Department of Physics, University of Calcutta,92, A. P. C. Road, Kolkata 700009, India.
Phys Rev E. 2017 Jun;95(6-1):062703. doi: 10.1103/PhysRevE.95.062703. Epub 2017 Jun 19.
The relationship between bilayer stability and lipid head group orientation is reported. In this work, molecular-dynamics simulations are performed to analyze the structure-property relationship of lipid biomembranes, taking into account coarse-grained model lipid interactions. The work explains the molecular scale mechanism of the phase behavior of lipid systems due to ion-lipid or anesthetic-lipid interactions, where reorientations of dipoles play a key role in modifying lipid phases and thereby alter biomembrane function. Our study demonstrates that simple dipolar reorientation is indeed sufficient in tuning a bilayer to a randomly flipped nonbilayer lamellar phase. This study may be used to assess the impact of changes in lipid phase characteristics on biomembrane structure due to the presence of anesthetics and ions.
报道了双层稳定性与脂质头部基团取向之间的关系。在这项工作中，进行了分子动力学模拟，以分析考虑粗粒模型脂质相互作用的脂质生物膜的结构-性质关系。该工作解释了由于离子-脂质或麻醉剂-脂质相互作用导致脂质系统相行为的分子尺度机制，其中偶极子的重取向在修饰脂质相并改变生物膜功能方面起着关键作用。我们的研究表明，简单的偶极子重取向确实足以将双层膜调谐到随机翻转的非双层片状相。这项研究可用于评估由于麻醉剂和离子的存在导致脂质相特性变化对生物膜结构的影响。
