天然产物研究与开发 ›› 2016, Vol. 28 ›› Issue (11): 1712-1717.doi: 10.16333/j.1001-6880.2016.11.005

• 研究论文 • 上一篇    下一篇

基于FTIR的黄芪药材产地鉴别及预测研究

李芳1,李钦2,顾志荣3,吴国泰1,胡继宏1*   

  1. 1甘肃中医药大学;2甘肃省中医学校;3甘肃省人民医院,兰州 730000
  • 出版日期:2016-11-30 发布日期:2017-03-30

Origin Identification and Prediction of Astragali Radix Based on Fourier Transform Infrared Spectroscopy

LI Fang1,LI Qin2,GU Zhi-rong3,WU Guo-tai1,HU Ji-hong1*   

  1. 1 Gansu University of Traditional Chinese Medicine,Lanzhou 730000,China;2Traditional Chinese Medicine School of Gansu Province,Lanzhou 730000,China;3Gansu Provincial Hospital,Lanzhou 730000,China
  • Online:2016-11-30 Published:2017-03-30

摘要: 采集12个主产县90批黄芪药材的FTIR指纹图谱,分析各产地药材的光谱特征,采用正交偏最小二乘判别分析(OPLS-DA)及反向传播人工神经网络(BP-ANN)建立其产地的快速鉴别及预测模型。结果表明,不同产地黄芪药材FTIR指纹图谱及平均光谱均具有一定差异;所建OPLS-DA模型能够对不同产地黄芪药材进行较为明确的分类鉴别;不同产地黄芪药材的FTIR光谱差异主要分布在3400~2920、1650~1420、1370~1050、930~770 cm-1及590~520 cm-1波数范围;所建BP-ANN模型对测试集黄芪药材产地的预测准确率大于83%。因此,基于FTIR指纹图谱的OPLS-DA模型及BP-ANN模型能够用于黄芪药材的产地鉴别及预测。

关键词: 黄芪, 傅里叶变换红外光谱, 指纹图谱, 正交偏最小二乘-判别分析, 反向传播-人工神经网络

Abstract: In this study,collecting the fingerprints of 90 batches of Astragali Radix from 12 counties,investigating the spectral characteristics of Astragali Radix from different origins,and establishing model of OPLS-DA (orthogonal partial least squares-discriminant analysis) and BP-ANN (back-propagation neural network) to realize the rapid identification and prediction of origin.The results showed that the FTIR fingerprints and its average spectrums of Astragali Radix from different origins showed some differences;the established OPLS-DA model can be used to accurately classify Astragali Radix from different origins;the differences of FTIR fingerprints of Astragali Radix from different origins were mainly existing in the wave number ranges of 3400-2920,1650-1420,1370-1050,930-770 cm-1,and 590-520 cm-1;the prediction accuracy of testing set was higher than 83% based on BP-ANN model.Hence the established OPLS-DA and BP-ANN model based on FTIR fingerprints can be used to identify and predict the origin of Astragali Radix.

Key words: Astragali Radix, fourier transform infrared spectroscopy, fingerprint, orthogonal partial least squares-discriminant analysis, back-propagation neural network

中图分类号: 

R282.2