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arXiv 2407.04027cond-mat.softq-bio.SC
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弧形粒子间的膜介导相互作用强烈依赖于膜曲率

Membrane-mediated interactions between arc-shaped particles strongly depend on membrane curvature

Francesco Bonazzi, Thomas R. Weikl

AI总结:

本文通过粗粒化模拟系统研究弧形粒子在不同曲率管状和球形膜上的膜介导相互作用,发现相互作用自由能随膜曲率增大而显著减弱,并在膜曲率接近粒子曲率时达到最小。

摘要:

除了直接的分子相互作用外,嵌入或吸附在膜上的蛋白质和纳米粒子还会经历由膜介导的间接相互作用。这些膜介导的相互作用源于粒子诱导的膜曲率,可导致粒子组装形成高曲率的球形或管状膜形状,但此前主要针对平面膜或弱弯曲膜进行了定量研究。在本文中,我们利用粗粒化建模和模拟,系统地研究了吸附在多种管状和球形膜形状上的弧形粒子的膜介导相互作用。我们确定了成对相互作用自由能(其中包含由于粒子间距离较近时旋转熵损失而产生的熵贡献),以及根据模拟中观察到的粒子分布得到的、不含熵成分的成对相互作用能。对于曲率较小的膜形状,粒子对的膜介导相互作用自由能超过热能kT,可导致粒子有序排列和聚集。这些相互作用随膜形状曲率的增大而强烈减弱,并且对于膜曲率接近粒子曲率的管状形状而言,相互作用最小。

英文摘要:

Besides direct molecular interactions, proteins and nanoparticles embedded in or adsorbed to membranes experience indirect interactions that are mediated by the membranes. These membrane-mediated interactions arise from the membrane curvature induced by the particles and can lead to assemblies of particles that generate highly curved spherical or tubular membranes shapes, but have mainly been quantified for planar or weakly curved membranes. In this article, we systematically investigate the membrane-mediated interactions of arc-shaped particles adsorbed to a variety of tubular and spherical membrane shapes with coarse-grained modelling and simulations. We determine both the pairwise interaction free energy, with includes entropic contributions due to rotational entropy loss at close particle distances, and the pairwise interaction energy without entropic components from particle distributions observed in the simulations. For membrane shapes with small curvature, the membrane-mediated interaction free energies of particle pairs exceed the thermal energy kT and can lead to particle ordering and aggregation. The interactions strongly decrease with increasing curvature of the membrane shape and are minimal for tubular shapes with membrane curvatures close to the particle curvature.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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