全膜电位模型中的膜偶极子电位。在疏水性离子与膜相互作用中的应用。
The membrane dipole potential in a total membrane potential model. Applications to hydrophobic ion interactions with membranes.
作者信息
Flewelling R F, Hubbell W L
出版信息
Biophys J. 1986 Feb;49(2):541-52. doi: 10.1016/S0006-3495(86)83664-5.
Abstract
The total potential energy profile for hydrophobic ion interactions with lipid bilayers can be written as the sum of four terms: the electrical Born, image and dipole contributions, and a neutral energy term. We introduce a specific model for the membrane dipole potential, treating it as a two-dimensional array of point dipoles located near each membrane-water interface. Together with specific theoretical models for the other energy terms, a total potential profile is developed that successfully describes the complete set of thermodynamic parameters for binding and translocation for the two hydrophobic ion structural analogues, tetraphenylphosphonium (TPP+) and tetraphenylboron (TPB-). A reasonable fit to the data is possible if the dipole potential energy has a magnitude of 5.5 + 0.5 kcal/mol (240 + 20 mV), positive inside, and if the neutral energy contribution for TPP+ and TPB- is -7.0 + 1.0 kcal/mol. These results may also have important implications for small ion interactions with membranes and the energetics of charged groups in membrane proteins.
摘要
疏水离子与脂质双层相互作用的总势能曲线可写成四项之和
电玻恩能、镜像能和偶极矩贡献，以及一个中性能量项。我们引入了一种膜偶极矩势的特定模型，将其视为位于每个膜 - 水界面附近的二维点偶极子阵列。结合其他能量项的特定理论模型，得出了一个总势能曲线，该曲线成功地描述了两种疏水离子结构类似物四苯基鏻离子（TPP +）和四苯基硼酸根离子（TPB -）结合与转运的全套热力学参数。如果偶极矩势能的大小为5.5 ± 0.5千卡/摩尔（240 ± 20毫伏），内部为正，并且如果TPP +和TPB -的中性能量贡献为 -7.0 ± 1.0千卡/摩尔，则可以对数据进行合理拟合。这些结果对于小离子与膜的相互作用以及膜蛋白中带电基团的能量学也可能具有重要意义。
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