Department of Materials Science and Engineering, National University of Singapore, Singapore 119260.
Langmuir. 2010 Aug 3;26(15):12659-66. doi: 10.1021/la1020143.
We develop a multicomponent membrane coarse-grained model in which the effects of spontaneous curvature and fluidity are included. This model is used to perform computer simulations to study the phase segregation, domain coarsening, budding and budding off of multicomponent membrane vesicles. Three types of phase diagram are presented with variation of composition, spontaneous curvature, and line tension (the unlike bond energy). Various phases have been observed, including, sphere, biconcave, starfish, capsule, budding, and budding off. Our simulations show that budding off occurs only when the size of a domain is larger than a critical value, and the critical condition is closely related to the spontaneous curvature and line tension. A continuum model is used to predict the critical condition for budding off. Quantitative comparisons are made between the present simulation results and the continuum model predictions, and good agreements have been achieved.
我们开发了一个包含自发曲率和流动性效应的多组分膜粗粒模型。该模型用于进行计算机模拟，以研究多组分膜泡的相分离、畴粗化、出芽和去芽。随着组成、自发曲率和线张力（异类键能）的变化，呈现了三种类型的相图。观察到了各种相，包括球体、双凹面、海星、胶囊、出芽和去芽。我们的模拟表明，只有当一个域的大小大于一个临界值时，才会发生去芽，并且临界条件与自发曲率和线张力密切相关。我们使用连续体模型来预测去芽的临界条件。对现有模拟结果与连续体模型预测之间进行了定量比较，取得了良好的一致性。
