Statistical Analysis of Acyl Chain Confinement in Lipid Membranes
Statistical Analysis of Acyl Chain Confinement in Lipid Membranes
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脂膜中酰基链限制的统计分析
DOI：
10.1016/j.bpj.2018.11.2732
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发表时间：
2019
影响因子：
3.4
通讯作者：
Petrache, Horia I.
中科院分区：
文献类型：
--
作者：
Ramkumar, Abhinav;Leng, Xiaoling;Petrache, Horia I.
脂膜中酰基链限制的一种测量由从2H NMR光谱获得的序参数提供。使用平均场方法的统计模型可用于将测量参数与各个碳段经历的扭矩场相关，作为沿膜法线沿着位置的函数[1]。我们使用分子动力学（MD）模拟，以确定在何种程度上酰基链构象可以被捕获的平均场近似，特别是对于碳段更接近的双层中心链无序是高的。我们表明，平均场近似持有令人惊讶的是，因此，它可以用来表征整个双层的限制（应力）场。[1]Petrache等人，Biophys. J. 2000年。
One measure of acyl chain confinement in lipid membranes is provided by order parameters that are obtained from 2 H NMR spectroscopy. A statistical model that uses a mean-filed approach can be used to relate the measured parameters to a torque field experienced by the various carbon segments as a function of position along the membrane normal [1]. We use Molecular Dynamics (MD) simulations to determine to what extent acyl chain conformations can be captured by mean-field approximations especially for carbon segments closer to the bilayer center where chain disorder is high. We show that the mean-field approximation holds surprisingly well and it can therefore be used to characterize the confinement (stress) field across the entire bilayer.[1] Petrache et al., Biophys. J. 2000.