成和生长引起了相当大的关注。这样的孔允许将药物和基因靶向递送至细胞,并调节细胞内各种分子的浓度。此类孔的形成是由多种原因引起的,例如细胞环境的变化,机械应力或热波动。了解脂质双层边缘的能量和弹性行为对于控制此类孔的形成和生长至关重要。在本工作中,分子水平上的相互作用用于获得开放脂质双层边缘的自由能。除线张力的贡献外,所得的自由能密度还包括与边缘的弯曲和扭转能有关的项。线张力,弹性模量以及边缘的自发法线和测地曲率是分子分布,分子尺寸,截止距离和相互作用强度的函数。通过在微物理模型中实现软核交互作用电位,可以进一步分析这些参数。通过一个示例性例子重新研究了边缘的弹性自由能对孔尺寸的依赖性,发现结果与先前的观察结果一致。边缘的自发法线和测地曲率是分子分布,分子尺寸,截止距离和相互作用强度的函数。通过在微物理模型中实现软核交互作用电位,可以进一步分析这些参数。通过一个说明性的例子重新研究了边缘的弹性自由能对孔尺寸的依赖性,发现结果与先前的观察结果一致。边缘的自发法线和测地曲率是分子分布,分子尺寸,截止距离和相互作用强度的函数。通过在微物理模型中实现软核交互作用电位,可以进一步分析这些参数。通过一个说明性的例子重新研究了边缘的弹性自由能对孔尺寸的依赖性,发现结果与先前的观察结果一致。

更新日期:2015-06-11
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