微污染物在水环境中被普遍检出，它们种类多、浓度低、潜在风险大，是水生生态安全与人类健康的重大挑战。水中天然组分干扰常规水处理技术对微污染物的降解去除过程，导致污染物去除的选择性差、效率低。因此，选择、高效的污染控制原理与技术是水体微污染领域的科学难题。本项目通过超分子化学与金属酶化学学科交叉，拟开发新型超分子金属类酶催化体系，将具有类酶催化活性的Fe-TAML共价键合到具有超分子识别功能的环糊精空腔骨架上，制备Fe-TAML键合环糊精及功能材料，可利用环糊精空腔选择性结合与捕捉水中微污染、利用Fe-TAML催化降解所捕捉的微污染物，构筑具有高选择性、高催化降解活性的Fe-TAML键合环糊精分子反应器。将考察该分子反应器对水体中农药、抗生素等微污染物的催化降解性能，揭示其催化反应机理，构建其催化降解效率的的数学模型，尝试将其装置化用于实际水体微污染控制。研究成果预计将为微污染控制提供新思路。

Micropollutants are ubiquitously detected at low levels (ng/L-μg/L) in aquatic systems, comprising thousands of pesticides, antibiotics, PPCPs, and their transformation products. Many micropollutants cause largely long-term adverse effects, challenging aquatic systems and human health. Various unit processes (e.g., adsorption, oxidation, and biological degradation) and combinations of these processes have been developed to remove organic pollutants (mg/L-g/L) in wastewater. However, they often fail to remove aqueous micropollutants with poor selectivity and low efficiency, because of the interference of natural water components that are 3-9 orders of magnitude more concentrated. Therefore, discovering water treatment technologies of good selectivity and high efficiency is one of key scientific issues for the mitigation of micropollutants in aquatic systems. ..This study is aimed at discovering newly supramolecualr metalloenzyme-like catalysts, containing tetraamidomacrocyclic ligand iron (Fe-TAML) function centers and cyclodextrin (CD) skeletons. The idea to discover such catalysts is created in interdisciplinary crossing of Supramolecular Chemistry and Metalloenzyme Chemistry, both of which provide host compounds (e.g., CD) and metalloenzyme-like catalysts (e.g., Fe-TAML), respectively. CD and Fe-TAML will be covalently conjugated by chemical methods, ensuring chemical stability of the catalysts (i.e., Fe-TAML-CD). Fe-TAMLs, well-known CYP P-450- and Peroxidase-like catalysts, can activate hydrogen peroxide to destruct many pollutants. Cyclodextrins are widely recognized host compounds, characterized by a toroidal shape with a hydrophobic inner cavity and hydrophilic external surface, and their cavities can reversibly encapsulate size-matched guest compounds in the molecular level. So the catalysts may be used to construct newly molecular reactors for the removal of aqueous micropollutants, in which organic pollutants in natural waters will be selectively captured by CD cavities and then be catalytically destructed by the Fe-TAML centers. ..In this study, a variety of Fe-TAML-CD-based molecular reactors will be synthesized by selective substitution reactions between Fe-TAMLs and CDs. Detailed research will be carried out to investigate destruction efficiency of the reactors toward the concerned miropollutants, to reveal working principles of the reactors, and to develop mathematical models of destruction efficiency of the reactors related to chemical structures and properties of micropollutants. Finally, units of the molecular reactors will be designed to destruct micropollutants in natural waters. This study is expected to provide new ideas for the development of micropollution control technologies.