Effect of polyelectrolyte adsorption on lateral distribution and dynamics of anionic lipids: a Monte Carlo study of a coarse-grain model
Effect of polyelectrolyte adsorption on lateral distribution and dynamics of anionic lipids: a Monte Carlo study of a coarse-grain model
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聚电解质吸附对阴离子脂质横向分布和动力学的影响：粗粒模型的蒙特卡罗研究
DOI：
10.1007/s00249-014-0969-6
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发表时间：
2014-06
期刊：
影响因子：
--
通讯作者：
Huang Qingrong
中科院分区：
文献类型：
--
作者：
Yang Yongbiao;Shi Tongfei;An Lijia;Huang Qingrong
我们采用Monte Carlo模拟研究之间的相互作用的吸附性线性柔性阳离子膜和三元混合流体膜含有中性（磷脂酰胆碱，PC），单价（磷脂酰丝氨酸，PS），和多价（磷脂酰肌醇，PIP 2）阴离子脂质。我们系统地探讨了阴离子链长、阴离子电荷密度、阴离子总电荷量和盐溶液离子强度对不同阴离子脂质物种的静态和动态性质的影响。我们的研究结果表明，多价PIP 2脂质占主导地位的聚电解质膜的相互作用和竞争性抑制聚电解质PS结合。当PIP 2的总电荷量小于PIP 2的总电荷量时，PIP 2可以拖动结合的多价脂质在膜上扩散，但不能与PS脂质相互作用。在此条件下，PIP 2脂的扩散行为与Rouse模型预测的扩散行为基本一致，PIP 2脂的吸附量、浓度梯度和分级流动性决定于PIP 2脂的吸附链性质.然而，当PIP 2的总电荷量大于局部PIP 2脂质的总电荷量时，PIP 2进一步结合聚电解质-PIP 2复合物周围的PS脂质以实现局部电中性。在这种条件下，部分的PIP 2从膜上解吸并显示出更快的迁移率，并且结合的PS呈现出比分离的PIP 2快得多的迁移率。这项工作提供了一个解释的异质性形成不同的阴离子脂质的吸附诱导。
We employ Monte Carlo simulations to investigate the interaction between an adsorbing linear flexible cationic polyelectrolyte and a ternary mixed fluid membrane containing neutral (phosphatidylcholine, PC), monovalent (phosphatidylserine, PS), and multivalent (phosphatidylinositol, PIP2) anionic lipids. We systematically explore the influences of polyelectrolyte chain length, polyelectrolyte charge density, polyelectrolyte total charge amount, and salt solution ionic strength on the static and dynamic properties of different anionic lipid species. Our results show that the multivalent PIP2lipids dominate the polyelectrolyte–membrane interaction and competitively inhibit polyelectrolyte–PS binding. When the total charge amount of the polyelectrolyte is less than that of the local oppositely charged PIP2lipids, the polyelectrolyte can drag the bound multivalent lipids to diffuse on the membrane, but cannot interact with the PS lipids. Under this condition, the diffusion behaviors of the polyelectrolyte closely follow the prediction of the Rouse model, and the polyelectrolyte chain properties determine the adsorption amount, concentration gradients, and hierarchical mobility of the bound PIP2lipids. However, when the total charge amount of the polyelectrolyte is larger than that of the local PIP2lipids, the polyelectrolyte further binds the PS lipids around the polyelectrolyte–PIP2complex to achieve local electrical neutrality. In this condition, parts of the polyelectrolyte desorb from the membrane and show faster mobility, and the bound PS presents much faster mobility than the segregated PIP2. This work provides an explanation for heterogeneity formation in different anionic lipids induced by polyelectrolyte adsorption.
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影响因子：
4.6
作者：
I. Porcar;Rosa García;C. Gómez;A. Campos;C. Abad
通讯作者：
I. Porcar;Rosa García;C. Gómez;A. Campos;C. Abad
影响因子：
3.9
作者：
H. Clausen‐Schaumann;H. Gaub
通讯作者：
H. Clausen‐Schaumann;H. Gaub
影响因子：
3.4
作者：
May, S;Harries, D;Ben-Shaul, A
通讯作者：
Ben-Shaul, A
影响因子：
2.9
作者：
Cicchetti, G;Biernacki, M;Allen, PG
通讯作者：
Allen, PG
影响因子：
--
作者：
D. Murray;A. Arbuzova;B. Honig;Stuart McLaughlint
通讯作者：
D. Murray;A. Arbuzova;B. Honig;Stuart McLaughlint