手性翻转的精准控制是手性材料研究领域面临的重要挑战。本项目拟从经典的环糊精及来源丰富的手性配位分子出发，通过主客体化学与配位化学精准调控超分子手性翻转，获得可宏量制备的手性凝胶、液晶等手性组装材料。利用客体分子在环糊精空腔内的嵌入深度不同对手性的影响，通过控制客体分子链的长短、客体分子交换动力学实现主客体系手性的精准控制；通过淀粉酶引起环糊精水解、光照导致客体异构等调控客体交换动力学，实现主客体系手性的动态控制；以及利用不同金属离子的配位场差异导致配体分子远程构型翻转，控制配位超分子凝胶体系的手性。分别通过分子动力学模拟及量子化学计算理论预测客体在环糊精空腔的结合位置以及配位引起的分子远程构象变化，在理论的指导下实现源于分子层次手性翻转的介观组装及宏观材料手性的精确控制。

Presice control over chairility conversion of optical mateirals remains a significant chanllenge. This project starts from chiral molecules that are abundent in nature to create chariality conversion in bulk materials of hydrogel and liquid crystal with the help of host-guest chemistry and coordination chemistry. By employment the host-guest chemisty of cyclodextrins that display guest position dependent chirality, we are able to achieve the chirality conversion in self-assembled liquid crystal based on the host-guest supramolecules by controlling the exchanging dynamics between the guest in and out the cavity of cyclodextrins; which can be further made into enzyme and photo responsive chirality conversion owing to the enzyme and light triggered change of molar ratio between the guest conversion . We are also able to control the chirality conversion in hydrogels by using the metal coordination interaction, which triggers the conformational change of the coordinating molecule. Since both the host-guest formation and the coordination triggered molecular conformation can be theoritically calculated either with Molecular Dynamics or quatum chemsitry calculation, we expect to achieve precise control over the chirality of the macroscopic liquid crystal and hydrogel based on the chirality conversion at molecular level.