摘要
为制备高选择性的分子印迹聚合物用于药物残留富集,本研究运用量子化学计算辅助设计磺胺苯甲酰(SB)分子印迹体系,并采用表面印迹法制备印迹聚合物,研究其吸附行为、选择性和再生性。结果显示,结合SB的自然键轨道分析结果确定氢键作用位点,优化其与功能单体复合物构型.确定以1:5(摩尔比)的投料比进行聚合。产品的电镜照片显示分子印迹层已均匀覆盖在硅胶微粒表面,红外光谱图和热重分析印证聚合成功。表面印迹物传质较快,准二级和Elovich动力学模型可拟合其动力学行为,吸附等温曲线更符合Langmuir模型,说明吸附位点相对均匀、特异;印迹因子为1.92,对氟苯尼考和磺胺醋酰的分离因子分别为15.16和0.54,具有吸附选择性;被重复利用5次后,吸附量稳定在87%以上,机械强度良好。通过计算机辅助设计,成功制备性能优良的磺胺苯甲酰表面分子印迹聚合物,为进一步研究分子印迹聚合物的制备与识别机理提供理论和实践参考。
In order to prepare highly selective molecularly imprinted polymers for drug residue enrichment, the sulfabenzamide(SB) molecular imprinted system was computational aided-design by quantum chemical calculation, and then prepared by surface imprinting in this study. According to the results of natural bond orbit analysis, the configurations of SB and functional monomer complexes were optimized, and an input ratio of 1∶5(molar ratio) was determined for polymerization. Electron micrographs of outputs showed that the molecularly imprinted layer covered on the surface of microspheres uniformly, infrared spectrums and thermogravimetric analysis confirmed the synthesis was successful. The mass transfer of surface imprinted polymers was fast, and the pseudo-second-order and Elovich kinetic models could fit the dynamic behavior. The adsorption isotherm curve was more consistent with Langmuir model, indicating that the adsorption sites were relatively uniform and specific. The imprinting factor is 1.92, and the separation factors of SB to florfenicol and sulfacetamide were 15.16 and 0.54, respectively. After being reused for 5 times, the adsorption amount is stable above 87%. Through computer-aided design, SB-SMIPs with excellent performance were successfully synthesized, which provided theoretical and practical reference for further revealing the recognition principle of molecularly imprinted polymer.
作者
王思佳
李圣各
何玄
肖萍萍
原婧
WANG Si-jia;LI Sheng-ge;HE Xuan;XIAO Ping-ping;YUAN Jing(Key Laboratory of Livestock Infectious Diseases in Northeast China,Ministry of Education,Key Laboratory of Zoonosis of Liaoning,College of Aninal Science and Veterinary Medicine,Shenyang Agricultural University,Shenyang 110866,China;Shenyang Phar maceutical University,School of Traditional Chinese Medicine,Key Laboratory of Structure Based Drug Design and.Discovery,Ministry of Education,Shenyang 110016,China)
出处
《高分子通报》
CAS
CSCD
北大核心
2020年第6期50-58,共9页
Polymer Bulletin
基金
国家自然科学基金青年科学基金项目(31602104)
沈阳农业大学引进人才科研启动费项目(880415024)。
关键词
磺胺苯甲酰
分子印迹技术:计算机模拟
表面印迹法
吸附性能
Sulfabenzamide
Molecularly imprinted technology
Computer simulation
Surface imprinting
Adsorption performance
