Supramolecular cyclization of semiflexible cylindrical micelles assembled from rod-coil graft copolymers
Supramolecular cyclization of semiflexible cylindrical micelles assembled from rod-coil graft copolymers
复制标题
由棒-线圈接枝共聚物组装的半柔性圆柱形胶束的超分子环化
DOI：
10.1039/c9nr07930k
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发表时间：
2020
期刊：
影响因子：
6.7
通讯作者：
Wang Liquan
中科院分区：
文献类型：
--
作者：
Gao Liang;Hu Rui;Xu Pengfei;Lin Jiaping;Zhang Liangshun;Wang Liquan
通过半柔性圆柱形胶束的超分子环化可以构建均匀的环形胶束，但是揭示环化发生的条件和环化的机制仍然是一个挑战。在这项研究中，我们进行了布朗动力学模拟的超分子环化的半柔性的圆柱形胶束形成的棒-线圈接枝共聚物，以获得环化的条件和理解的环化机制。结果表明，聚合物主链的弯曲能与聚合物主链上的侧基之间的自吸引能的平衡在环化过程中起着重要的作用。基于此平衡建立了环化反应机理的理论模型，得到了实现超分子环化反应所需的条件。所提出的机制是支持我们的实验研究结果有关的超分子环化的多肽圆柱形胶束。环化反应条件和反应机理的研究为进一步从半柔性的圆柱形胶束制备均匀的环形胶束提供了指导。
Uniform toroidal micelles can be constructed via the supramolecular cyclization of semiflexible cylindrical micelles, but revealing the conditions under which the cyclization occurs and the mechanism underlying the cyclization remains a challenge. In this study, we performed Brownian dynamics simulations of the supramolecular cyclization of semiflexible cylindrical micelles formed by rod-coil graft copolymers to obtain the cyclization conditions and understand the cyclization mechanism. It was found that the balance of the bending energy of the polymer backbones with the self-attraction energy between the pendant groups on the polymer backbones plays an important role in the cyclization process. A theoretical model based on this balance is developed to explain the cyclization mechanism, and the conditions required for realizing the supramolecular cyclization are obtained. The proposed mechanism is supported by our experimental findings regarding the supramolecular cyclization of polypeptide cylindrical micelles. The cyclization conditions and the revealed mechanism can guide further preparation of uniform toroidal micelles from semiflexible cylindrical micelles in an end-to-end closure manner.