| 计算机模拟和光谱分析在丹参酮Ⅱ_A印记聚合物制备中的应用 |
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| 引用本文： | 高艳坤,顾小丽,何宏亮,陈立娜.计算机模拟和光谱分析在丹参酮Ⅱ_A印记聚合物制备中的应用[J].中草药,2015,46(5):665-670. |
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| 作者姓名： | 高艳坤 顾小丽 何宏亮 陈立娜 |
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| 作者单位： | 南京医科大学药学院, 江苏 南京 210029;南京医科大学药学院, 江苏 南京 210029;南京医科大学药学院, 江苏 南京 210029;南京医科大学药学院, 江苏 南京 210029 |
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| 基金项目： | 国家自然科学基金资助项目(30801558,81373895,81173538) |
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| 摘 要： | 目的具有高亲和力和高选择性丹参酮IIA(TSIIA)分子印记聚合物(MIPs)的制备及其机制研究。方法以丹参酮IIA为模板分子,通过对硅胶表面进行接枝共聚,合成了基于硅胶表面修饰的MIPs。通过量子化学的方法对模板分子与功能单体的结合构象进行了计算机模拟,紫外吸收光谱法研究印记机制。结果模板分子与功能单体间理论最佳物质的量比为1∶3,甲基丙烯酸(MAA)比丙烯酰胺(AAM)更适合合成MIPs。结论该MIPs可用于TSIIA的提取分离。
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| 关 键 词： | 丹参酮IIA 分子印记聚合物 光谱分析 量子化学 计算机模拟 紫外吸收光谱法 甲基丙烯酸 |
| 收稿时间： | 2014/11/5 0:00:00 |
Application of computational simulation and spectral analysis in preparation of Tanshinone IIA imprinted polymer |
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| GAO Yan-kun,GU Xiao-li,HE Hong-liang and CHEN Li-na.Application of computational simulation and spectral analysis in preparation of Tanshinone IIA imprinted polymer[J].Chinese Traditional and Herbal Drugs,2015,46(5):665-670. |
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| Authors: | GAO Yan-kun GU Xiao-li HE Hong-liang and CHEN Li-na |
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| Institution: | School of Pharmacy, Nanjing Medical University, Nanjing 210029, China;School of Pharmacy, Nanjing Medical University, Nanjing 210029, China;School of Pharmacy, Nanjing Medical University, Nanjing 210029, China;School of Pharmacy, Nanjing Medical University, Nanjing 210029, China |
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| Abstract: | Objective To prepare Tanshinone IIA (TSIIA) molecularly imprinted polymers (MIPs) with affinity and high selectivity to TSIIA and study its mechanism. Methods Taking TSIIA as the template molecular, synthesizing the MIPs at the surface of silica nanoparticles by grafting copolymerization in the toluene solution. A molecular modeling approach was used to elucidate template- monomer interaction. The interaction between template molecule and functional monomer was studied by UV spectrometry. Results The theoretical molar ratio of template-monomer was 1:3 and methyl acrylic acid (MAA) was a better functional monomer than acrylamide (AAM) for MIPs synthesis. Conclusion The MIPs can be used for the extraction and separation of TSIIA. |
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| Keywords: | tanshinone IIA molecularly imprinted polymers spectral analysis quantum chemistry computational simulation ultraviolet absorption spectrometry methyl acrylic acid |
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