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    谷梦鑫, 张良顺, 林嘉平. DNA非均匀功能化纳米粒子的可编程自组装行为[J]. 功能高分子学报, 2020, 33(3): 269-274. doi: 10.14133/j.cnki.1008-9357.20190429003
    引用本文: 谷梦鑫, 张良顺, 林嘉平. DNA非均匀功能化纳米粒子的可编程自组装行为[J]. 功能高分子学报, 2020, 33(3): 269-274. doi: 10.14133/j.cnki.1008-9357.20190429003
    GU Mengxin, ZHANG Liangshun, LIN Jiaping. Programmable Self-Assembly of Non-Uniformly DNA-Functionalized Nanoparticles[J]. Journal of Functional Polymers, 2020, 33(3): 269-274. doi: 10.14133/j.cnki.1008-9357.20190429003
    Citation: GU Mengxin, ZHANG Liangshun, LIN Jiaping. Programmable Self-Assembly of Non-Uniformly DNA-Functionalized Nanoparticles[J]. Journal of Functional Polymers, 2020, 33(3): 269-274. doi: 10.14133/j.cnki.1008-9357.20190429003

    DNA非均匀功能化纳米粒子的可编程自组装行为

    Programmable Self-Assembly of Non-Uniformly DNA-Functionalized Nanoparticles

    • 摘要: DNA非均匀功能化纳米粒子作为一种可编程原子等价物,在多层次自组装结构领域具有重要的应用前景。构建了DNA非均匀功能化纳米粒子的粗粒化模型,并利用分子动力学模拟其自组装过程。通过计算机模拟发现,互补DNA序列间发生杂化反应,纳米粒子形成三维网络状和支化超结构;通过构建纳米粒子自组装结构的几何模型,能够正确预测纳米粒子之间的相对位置及其分布;通过调节互补的DNA功能化纳米粒子的化学计量比,显著地改变了自组装超结构和动力学行为。

       

      Abstract: DNA-functionalized nanoparticles, regarded as the programmable atom equivalent, enable the realization of hierarchically self-assembled superstructures. The self-assembled superstructures possessing unique mechanic, optical and electronic properties have prospective applications in the field of energy conservation, catalysis and medical diagnostics. With the development of nanotechnology, non-uniformly DNA-functionalized nanoparticles with DNA strands regioselectively distributed on the surfaces have been successfully synthesized. Recently, by utilizing the non-uniformly DNA-functionalized nanoparticles, researchers have created nanoparticle superstructures with complex architecture in the lab, such as discrete planet-satellite nanostructures, one-dimensional nanoparticle chains, and even three-dimensional networks. However, the mechanism and design rules of self-assembly of non-uniformly DNA-functionalized nanoparticles remain to be explored. Herein, the coarse-grained model of non-uniformly DNA-functionalized nanoparticles is constructed, and molecular dynamics is utilized to simulate the self-assembly process of DNA-programmable nanoparticles. It is demonstrated that the non-uniformly DNA-functionalized nanoparticles self-assemble into branched or even network-like superstructures through the hybridization of complementary DNA strands. The geometrical model of self-assembled superstructures is proposed to predict the relative position and distribution of nanoparticles inside the superstructures. Sparked by the molecular polymerization, we further explored the effect of stoichiometric ratio on the self-assembly of nanoparticles. The stoichiometric ratio of nanoparticles has remarkable effects on both the architecture of superstructures and the kinetics of DNA-programmable self-assembly of nanoparticles. As the stoichiometric ratio increased from 1.0 to 5.7, the self-assembled superstructures switch from the spanning networks to discrete branched clusters.

       

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