Abstract

Molecular dynamics has been employed to study conformational rearrangements of polyampholytic and uniformly charged polypeptides adsorbed on the surface of a transversely polarized nanowire, in particular, upon rotation of the polarizing electric field vector. On the surface of the transversely polarized nanowire, a fringe consisting of polyampholitic polypeptide macromolecules is protruded in the direction of polarization, while uniformly charged polypeptide is shifted to the polarized regions of the cross section that are charged oppositely to the charge of macrochain units. The larger the distance between oppositely charged units in the polyampholytic polypeptide, the higher the ratio between the fringe thicknesses in the direction of polarization and in the orthogonal direction in the cross section plane. In an electric field rotating around the axis of the metal nanowire, uniformly charged polypeptides adsorbed on its surface rotate around the wire in the same direction. The same phenomenon has been observed for polyampholytic polypeptides, in which the distances between negatively and positively charged units in macrochains are longer than the half-circumference of the nanowire.

中文翻译：

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旋转电场中金属纳米线表面多肽构象结构的重排：分子动力学模拟

摘要

分子动力学已被用于研究吸附在横向极化纳米线表面上的多两性和均匀带电多肽的构象重排，特别是在极化电场矢量旋转时。在横向极化的纳米线的表面上，由多ampholitic多肽大分子组成的边缘在极化方向上突出，而均匀带电的多肽移动到横截面的极化区域，与大链单元的电荷相反。聚两性多肽中带相反电荷的单元之间的距离越大，则在横截面平面中在偏振方向上和正交方向上的条纹厚度之比就越高。在绕金属纳米线的轴旋转的电场中，吸附在其表面上的带均匀电荷的多肽绕金属线沿相同方向旋转。对于多两性多肽，已经观察到相同的现象，其中大链中带负电荷的单元与带正电荷的单元之间的距离比纳米线的半周长。