自组装微颗粒化学品性能与结构的介尺度关联机制和调控

Polymer microparticles display promising application prospects in the fields of chemical, photoelectric, environmental, energy, pharmaceutical industries, etc. Self-assembly is an important way to the formation of polymer microparticles, the processes of which include: self-assembly of molecules into aggregates→ arrangement of internal molecules and morphological evolution of the aggregates→ association of the aggregates into microparticles. Regarded self-assembly as a common process, the purposes of the project are to investigate the mesoscale mechanism and phenomena, as well as to develop multiscale quantitative structure-property models. The research is carried out in three multiscale levels: micro- and mesoscale, meso- and macroscale, and micro-, meso- and macroscale. (1) Insight from molecule scale to aggregate mesoscale, to explore the formation mechanism and morphological evolution of mesoscale structure, as well as the essential effect of molecule structure and external environment on mesoscale phenomena, revealing their interaction mechanisms. (2) Insight from aggregate mesoscale to microparticle scale, to develop release kinetics models based on the studies of association mechanism of aggregates and the effect of mesoscale phenomena on the structure/property of microparticles. (3) Insight from molecule, aggregate and microparticle scales, to establish multiscale quantitative structure-property models among the structures of molecules and aggregates, and the property of microparticles. Finally, the systematic approaches on the optimal design and control of molecule and mesoscale structures, and the property of microparticles would be proposed to fulfill the desired performances of selected chemical products.

聚合物微颗粒化学品在化工、光电、环境、能源、医药等领域显示广阔的应用前景。自组装是聚合物微颗粒形成的重要方式之一，其过程主要包括分子自组装成聚集体→聚集体内部分子排列、形态演变→聚集体缔合为微颗粒等阶段。本项目以自组装作为一个共性过程，研究其介尺度机理、行为及多尺度定量构效关系模型。主要围绕微-介尺度、介-宏尺度和微-介-宏尺度三个多尺度层次开展研究：（1）从分子尺度到聚集体介尺度，探究介尺度结构的形成机制和形态演变，研究分子结构和外部环境因素对介尺度行为的本质影响，揭示它们的相互关联机制。（2）从聚集体介尺度到微颗粒尺度，研究聚集体缔合过程机理、介尺度行为对微颗粒结构/性能的影响，构建释放动力学模型。（3）在分子、聚集体和微颗粒三个尺度下，建立分子结构、聚集体结构和微颗粒性能的跨尺度定量构效关系模型，提出根据目标需求调控分子和介尺度结构及微颗粒性能的系统方法。

聚合物微颗粒化学品在化工、光电、环境、能源、医药等领域显示广阔的应用前景。自组装是聚合物微颗粒形成的重要方式之一，其过程主要包括分子自组装成聚集体→聚集体内部分子排列、形态演变→聚集体缔合为微颗粒等阶段。本项目以自组装作为一个共性过程，研究其介尺度机理、行为及多尺度定量构效关系模型。主要开展了：（1）基于实际聚合物和胶束实验体系，探究了“洋葱状”胶束和单分子胶束介尺度结构的形成机制、形态演变及对药物/金纳米颗粒分布规律和包载效率的影响和作用机制，研究了分子结构和外部环境因素对介尺度行为的本质影响，揭示了形成“洋葱状”胶束主要取决于静电相互作用和长碳链产生的疏水作用两者的平衡；形成单分子胶束则主要取决于聚合物内部的亲水亲油平衡。（2）探讨了聚合物结构对临界胶束浓度（CMC）、胶束载药量（LC）和药物累积释放量（Er）的影响，建立了分子结构和微颗粒性能的定量构效关系模型，提出根据目标需求调控分子和介尺度结构及微颗粒性能的系统方法。（3）针对自组装胶束稳定性问题，构筑了单分子胶束和交联胶束，提高了药物在目标部分的有效控制释放，并探究了结构和性质的关系。

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