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Self-assembly of convex particles on spherocylindrical surfaces

机译:球面圆柱表面上凸粒子的自组装

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摘要

The precise control of assembly and packing of proteins and colloids on curved surfaces has fundamental implications in nanotechnology. In this paper, we describe dynamical simulations of the self-assembly of conical subunits around a spherocylindrical template, and a continuum theory for the bending energy of a triangular lattice with spontaneous curvature on a surface with arbitrary curvature. We find that assembly depends sensitively on mismatch between subunit spontaneous curvature and the mean curvature of the template, as well as anisotropic curvature of the template (mismatch between the two principal curvatures). Our simulations predict assembly morphologies that closely resemble those observed in experiments in which virus capsid proteins self-assemble around metal nanorods. Below a threshold curvature mismatch, our simulations identify a regime of optimal assembly leading to complete, symmetrical particles. Outside of this regime we observe defective particles, whose morphologies depend on the degree of curvature mismatch. To learn how assembly is affected by the nonuniform curvature of a spherocylinder, we also study the simpler cases of assembly around spherical and cylindrical cores. Our results show that both the intrinsic (Gaussian) and extrinsic (mean) curvatures of a template play significant roles in guiding the assembly of anisotropic subunits, providing a rich design space for the formation of nanoscale materials.
机译:蛋白质和胶体在曲面上的组装和堆积的精确控制在纳米技术中具有根本意义。在本文中,我们描述了围绕球面圆柱体模板的圆锥形亚基自组装的动力学模拟,以及连续曲面理论,该曲面对具有任意曲率的表面上自发曲率的三角形晶格的弯曲能进行了计算。我们发现组装敏感地取决于亚基自发曲率和模板的平均曲率之间的不匹配,以及模板的各向异性曲率(两个主曲率之间的不匹配)。我们的模拟预测组装形态与在病毒衣壳蛋白围绕金属纳米棒自组装的实验中观察到的形态非常相似。在阈值曲率不匹配以下,我们的仿真确定了导致完整,对称粒子的最佳装配状态。在此范围之外,我们观察到有缺陷的粒子,其形态取决于曲率失配的程度。为了了解球柱体的不均匀曲率如何影响装配,我们还研究了围绕球芯和圆柱芯进行装配的较简单情况。我们的结果表明,模板的本征(高斯)和非本征(平均)曲率在引导各向异性亚基的组装中均起着重要作用,为纳米级材料的形成提供了丰富的设计空间。

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