基于卟啉的近红外吸收光热颗粒：小分子肽调节的自组装、作用机制和肿瘤治疗应用研究

Peptides have the advantages of high design flexibility, defined structure and good biocompatibility. Therefore, they have attracted much attention in the fields of the assembly of photosensitive pigments and construction of functional materials. In this project, the precise designing for the structure of peptide and adjustment of the thermodynamics and kinetics parameters will be executed, in order to reglulate the assembly forces between the peptide and porphyrin molecular of visible light absorption, then realize the self-assembly of aggregation of near infrared absorption. Combined with computer simulation and theoretical calculation, we will study the effects between the structure of peptides, assembly conditions and the structure of assembly, photophysical and photochemical properties. Besides, we will reveal the relationship between stacking patterns and order degree of the molecular, aggregate mode of porphyrin molecular and the transformation of light energy. It further, we will construct the photo-thermal agents of deep tissue penetration, high efficiency and high security, and achieves the enhancement of the anti-tumor effect. This will provide a new research direction for the light energy transformation of photosensitive pigments and the development of new photothermal nanomaterials.

小分子肽具有设计灵活性高、结构明确、生物相容性好等优势，因此在调节光敏色素组装及功能材料的构筑领域受到诸多关注。本项目通过对小分子肽结构的精确设计、热力学及动力学参数的调节，以实现对可见光吸收的卟啉类分子组装作用力的调节，进而实现具有近红外吸收的聚集体的可控组装。结合计算机模拟和理论计算，深入研究小分子肽结构、组装条件等对组装体结构及光物理、化学性质的影响，揭示组装体内分子的堆积模式及有序度、卟啉类分子的聚集方式与光能转化方式之间的关系。进一步构筑组织穿透深、光能转化效率高、安全性能高的近红外吸收的光热制剂，实现增强的光热抗肿瘤效果。为光敏色素的光能转化模式的改变及新型光热纳米材料的开发提供一种新思路及研究方向。

通过本项目的顺利实施，我们提出了提出了“超分子光热效应”新机制。进一步，通过对小分子肽结构的精确设计、动力学及动力学参数的调节，实现了对可见光吸收的卟啉类分子组装作用力的调节，进而实现了具有近红外吸收的聚集体的可控组装。结合计算模拟，深入研究了小分子肽结构、组装条件等对组装体结构及光物理、化学性能的影响，揭示了组装体内分子的堆积模式及有序度、卟啉类分子的聚集方式与光能转化方式之间的潜在联系。最终，我们构筑了组织穿透深、光能转化效率高、安全性能高的近红外光热制剂，实现增强的光热抗肿瘤效果。高效的完成了项目预期指标，以通讯作者发表学术论文15篇，包括Adv. Mater.，Angew. Chem. Int. Ed.，等高水平学术期刊，培养博士研究生2名、硕士研究生3名。