基于可控DNA涂层的纳米颗粒自组装模型研究

It is one of the most challenging topics at the forefront of the modern scientific community how to accurately control the basic structural units in the nanometer scale and form the nanostructure with special properties. The project plans to propose nanoparticle self-assembly model based on the controlled DNA coating and achieve the effective control of the self-assembly structure. According to the characteristics of nanostructure and the existing DNA encodings, the constraint equations are established and the encoding rules of DNA coating are proposed in order to realize the controllability of DNA coating.The definition of nanoparticle self-assembly modeling and construction standards are established, and the controlled DNA coating is cured in the special recognition of nanoparticle surface by the appropriate curing method. Then, nanoparticle self-assembly model based on the controlled DNA coating is constructed. Finally, compound arithmetic is regarded as research object, and solution of compound arithmetic and output of computing result are achieved in a self-assembly system. Research results can provide reference value for the realization of the efficient calculation, and may guide the manufacture of new materials to some extent.

如何能在纳米尺度上对基本结构单元进行精确地控制，形成具有特殊性能的纳米复合结构，是当今科学界最具有挑战性的前沿课题之一。本项目拟基于可控DNA涂层建立纳米颗粒自组装模型，实现对自组装体结构的有效控制。该研究首先根据纳米复合结构和已有DNA编码的特点，建立相应的约束方程，构建DNA涂层的编码规则，实现DNA涂层的可控性；然后确立纳米颗粒自组装建模的定义和构建准则，选择合适的固化方法将可控DNA涂层固化在纳米颗粒表面的特殊识别位，进而构建基于可控DNA涂层的纳米颗粒自组装模型；最后以复合运算为研究对象，在一个自组装体系内实现复合运算的求解及运算结果的读取。研究成果可为高效计算的实现提供参考价值，并可在一定程度上指导新材料的制造。

目前，自组装技术在分子计算、图像加密、生物医学、纳米技术等各个邻域都得到了广泛的应用。本项目深入研究了可控DNA涂层的编码理论和与自组装瓦片之间的关联技术，并构建了一些自组装模型的实例。.首先，建立基于组合约束与热力学约束相结合的多重编码规则：① 基于小种群进化的遗传算法的可控DNA涂层编码方法；② 基于改进的蜂群算法的可控DNA涂层编码方法；③基于多目标入侵杂草算法的可控DNA涂层编码序列优化设计。.其次，使用优化算法进行序列比对的研究，利用向量内积和互相关函数等手段对序列的相似性进行分析：①入侵杂草和遗传混合算法的多序列比对方法；②基于向量内积的序列相似性研究；③基于互相关函数的序列相似性分析。.最后，构建自组装模型的实例：①基于嵌入式信息冗余方法的自组装构建方法；②面向复合运算的自组装模型研究；③基于三维DNA自组装技术求解0-1规划问题；④基于PCR技术求解旅行商问题的自组装模型研究。