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祖师麻甲素的提取、高效液相色谱测定及量子化学研究
A study of extraction,determination by HPLC and quantum chemistry calculation of daphnetin
【摘要】 建立祖师麻的有效成分——祖师麻甲素提取和HPLC检测方法,并对其进行了量子化学研究。HPLC检测方法选用VP ODS C18(250 mm×4.6 mm,5μm)色谱柱,流动相为甲醇-0.5%磷酸溶液(45:55),检测波长327 nm,量子化学计算在B3LYP/6-311G(2DF,PD)水平得到祖师麻甲素的几何构型、振动频率及能量,认识祖师麻甲素的分子内氢键结构。HPLC检测方法精密度、稳定性、重现性好,提取祖师麻甲素纯度为96.6%,量子化学计算结果与已知实验数据一致。
【Abstract】 The extracing process for daphnetin from zushima is studied and an HPLC method is developed for the detection of daphnetin in zushima.The analysis was carried out on a VP ODS C18(250 mm×4.6 mm,5μm) column.The mobile phase was methanol -0.5%phosphoric acid(45:55) and detection wavelength was 327 nm.Quantum chemistry calculation was performed at B3LYP/6- 311G(2DF,PD)level.The geometry structures,vibrational frequency and energies of daphnetin were discussed,some property shows that there is intramolecular hydrogen-bonding in this compound.
【Key words】 daphnetin; HPLC; quantum chemistry calculation; intramolecular hydrogen-bonding;
- 【文献出处】 计算机与应用化学 ,Computers and Applied Chemistry , 编辑部邮箱 ,2009年10期
- 【分类号】R284.1
- 【下载频次】165