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Charge renormalization of bilayer elastic properties

机译:双层弹性特性的电荷重正化

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By combining molecular dynamics simulations and analytical arguments, we investigate the elastic properties of charged lipid bilayers. We show that electrostatic interactions between the head groups can lead to solidification of the lipid bilayer that would otherwise be in a liquid state if the charges were absent. All elastic parameters of the bilayer such as the bending rigidity κ and the two-dimensional bulk modulus λ and Youngs modulus Y are found to depend on the values of the charges assigned to the lipid head groups. To extract κ and λ, we fit the molecular dynamics data to a standard elastic model for lipid bilayers. Moreover, we analytically obtain the dependence of the Young modulus Y on the relative strengths of electrostatic and van der Waals interactions in the zero temperature limit.
机译:通过结合分子动力学模拟和分析论据,我们调查带电的脂质双层的弹性性质。我们表明头基之间的静电相互作用可以导致脂质双层的固化,否则如果没有电荷,脂质双层将处于液态。发现双层的所有弹性参数,例如抗弯刚度κ和二维体积模量λ和杨氏模量Y都取决于分配给脂质头基的电荷的值。为了提取κ和λ,我们将分子动力学数据拟合为脂质双层的标准弹性模型。此外,我们在零温度范围内通过分析获得了杨氏模量Y对静电和范德华相互作用的相对强度的依赖性。

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