Jacobs R E, Hudson B, Andersen H C
Proc Natl Acad Sci U S A. 1975 Oct;72(10):3993-7. doi: 10.1073/pnas.72.10.3993.
A model for the chain melting phase transition in dilute aqueous phospholipid bilayer dispersions is presented. This model includes interactions between head groups, between hydrocarbon chains, and within the chains. The head groups are modeled as hard disks which are constrained to lie on a two-dimensional surface separating the aqueous and hydrocarbon regions. The chain statistics problem is treated in an approximate manner using an approach motivated by scaled particle theory to describe the inter-chain steric repulsions in a mathematically tractable way. In this approach the whole system interacts with any given chain through an average lateral pressure which is proportional to the hard disk pressure. Following Nagle, we assume that the steric repulsions between chains and between head groups and the trans-gauche rotation energies are the dominant interactions in determining the transition and we describe the effect of the other interactions with a mean field approximation. Using the known transition temperature of a series of 1,2-diacyl phosphatidyl cholines to adjust two parameters in the theory, the model gives enthalpy and area changes that are in quite reasonable agreement with experiment. Moreover, the curvature observed in the plot of the transition temperature against acyl chain length is reproduced.
提出了一种用于稀水相磷脂双层分散体系中链熔化相变的模型。该模型包括头基之间、烃链之间以及链内的相互作用。头基被建模为硬圆盘,它们被限制在分隔水相和烃相区域的二维表面上。链统计问题采用一种近似方法处理,该方法受标度粒子理论启发,以数学上易于处理的方式描述链间的空间排斥作用。在这种方法中,整个系统通过与硬圆盘压力成正比的平均侧向压力与任何给定的链相互作用。遵循纳格尔的方法,我们假设链之间、头基之间的空间排斥作用以及反式-顺式旋转能是决定相变的主要相互作用,并且我们用平均场近似来描述其他相互作用的影响。利用一系列1,2 - 二酰基磷脂酰胆碱的已知转变温度来调整理论中的两个参数,该模型给出的焓变和面积变化与实验结果相当合理地吻合。此外,还再现了转变温度相对于酰基链长度的曲线中观察到的曲率。