分子拓印技术分析磺胺剂之理论计算.pdfVIP

高雄師大學報 2007, 23, 1-18 分子拓印技術分析磺胺劑之 理論計算 1 2 3 俞仁渭 林昫君 楊慶成 摘 要 本研究選用 sulfamerazine(SMZ) 作為模板分子，methacrylic acid 、 4-vinylpyridine 作為官能基單體，ethylene glycol dimethacrylate 作為交聯劑， 模擬分子拓印聚合物(molecularly imprinted polymer, MIP) ，再將此聚合物和十 七種磺胺劑、以及和數種非磺胺劑分別作吸附能計算分析。 計算結果發現磺胺劑之吸附能大於非磺胺劑之吸附能，說明了 SMZ-MIP 可以很有效地分離出磺胺劑。 關鍵詞：分子拓印、磺胺劑、理論計算 1 國立高雄師範大學化學系副教授 2 桃園縣大崗國中教師 3 國立高雄師範大學化學系教授 2 高雄師大學報 第二十三期 Theoretical Calculations of Effect of Molecular Imprinting Technique on Sulfonamides * ** *** JenWei Yu , Hsu-Chun Lin , Thomas C. Yang Abstract Molecular mechanics calculations were carried out on the molecularly imprinted polymer (MIP) which was constructed from using methacrylic acid and 4-vinylpyridine as co-functional monomers, ethylene glycol dimethacrylate as crosslinking agent, and sulfamerazine(SMZ) as molecular template. Binding energies of 17 sulfonamides with this SMZ-MIP were obtained and binding energies of several other non-sulfonamides were also evaluated for comparison. The results show that sulfonamides bind more strongly than other non-sulfonamides, indicating that SMZ-MIP can act as a medium for extracting sulfonamides. Key Words : molecular imprinting, sulfoamide, theorectial study * Associate Professor, Department of Chemistry, National Kaohsiung Normal University. ** Teacher, Da Guang Junior High School, Tao