分子拓印技術分析磺胺劑之理論計算

Theoretical Calculations of Effect of Molecular Imprinting Technique on Sulfonamides

俞仁渭(Jen-Wei Yu) ； 林昫君(Hsu-Chun Lin) ； 楊慶成(Thomas C. Yang)

《高雄師大學報：自然科學與科技類》 23期 (2007/12) Pp. 1-18

https://doi.org/10.7060/KNUJST.200712.0001

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。

關鍵字

分子拓印 ； 磺胺劑 ； 理論計算

並列摘要

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.

並列關鍵字

molecular imprinting ； sulfonamide ； theorectial study

參考文獻

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