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

作　　者：刘妍[1] 毕慧敏[1] 游富英[1] 

机构地区：[1]邯郸学院化学系,河北邯郸056005

出　　处：《计算机与应用化学》2009年第10期1287-1290,共4页Computers and Applied Chemistry

基　　金：河北省科学技术研究与发展指导计划项目(07276433)

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 C_(18)(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。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, 5 μm） column. The mobile phase was methanol -0. 5% phosphoric acid （45：55） and detection wavelength was 327 nm. Quantum chemistry calculation was performed at B3 LYP/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.

关 键 词：祖师麻甲素 HPLC 量子化学计算 分子内氢键 

分 类 号：O641.12[理学—物理化学] TQ015.9[理学—化学]