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投稿时间:2024-09-09
投稿时间:2024-09-09
中文摘要: 基于傅里叶变换红外光谱与二维相关红外技术,结合不同的化学计量方法,对不同产地泽泻进行快速鉴别。采集13 个产地共54 批泽泻样品的红外光谱数据,简单预处理后,建立平均红外光谱、二阶导数红外图谱和二维相关红外光谱,比较各类光谱结果之间的相似性和差异性;并结合主成分分析及聚类分析等化学计量法,分析不同产地泽泻之间品质差异,提取特征波段。结果显示,不同产地泽泻差异性主要分辨波段为2 250~1 900 cm-1 和3 077~2 841 cm-1。波数对应原萜烷型四环三萜化合物的甲基及亚甲基中碳氢单键(C—H)的伸缩振动产生的吸收峰,这些波段谱图的峰强、峰形、峰数有明显差异;平均光谱的相关系数分布在0.166~0.999,主成分分析选取2 个主成分,其累计贡献率为98.948%;聚类分析结果显示可以将13 个产地划分为2 个表征群,第一表征群为福建、广西、江西产地泽泻,第二表征群为四川产地泽泻。综上,红外光谱可以快速鉴别泽泻的产地,对其道地性鉴定及品质的快速评价具有重要意义。
Abstract:Fourier transform infrared spectroscopy(FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR) were combined with various chemometric methods for the rapid identification of Alismatis Rhizoma from different origins. Infrared spectra were collected from 54 batches of Alismatis Rhizoma samples from 13 origins. After simple preprocessing,the average infrared spectra,second-derivative spectra,and 2D correlation infrared spectra were established,and the similarities and differences of the spectra were compared. Chemometric methods such as principal component analysis (PCA) and cluster analysis were performed to analyze the quality differences among Alismatis Rhizoma samples from different origins,and the characteristic wavebands were extracted. The results showed that the main distinguishing wavebands for Alismatis Rhizoma from different origins were 2 250-1 900 cm-1 and 3 077-2 841 cm-1. The wavenumbers corresponded to absorption peaks generated by the stretching vibrations of C-H bonds in methyl and methylene groups of proto-oleananetype triterpenes. The peak intensity,shape,and number of these bands showed significant differences. The correlation coefficients of the average spectra ranged from 0.166 to 0.999. PCA selected two principal components,with a cumulative contribution rate of 98.948%. Cluster analysis results indicated that the 13 origins could be classified into two representative groups. The first group consisted of Alismatis Rhizoma samples from Fujian,Guangxi,and Jiangxi,and the second group was composed of samples from Sichuan. In conclusion,infrared spectroscopy could rapidly identify the origins of Alismatis Rhizoma,which was of great significance for the geographic origin identification and quick evaluation of quality.
keywords: Fourier-transform infrared spectroscopy Alismatis Rhizoma two-dimensional correlation infrared spectroscopy principal component analysis cluster analysis
文章编号:202606002 中图分类号: 文献标志码:
基金项目:国家自然科学基金项目(82104329);河南省科技攻关基金项目(222102310182、242102310549);河南省重点研发专项(231111312700、251111310500);中国博士后科学基金特别资助项目(2014T170252)
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