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综合利用色谱多维信息建立中药指纹图谱

Synthetic fingerprint of traditional Chinese medicines with multiple-dimensional chromatogram

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【作者】 冯启余曹玉华龚立冬

【Author】 Feng Qiyu,Cao Yuhua and Gong Lidong (School of Chemical and Material Engineering,Jiangnan University,Wuxi,214122,Jiangsu,China)

【机构】 江南大学化学与材料工程学院

【摘要】 采用高效液相色谱二极管阵列和蒸发光散射串联检测法,测定12个肉苁蓉样品,提取2个特征波长(254 nm、326nm)的色谱图,结合蒸发光散射检测色谱图,按可匹配峰取均值、不可匹配峰直接记录的原则,建立肉苁蓉的综合指纹图谱,并检验常见的模糊数学法对相似度计算的适用性。结果表明,使用VB语言自编的"指纹图谱分析系统"实现了多维检测色谱的综合指纹分析,其共有峰数是单维检测指纹图谱的双倍,有利于全面反映样本信息;夹角余弦法、相关系数法、算术平均法、几何平均法适用于指纹图谱相似度分析,其中前两种方法主要反映整体特征,更符合综合图谱分析,后两种方法能突出局部组分浓度的差异,应该结合使用。

【Abstract】 Twelve Cistanche samples have been determined by HPLC-DAD-ELSD,and three chromatograms of each sample were obtained with ELSD and DAD at two detection wavelengths of 254 nm and 326 nm.The three chromatograms were synthesized by timematching, and matching peaks and sole peaks in respective chromatogram constituted the synthetic chromatogram.Compared with the one-dimensional fingerprint of Cistanche salsa,synthetic fingerprint had double number of common peaks,which was benefit for display the profile of the traditional Chinese medicines.Seven fuzzy mathematics methods were evaluated to calculate similarity of the fingerprint. It showed that the fingerprint analysis system utilizing VB programming language could fulfill synthetic chromatographic fingerprint analysis.Included angle cosine,correlation coefficient,arithmetical mean minimum,geometric mean minimum were adapt to fingerprint analysis.The former two methods are based on holistic swatch information and the latter two ones reflect change of component concentration.The former two ones are the better methods for synthetic chromatographic fingerprint analysis.

【基金】 国家自然科学基金资助项目(20775028)
  • 【文献出处】 计算机与应用化学 ,Computers and Applied Chemistry , 编辑部邮箱 ,2009年05期
  • 【分类号】R284
  • 【被引频次】2
  • 【下载频次】353
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