基于红外三级鉴定与聚类分析法的党参快速鉴别研究（英文）

Rapid Discrimination of Two Kinds of Codonopsis pilosula Using Three-Step Infrared Macro-Fingerprinting Combined with Clustering Analysis

红外光谱因具有快速、无损的优点,特别适合于不同中药的鉴别研究。基于红外光谱和聚类分析法对两类党参(共49个样本)进行鉴别。结果表明:在一维红外光谱中,两者红外光谱图非常相似,仅在1 738和935cm-1处有细微的差异,说明两者化学组分基本一致。在二阶导数红外光谱中,显示了更多的红外指纹特征,特别是1 747,1 515,1 468,1 368,1 264,1 163,1 147,1 108和936cm-1等峰的指纹特征更加明显。进一步采用高分辨率的二维相关红外光谱对两类党参(纹党参和白条党参)进行鉴别,在1 510~1 170cm-1范围内,纹党参的自动峰和交叉峰形成明显的3×3矩阵,在1 459,1 298和1209cm-1处有三个强自动峰,其中1 209cm-1的自动峰强度最大;而白条党参仅在1 450cm-1处有1个强自动峰,其余1 340,1 260,1209cm-1等3个自动峰都极弱。此外,还采用K-means聚类分析技术对两类党参共49个样本进行快速分类研究,结果令人满意。因此,红外三级鉴定法结合K-means聚类分析技术在相似药物的鉴别中能起到重要的作用,且有利于确保药物临床治疗安全有效。

Middle-infrared（MIR）spectroscopy is a well-known,rapid and non-destructive technique suitable for analyses of many different herbal medicines.In this work,MIR combined with clustering analysis was used to develop a novel method for the analysis of two kinds of Codonopsis pilosula.Altogether 49 samples were collected and analyzed.Their entire FT-IR spectra in the range of 4 000-400cm^-1 were generally similar except for small differences around 1 738 and 935cm^-1,indicating that they had similar chemical components.In the second derivative spectra（SD-IR）,more distinct fingerprint features were revealed,especially peaks at1 747,1 515,1 468,1 368,1 264,1 163,1 147,1 108 and 936cm^-1.Furthermore,the 2D-IR spectra provided obvious differences of ＂Wen Dangshen＂（WDS）and ＂Bai Tiao Dangshen＂（BTDS）.In the range of1 510-1 170cm^-1,WDS had a strong 3×3peak cluster,including three auto-peaks at 1 459,1 298and1 209cm^-1,and the strongest auto-peak located in 1 209cm^-1.Whereas BTDS had only one very strong autopeak at 1 450cm^-1 and three weak auto-peaks at 1 340,1 260 and 1 209cm^-1.Moreover,the two species（49samples）has been objectively classified with K-means pattern recognition technique.In conclusion,the threestep infrared macro-fingerprint identification method combined with K-means pattern recognition technique is simple,rapid and non-destructive,which plays an important role in discriminating similar natural products to ensure safe and effective clinical treatments.