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首页> 外文期刊>Chemistry and Physics of Lipids >Nanoscopic description of biomembrane electrostatics: results of moleculardynamics simulations and fluorescence probing
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Nanoscopic description of biomembrane electrostatics: results of moleculardynamics simulations and fluorescence probing

机译：生物膜静电的纳米描述：分子动力学模拟和荧光探测的结果

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Electrostatic fields generated on and inside biological membranes are recognized to play a fundamentalrole in key processes of cell functioning. Their understanding requires an adequate description on thelevel of elementary charges and the reconstruction of electrostatic potentials by integration over all ele-mentary interactions. Out of all the available research tools, only molecular dynamics simulations arecapable of this, extending from the atomic to the mesoscopic level of description on the required timeand space scale. A complementary approach is that offered by molecular probe methods, with the appli-cation of electrochromic dyes. Highly sensitive to intermolecular interactions, they generate integratedsignals arising from electric fields produced by elementary charges at the sites of their location. Thisreview is an attempt to provide a critical analysis of these two approaches and their present and potentialapplications. The results obtained by both methods are consistent in that they both show an extremelycomplex profile of the electric field in the membrane. The nanoscopic view, with two-dimensional aver-aging over the bilayer plane and formal separation of the electrostatic potential into surface (Ws), dipole(W d) ) and transmembrane (Wt) potentials, is constructive in the analysis of different functional propertiesof membranes.
机译：人们认识到，在生物膜上和内部产生的静电场在细胞功能的关键过程中起着基本作用。他们的理解需要对基本电荷的水平以及通过整合所有元素相互作用而重建静电势的能力进行充分描述。在所有可用的研究工具中，只有分子动力学模拟能够做到这一点，在所需的时间和空间尺度上，从原子描述扩展到介观描述。分子探针方法提供的一种补充方法是使用电致变色染料。它们对分子间的相互作用高度敏感，会在其所在位置产生由元素电荷产生的电场产生的积分信号。本文旨在提供对这两种方法及其当前和潜在应用的关键分析。通过两种方法获得的结果是一致的，因为它们都显示了膜中电场的极其复杂的轮廓。在双层平面上进行二维平均并且将静电势正式分离为表面（Ws），偶极（W d）和跨膜（Wt）势的纳米视图对于分析不同的功能特性具有建设性膜。

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