项目名称： 新型多酶自组装系统的构建及其催化二氧化碳转化反应的基础研究

项目编号： No.91534119

项目类型： 重大研究计划

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 张麟

作者单位： 天津大学

项目金额： 80万元

中文摘要： 多酶协同催化是包括二氧化碳资源化利用等许多化学反应实现高效化的关键。病毒样颗粒（virus-like particle，VLP）是病毒结构蛋白自组装形成的具有规则排布的天然纳米颗粒，可利用其精确调控和组合酶分子以构建多酶催化反应系统。但是，VLP自组装包含多级多层次的复杂界面反应过程，诸多介尺度科学问题尚未解决，造成自组装过程难调控、效率低，制约其应用。因此，本项目以多酶自组装系统构建为目标，利用计算机模拟和实验检测，建立介尺度动态过程模型，研究和揭示此过程的形成机制；综合考察VLP自组装过程的演化规律和稳定性条件，实现VLP的可控自组装；构建新型多酶自组装系统，用于协同催化二氧化碳转化反应。本项目的研究工作将阐释VLP自组装的介尺度动态过程及其调控机理，建立自组装过程定量设计、优化和调控的方法，实现二氧化碳催化转化的多酶自组装系统新体系开发。

中文关键词： 病毒样颗粒；可控自组装；调控；多酶复合物；介尺度

英文摘要： Synergetic catalysis of multi-enzymes is one of the key issues for improving the efficiency of many chemical reactions, such as the conversion of carbon dioxide to methanol for carbon capture and utilization. Virus-like particle (VLP) is a highly organized nanoparticle that self-assembles from viral structural proteins, providing well-arranged reaction sites for controllable combination of different enzyme molecules. Hence, it is preferred for the construction of synergetic catalysis of multi-enzymes. However, self-assembly of VLP is a complicated multilevel multi-interface reaction process with many unsolved mesoscale scientific issues, leading to inefficient self-assembly, difficult regulation and thus limited applications. This project is then aimed at fabricating novel multi-enzyme system from protein self-assembly, based on the research into the key mesoscale scientific issues in this process. It will be carried out using both molecular dynamics simulations and experimental approaches. First, the molecular mechanism of self-assembly will be explored using a constructed mesoscale dynamics model. Second, the stability conditions and regulation of self-assembly will be specified to realize controllable self-assembly of VLP. Finally, novel multi-enzyme system will be fabricated to realize the synergetic catalysis in carbon dioxide utilization. Therefore, this project will provide comprehensive illustrations of the self-assembly of VLP and its regulation mechanism, constructing a protocol for quantitative design, optimization and control of VLP self-assembly. The research project would then facilitate the development of novel multi-enzyme system for the conversion of carbon dioxide to methanol and related technologies.

英文关键词： Virus-like particle;Controllable self-assembly;Regulation;Multi-enzyme complex;Mesoscale