Structure, Dynamics, and Phase Behavior of DOPC/DSPC Mixture Membrane Systems: Molecular Dynamics Simulation Studies
Structure, Dynamics, and Phase Behavior of DOPC/DSPC Mixture Membrane Systems: Molecular Dynamics Simulation Studies
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DOPC/DSPC 混合膜系统的结构、动力学和相行为：分子动力学模拟研究
DOI：
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发表时间：
2016
期刊：
影响因子：
--
通讯作者：
Rakwoo Chang
中科院分区：
文献类型：
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作者：
Seonghan Kim;Rakwoo Chang
采用全原子分子动力学方法模拟了由1，2-二油酰-sn-甘油-3-磷酸胆碱（DOPC）和1，2-二硬脂酰-sn-甘油-3-磷酸胆碱（DSPC）磷脂组成的模型混合物双层膜系统，研究了两个基本参数如脂质组成和温度对混合物膜系统结构、动力学和相行为的影响.虽然纯DSPC膜在323 K时处于凝胶状（L β ′或P β ′）相，但仅升高10 K或用DOPC脂质取代20%的DSPC脂质就可以使凝胶状相转变为完全液晶相（L α）。这种相变伴随着结构性质如单位脂质面积、膜厚度、氘序参数和尾角分布以及动力学性质如迁移率图的急剧变化。我们还观察到，尾角分布的半峰全宽（FWHM）数据以及每脂质面积（或膜厚度）可以用作膜相变的序参量。
Full atomistic molecular dynamics simulations have been performed for model mixture bilayer membrane systems consisting of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) phospholipids to understand the effects of two essential parameters such as lipid composition and temperature on the structural, dynamical, and phase behavior of mixture membrane systems. Although pure DSPC membranes are in the gel-like (L β ′ or P β ′) phase at 323 K, raising the temperature by only 10 K or replacing 20% of DSPC lipids by DOPC lipids can change the gel-like phase into the completely liquid-crystalline phase (L α ). This phase change is accompanied by dramatic change in both structural properties such as area per lipid, membrane thickness, deuterium order parameter, and tail angle distribution, and dynamics properties such as mobility map. We also observe that the full width at half-maximum (FWHM) data of tail angle distribution as well as area per lipid (or membrane thickness) can be used as order parameters for the membrane phase transition.
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影响因子：
3.3
作者：
Klauda, Jeffery B.;Venable, Richard M.;Freites, J. Alfredo;O'Connor, Joseph W.;Tobias, Douglas J.;Mondragon-Ramirez, Carlos;Vorobyov, Igor;MacKerell, Alexander D., Jr.;Pastor, Richard W.
通讯作者：
Pastor, Richard W.
影响因子：
3.4
作者：
Yifei Qi;Xi Cheng;Jumin Lee;J. Vermaas;T. Pogorelov;E. Tajkhorshid;Soohyung Park;Jeffery B. Klauda;W. Im
通讯作者：
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影响因子：
3.4
作者：
Zhao, Jiang;Wu, Jing;Feigenson, Gerald W.
通讯作者：
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影响因子：
3.4
作者：
Kim, Taehoon;Lee, Kyu Il;Im, Wonpil
通讯作者：
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影响因子：
5.5
作者：
Qi, Yifei;Ingolfsson, Helgi I.;Im, Wonpil
通讯作者：
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