基于红外光谱与聚类分析法的忍冬属中药鉴别研究

doi:10.3964/j.issn.1000-0593(2023)11-3518-06

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摘要：忍冬属中药材种类多、产量大，外观性状特征相似，区分较为困难。采用傅里叶变换红外光谱对来源于忍冬属的忍冬(金银花)、红腺忍冬、灰毡毛忍冬、黄褐毛忍冬4种中药材进行测定，红外光谱扫描范围为4 000～400 cm^-1，得到图谱后进行图谱解析；采用谱带较密集的指纹区（1 800～400 cm^-1）计算红外光谱图相似系数和二阶导数谱，同时结合SMICA(簇类独立软模法)聚类分析法对红外指纹图谱进行分类和异同点比较。结果表明，4种忍冬属中药材红外光谱整体峰形相似，谱峰位置和峰高都比较接近，在1 629～1 635、1 376～1 384、1 265～1 282、1 152～1 158、1 050～1 051、814～816、611～614和534～537 cm^-1附近均有吸收，但忍冬中1 731 cm^-1CO伸缩振动吸收峰最明显，仅灰毡毛忍冬与忍冬显示出1 105和1 103 cm^-1C—O的伸缩振动吸收峰。红腺忍冬与灰毡毛忍冬1 317 cm^-1 CH的弯曲振动吸收峰最明显，黄褐毛忍冬1 075 cm^-1处糖醇类物质的C—OH伸缩振动特征峰最明显。相似系数结果表明4种中药材间存在一定差异，其中红腺忍冬与黄褐毛忍冬差异最大，相似系数为0.94。二阶导数光谱中，4种中药材在1 700～1 300和971～780 cm^-1波段差异明显。采用Assure ID软件以药材吸收波数为变量进行聚类分析，红腺忍冬与黄褐毛忍冬的类间距最大，为6.86，进一步表明红腺忍冬与黄褐毛忍冬差异最大。聚类模型中，4种中药材的识别率和拒绝率最高值为100%，最低值达99%；类模型图中，不同基原药材两两分开，表明红外光谱结合SIMCA聚类分析能够鉴别忍冬属4种中药材；取已知基原的样品对聚类分析模型进行验证，均被正确识别。因此，红外光谱与聚类分析法相结合可以快速、无损鉴别忍冬属4种中药材，为忍冬属中药的基原鉴别提供了一种科学有效的方法。

关键词：红外光谱法；聚类分析法；忍冬属；中药

Abstract：Lonicera Linn has a large variety of herbs, is produced in large quantities and has similar trait characteristics, making it difficult to distinguish between them. In this study, Fourier transforms infrared spectroscopy was used to determine four Chinese herbal medicines from Lonicera Linn, namely, Lonicera japonica (Fols Lonicerae), Lonicera hypoglauca, Lonicera macranthoides and Lonicera fulvotomentosa, and the infrared spectra were scanned in the range of 4 000~400 cm^-1 and the second-order derivatives in the range of 1 800~400 cm^-1. After obtaining these fingerprints, the correlation coefficients were calculated, and second order derivative spectrum was by using the fingerprint spectrum (1 800~400 cm^-1) with dense spectral bands, while combined with SMICA cluster analysis to classify the infrared fingerprint profiles of the herbs and compare the similarities and differences. The results showed that the overall peak shapes of the infrared spectra of the four species of Lonicera Linn were similar. The spectral peak positions and peak heights were relatively close, with absorptions near 1 629~1 635, 1 376~1 384, 1 265~1 282, 1 152~1 158, 1 050~1 051, 814~816, 611~614, 534~537 cm^-1, but the 1 731 cm^-1CO stretching vibration absorption peak is most pronounced in Lonicera japonica, only Lonicera macranthoides and Lonicera japonica showed a telescopic vibrational absorption peak of 1 105 and 1 103 cm^-1 C—O, the bending vibration absorption peak is most pronounced in Lonicera hypoglauca and Lonicera macranthoides 1 317 cm^-1 CH, the characteristic peak of the C—OH stretching vibration of the sugar alcohols is most evident at 1 075 cm^-1 in Lonicera fulvotomentosa. The correlation coefficient results showed some differences among the four Chinese herbal medicines in the Lonicera Linn, with the largest difference between Lonicera hypoglauca and Lonicera fulvotomentosa, with a correlation coefficient of 0.94. The four Lonicera Linn Chinese herbal medicines differed significantly in the bands 1 700~1 300 and 971~780 cm^-1 in the second-order derivative spectra. Cluster analysis using Assure ID software with Chinese herbal medicines absorption wave number as the variable showed that the class spacing between Lonicera hypoglauca and Lonicera fulvotomentosa was the largest at 6.86, further indicating that the difference between Lonicera hypoglauca and Lonicera fulvotomentosa was the largest. The identification and rejection rates of the four Lonicera Linn herbs in the clustering model were the highest point of 100% and the lowest point of 99%. The class model plots, in which the different proto species herbs are separated two by two, indicate that the infrared spectra combined with SIMCA cluster analysis can identify the four herbal species of the Lonicera Linn. The clustering analysis model was validated by taking known origins samples, and the recognition and rejection rates were also above 99%. Therefore, the combination of infrared spectroscopy and cluster analysis can identify four herbs of Lonicera Linn in a rapid and nondestructive manner, providing a scientific and effective method for the genetic identification of Lonicera Linn.

Key words：Infrared spectroscopy;Cluster analysis;Lonicera japonicar;Traditional chinese medicine

收稿日期: 2022-05-07 修订日期: 2022-10-21

中图分类号:

R282

基金资助: 国家重点研发计划项目（2017YFF0211005）和国家自然科学基金面上项目（81873095）资助

通讯作者: 敖冬梅 E-mail: admei302@163.com

作者简介: 徐荣，女，1981年生，中国医学科学院药用植物研究所研究员 e-mail: rxu@implad.ac.cn

引用本文:

徐荣，敖冬梅，李曼钿，刘赛，郭昆，胡颖，杨春梅，徐常青. 基于红外光谱与聚类分析法的忍冬属中药鉴别研究[J]. 光谱学与光谱分析, 2023, 43(11): 3518-3523.
XU Rong, AO Dong-mei, LI Man-tian, LIU Sai, GUO Kun, HU Ying, YANG Chun-mei, XU Chang-qing. Study on Traditional Chinese Medicine of Lonicera L. Based on Infrared Spectroscopy and Cluster Analysis. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3518-3523.

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https://www.gpxygpfx.com/CN/10.3964/j.issn.1000-0593(2023)11-3518-06 或 https://www.gpxygpfx.com/CN/Y2023/V43/I11/3518

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