Guo Kunkun, Qiu Feng, Zhang Hongdong, Yang Yuliang
The Key Laboratory of Molecular Engineering of Polymers, Ministry of Education, Department of Macromolecular Science, Fudan University, Shanghai 200433, China.
J Chem Phys. 2005 Aug 15;123(7):074906. doi: 10.1063/1.2008248.
We investigate the shape deformation of an infinite membrane anchored by a rigid rod. The density profile of the rod is calculated by the self-consistent-field theory and the shape of the membrane is predicted by the Helfrich membrane elasticity theory [W. Helfrich, Z. Naturforsch. 28c, 693 (1973)]. It is found that the membrane bends away from the rigid rod when the interaction between the rod and the membrane is repulsive or weakly attractive (adsorption). However, the pulled height of the membrane at first increases and then decreases with the increase of the adsorption strength. Compared to a Gaussian chain with the same length, the rigid rod covers much larger area of the membrane, whereas exerts less local entropic pressure on the membrane. An evident gap is found between the membrane and the rigid rod because the membrane's curvature has to be continuous. These behaviors are compared with that of the flexible-polymer-anchored membranes studied by previous Monte Carlo simulations and theoretical analysis. It is straightforward to extend this method to more complicated and real biological systems, such as infinite membrane/multiple chains, protein inclusion, or systems with phase separation.
我们研究了由刚性杆固定的无限大膜的形状变形。通过自洽场理论计算杆的密度分布,并根据赫尔弗里希膜弹性理论[W. 赫尔弗里希,《自然科学研究》28c,693 (1973)]预测膜的形状。结果发现,当杆与膜之间的相互作用为排斥或弱吸引(吸附)时,膜会弯曲远离刚性杆。然而,膜的拉伸高度起初随吸附强度的增加而增加,随后减小。与具有相同长度的高斯链相比,刚性杆覆盖膜的面积大得多,而对膜施加的局部熵压力较小。由于膜的曲率必须连续,因此在膜与刚性杆之间发现了明显的间隙。将这些行为与先前通过蒙特卡罗模拟和理论分析研究的柔性聚合物固定膜的行为进行了比较。将此方法扩展到更复杂和真实的生物系统,如无限大膜/多条链、蛋白质包涵体或具有相分离的系统,是很直接的。