Pogharian Nicholas, Vlahovska Petia M, Olvera de la Cruz Monica
Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States.
Department of Engineering Sciences and Applied Mathematics, Northwestern University, Evanston, Illinois 60208, United States.
J Phys Chem B. 2024 Sep 26;128(38):9172-9182. doi: 10.1021/acs.jpcb.4c04255. Epub 2024 Sep 17.
As a core component of biological and synthetic membranes, lipid bilayers are key to compartmentalizing chemical processes. Bilayer morphology and mechanical properties are heavily influenced by electric fields, such as those caused by biological ion concentration gradients. We present atomistic simulations exploring the effects of electric fields applied normally and laterally to lipid bilayers. We find that normal fields decrease membrane tension, while lateral fields increase it. Free energy perturbation calculations indicate the importance of dipole-dipole interactions to these tension changes, especially for lateral fields. We additionally show that membrane area compressibilities can be related to their cohesive energies, allowing us to estimate changes in membrane bending rigidity under applied fields. We find that normal and lateral fields decrease and increase bending rigidity, respectively. These results point to the use of directed electric fields to locally control membrane stiffness, thereby modulating associated cellular processes.
作为生物膜和合成膜的核心组成部分,脂质双层对于化学过程的区室化至关重要。双层形态和力学性能受到电场的严重影响,例如由生物离子浓度梯度引起的电场。我们展示了原子模拟,探究垂直和平行于脂质双层施加的电场的影响。我们发现垂直电场会降低膜张力,而平行电场会增加膜张力。自由能微扰计算表明偶极 - 偶极相互作用对这些张力变化的重要性,特别是对于平行电场。我们还表明膜面积压缩性可以与其内聚能相关联,这使我们能够估计施加电场下膜弯曲刚度的变化。我们发现垂直电场和平行电场分别降低和增加弯曲刚度。这些结果表明可利用定向电场局部控制膜刚度,从而调节相关的细胞过程。