新型瓜环基聚合物的设计合成及其对抗生素吸附机理研究

项目名称： 新型瓜环基聚合物的设计合成及其对抗生素吸附机理研究

项目编号： No.21477137

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 化学工业

项目作者： 刘云

作者单位： 中国科学院南京土壤研究所

项目金额： 86万元

中文摘要： 瓜环是新一代大环主体化合物，基于其分子结构赋予其特殊的性能，已将其作为一种功能材料应用于众多领域。我们的前期研究结果表明固载化瓜环具备作为优良吸附材料的潜力，尤其对磺胺类抗生素的吸附，但其作用机理尚不明确。此外，瓜环固载化过程中需要对瓜环进行多次衍生化，瓜环衍生化产率低，分离困难，且固载过程复杂。因此，本项目拟以瓜环（或羟基瓜环）为单体，以双氯甲基芳烃化合物为交联剂，通过亲核取代反应合成新型瓜环基聚合物，简化瓜环固载过程；通过控制合成条件调变其聚合物孔道结构和表面化学性质；通过色谱仪器和光谱手段，研究典型四环素类抗生素和磺胺类抗生素在瓜环基聚合物上的吸附-解吸行为，揭示聚合物的孔道结构和表面化学性质与其对抗生素吸附效能间的关联规律；利用量子化学计算，从分子水平上探索瓜环基聚合物与抗生素相互作用过程。本项目的研究结果将为瓜环在环境污染治理中的应用提供理论指导和技术支持。

中文关键词： 瓜环基聚合物；抗生素；吸附机理；吸附-解吸；污水处理

英文摘要： Cucurbit[n]uril (CB[n]) is a recently re-discovered class of macrocyclic host molecule with a fairly rigid hydrophobic cavity of low polarity accessible through two polar portal openings rimmed with carbonyl groups. It can not only function as hosts and include various guests but also act as ligands and coordinate with various chemical compounds. Cucurbit[n]uril is as a new function material which has been intensively explored in various research fields. Our previous results showed that anchored cucurbituril can be used as a potential adsorbent for many pollutants, especially for sulfonamide antibiotics. But the adsorption mechanism is not clear. And during immobilization, there needs covalent modification of CB[n] in a strongly oxidative environment to generate reactive functional groups that could further react with functional groups. The product of cucurbituril derivatives gained difficult. In this project, a new cucurbituril polymer was firstly synthesized via a nucleophilic reaction of cucurbuturil (or perhydroxycucurbuturi) and α, α'-Dichloro-m-xylene (or α, α'-Dichloro-p-xylene). The pore structure and surface properties of polymer will be controlled by condition of polymerization. We propose to study the adsorption to /desorption of tetracycline antibiotics and sulfonamide antibiotics from polymer as a function of solution chemistry with a view to understanding correlation of pore structures and surface properties of polymer and adsorption properties of polymer. The possible structures of reaction and the associated adsorption pathways will be evaluated based on density functional calculation using the Gaussian 03 software package. The results of the proposed project research will eventually provide the fundamental basis and technological support for the development of cucurbituril's application in environmental protection.

英文关键词： Cucurbituril polymer;Antibiotics;Adsorption mechanism;Adsorption-desorption;Wastewater treatment