Effect of chain rigidity on the crystallization of DNA-directed nanoparticle system
Effect of chain rigidity on the crystallization of DNA-directed nanoparticle system
复制标题
链刚性对DNA引导纳米颗粒体系结晶的影响
DOI：
10.1021/acs.macromol.8b01767
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发表时间：
2018
期刊：
影响因子：
5.5
通讯作者：
Wang Rong
中科院分区：
文献类型：
--
作者：
Yu Quyan;Wang Rong
DNA导向纳米粒子(DNA-NP)系统在医疗诊断、传感、数据存储、等离子体和光伏等领域有着广泛的应用。通过分子动力学模拟研究了链刚性对DNA定向纳米粒子结晶的影响。结果表明，刚性链和柔性链可以用来设计有序超分子结构，但作用机理不同。由于DNA杂化作用，含有刚性DNA链的体系可以诱导纳米颗粒重排成体心立方(BCC)晶格。然而，对于柔性链体系，杂化程度很低甚至可以忽略不计，但纳米粒子仍然可以呈现体心立方排列。对于刚性链，DNA结合作用可以在很小的长度范围内诱导BCC的形成，对于过长或过短的链不利于纳米粒子的重排。
The DNA-directed nanoparticle (DNA-NP) system provides various applications in medical diagnosis, sensing, data storage, plasmonics, and photovoltaics. We studied the influence of chain rigidity on DNA-directed nanoparticle crystallization by molecular dynamics simulation. The results showed that the rigid and flexible chains grafted on nanoparticles can be used to design ordered supramolecular structure, but the mechanisms are different. The system with rigid DNA chains can induce nanoparticles’ rearrangement into a body-centered cubic (BCC) lattice due to the DNA hybridization interactions. However, for the flexible chain system, the very low hybridization can even be ignored, yet the nanoparticles can still present BCC arrangement. For rigid chains, DNA binding interactions can induce BCC formation in a very narrow length range and are unfavorable to nanoparticle rearrangement for too long or short chains.