Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China.
J Phys Chem B. 2010 Feb 25;114(7):2353-8. doi: 10.1021/jp909959k.
We develop a novel mesoscale simulation model in order to study the hierarchical self-assembly of soft disklike particles in dilute solutions. In suitable solvent conditions, the soft anisotropic disklike particles first self-assemble into one-dimensional flexible threads, in accord with experiments. Then, intriguingly, the threads reversibly pack into flexible hexagonal bundles by decreasing the solvent quality. Hierarchical self-assembly of this type may be important to provide a strategy to create bundle structures by bottom-up self-assembly with a single type of soft and flexible building block and mimic the bundles commonly found in biological structures.
我们开发了一种新的介观模拟模型，以研究软盘状粒子在稀溶液中的分级自组装。在合适的溶剂条件下，软各向异性盘状粒子首先自组装成一维柔性线，这与实验结果一致。然后，令人惊讶的是，通过降低溶剂质量，这些线可逆地组装成柔性六方束。这种类型的分级自组装可能对于提供一种策略很重要，即用单一类型的软而灵活的构建块进行自下而上的组装来构建束结构，并模拟在生物结构中常见的束。
