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Design, preparation and adsorption performances of norfloxacin molecularly imprinted polymers

吸附 分子印迹聚合物 选择性 氢键 分子印迹 甲基丙烯酸 选择性吸附 聚合物 化学 单体 分子 组合化学 有机化学 催化作用
作者
Dadong Liang,Xiaoshuang Wang,Jin Liu,Junbo Liu,Shanshan Tang,Xu Bao,Ruifa Jin
出处
期刊:Journal of Molecular Graphics & Modelling [Elsevier BV]
卷期号:114: 108197-108197 被引量:7
标识
DOI:10.1016/j.jmgm.2022.108197
摘要

Here, norfloxacin (NOR) molecularly imprinted polymers (MIPs) exhibiting improved adsorption and selectivity properties were prepared via simulation and experiment. NOR and methacrylic acid (MAA) were employed as the imprinting molecule and functional monomer, respectively. The imprinting ratio, as well as cross-linking agents of the NOR-MIPs, had been optimised via the LC-ωPBE/6-31G(d,p) method. The nature and mechanism of the interaction between MIPs and MAA, as well as the selectivity of the NOR-MAA stable complex (1:1), were also discussed. Based on the simulation results, the effects of the different imprinting ratios and cross-linking agents on the adsorption of NOR-MIPs were also investigated. Concurrently, the affinity, selectivity and stability of NOR-MIPs were analysed via dynamic, static and selective adsorption, as well as thermogravimetry. The calculated and experimental results demonstrated that the stable complexes comprising NOR and MAA were formed via hydrogen bonding. The complex comprising NOR and MAA in an interaction ratio of 1:6 exhibited the highest number of hydrogen bonds and the lowest binding energy. Trihydroxymethylpropyl trimethylacrylate was more appropriate for the synthesis of NOR-MIPs compared with the two other cross-linking agents. NOR-MIPs achieved the excellent selective adsorption of NOR in single and multiple adsorption systems. This design and synthesis strategy availed a new idea for the efficient preparation of s with specific adsorption performance.
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