手性药物联用色谱重叠峰的定性定量解析方法  

Qualitative and quantitative resolution of hyphenated overlapping chromato-graphic peaks of chiral drugs

作　　者：蒋淑敏[1] 戴冬梅[2] 胡育筑[1] 

机构地区：[1]中国药科大学分析化学教研室,江苏南京210009 [2]青岛科技大学化学与分子工程学院,山东青岛2660042

出　　处：《计算机与应用化学》2006年第12期1291-1295,共5页Computers and Applied Chemistry

摘　　要：将新近发展的非负矩阵因子分解法(NMF)与最小二乘相结合,提出一套对手性药物重叠峰的HPLC-DAD二维数据作化学波谱分辨和定量分析的方法。因无选择性检测波长,手性药物的重叠组分无法分别检测。本文首先应用NMF实现重叠峰的光谱色谱分辨,在此基础上,结合最小二乘拟合,实现了对重叠组分的同时定量。对实测体系手性药物盐酸舍曲林及顺式对映体重叠峰的分析．证明该解析方法与传统的垂直分割法相比,可获得更令人满意的结果,回收率在95．5-104．5％,符合仪器分析的要求。该方法在手性药物未完全分离的情况下,可获知在混合体系中手性药物及对映体量的多少,对手性药物进一步分离纯化有指导作用。表明化学计量学方法与现代分析手段有机结合,为手性药物等复杂体系的分析提供新途径。Based on Non-negative matrix factorization （ NMF）, combining with Least Squares （ LS）, a new procedure for the resolution of chemical spectra and quantitative analysis of two dimensional HPLC-DAD data of overlapping peaks of chiral drugs is proposed in this paper. At first, NMF was performed for resolving overlapping peaks to distinguish the spectra and ehromatograms. Then,with the resolved chromatograms of each components and LS, the quantitative analysis of overlapping peaks was carried out. The method has been successfully applied for the analysis of overlapping peaks of chiral drugs Sertraline hydrochloride and its enantiomer, and found that in comparing with the perpendicular drop method, the accuracy of quantitation of overlapping peaks with the proposed method is much higher. The measured recovery of each component was in 95. 5 - 104. 5% ,meeting request of instrument analysis. The proposed procedure gives the quantitative information for enantiomers on the condition of incomplete separation, which offer the guidance to purifying, and shows that the combination of chemometric method and modern analytical instruments will provide a new way for the analysis of complex systems such as chiral drugs.

关 键 词：非负矩阵因子分解 手性药物 重叠峰解析 二维联用色谱数据 化学计量学 

分 类 号：R917[医药卫生—药物分析学] O657.3[医药卫生—药学]