Dynamic Properties of DNA-Programmable Nanoparticle Crystallization
Dynamic Properties of DNA-Programmable Nanoparticle Crystallization
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DNA 可编程纳米颗粒结晶的动态特性
DOI：
10.1021/acsnano.6b02067
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发表时间：
2016
期刊：
影响因子：
17.1
通讯作者：
Wang Rong
中科院分区：
文献类型：
--
作者：
Yu Qiuyan;Zhang Xuena;Hu Yi;Zhang Zhihao;Wang Rong
DNA杂交动力学在DNA可编程纳米粒子结晶中非常重要。在这里，粗粒度的分子动力学是用来探索的结构和动力学性质的DNA杂交的自互补DNA导向的纳米粒子自组装系统。对于不同接枝DNA链的纳米粒子体系，确定了六方密排（HCP）和密排面心立方（FCC）有序结构，与实验结果吻合较好.最重要的是，借助均方位移，杂交的百分比，和DNA键的寿命，阐明了DNA杂交的动态结晶过程。寿命可以由具有指数形式的DNA去杂交来建模。DNA键的寿命与温度密切相关。在工作中获得了DNA纳米颗粒结晶的合适温度。此外，由于空间效应，过大的体积分数阻碍了自组装过程。这项工作为未来纳米材料的设计提供了一些重要信息。
The dynamics of DNA hybridization is very important in DNA-programmable nanoparticle crystallization. Here, coarse-grained molecular dynamics is utilized to explore the structural and dynamic properties of DNA hybridizations for a self-complementary DNA-directed nanoparticle self-assembly system. The hexagonal close-packed (HCP) and close-packed face-centered cubic (FCC) ordered structures are identified for the systems of different grafted DNA chains per nanoparticle, which are in good agreement with the experimental results. Most importantly, the dynamic crystallization processes of DNA hybridizations are elucidated by virtue of the mean square displacement, the percentage of hybridizations, and the lifetime of DNA bonds. The lifetime can be modeled by the DNA dehybridization, which has an exponential form. The lifetime of DNA bonds closely depends on the temperature. A suitable temperature for the DNA-nanoparticle crystallization is obtained in the work. Moreover, a too large volume fraction hinders the self-assembly process due to steric effects. This work provides some essential information for future design of nanomaterials.