天然产物研究与开发 ›› 2020, Vol. 32 ›› Issue (5): 805-812.doi: 10.16333/j.1001-6880.2020.5.012

• 研究简报 • 上一篇    下一篇

藏药五脉绿绒蒿不同部位红外光谱判别分析

李朵1,2,李佩佩1,2,栾真杰1,2,孟晓萍1,孙菁1*   

  1. 1中国科学院西北高原生物研究所 青海省青藏高原特色生物资源研究重点实验室,西宁 810008;2中国科学院大学,北京 100049
  • 出版日期:2020-05-28 发布日期:2020-06-16
  • 基金资助:
    国家自然科学基金青年基金(81403051);青海省自然科学基金面上项目(2019-ZJ-904);青海省科研基础条件创新平台专项(2020-ZJ-T05);西宁市重点研发与转化计划(2018-Y-59)

Discriminant analysis by MIR spectroscopy on different parts of Tibetan medicine Meconopsis quintuplinervia Regel

LI Duo1,2,LI Pei-pei1,2,LUAN Zhen-jie1,2,MENG Xiao-ping1,SUN Jing1*   

  1. 1Qinghai Key Laboratory of Qinghai-Tibet Plateau Biological Resource,Northwest Institute of Plateau Biology,Chinese Academy of Sciences,Xining 810008,China;2University of Chinese Academy of Sciences,Beijing 100049,China

  • Online:2020-05-28 Published:2020-06-16

摘要:

本文以粉末状五脉绿绒蒿花、叶及全草为研究对象,采集其中红外谱图,结合化学计量学方法建立部位判别模型。分析各部位中红外吸收光谱可知,宏观上难以区分不同部位中红外谱图差异;经统计学分析,不同部位各吸收峰处吸光度值之间差异极显著,可据此建立部位判别模型。以识别率和预测率为指标优化建模条件,建模条件为Distance Match+SNV+二阶导数谱图(D2),建模波段为3 031~2 810 cm-1和1 800~1 450 cm-1,所建模型识别率9905%、预测率96.19%,外部测试集识别率达96.67%;模型ER值均小于0.02,TPR、TNR和F1值在均0.97~1.00之间。模型判别效果良好,可实现五脉绿绒蒿不同部位的快速有效识别。

关键词: 藏药, 五脉绿绒蒿, 中红外光谱, 部位判别模型

Abstract:

Meconopsis quintuplinervia Regel,a traditional Tibetan medicine,is usually used in the part of flower powder as medicine.It has been reported that this medicinal species can be used to treat pneumonia,hepatitis,etc.while different parts of its powder presented different therapeutic effect.Therefore,in this study,the different parts of powdered flower,leaf and whole grass in this medicine were considered as the research objects so as to solve the problem of discrimination of different medicinal part.First,mid-infrared spectra of different parts in M. quintuplinervia were collected,and spectral features and one-way ANOVA of absorbance values were also analyzed among different parts.It was found that it was difficult to discriminate parts in visual although the MIR spectra features varied in each part.Then,a statistical analysis revealed that the difference of absorbance values among different peaks was very significant.The results indicated that the establishment of a part discriminant model was available. Finally,orthogonal test and range analysis were also processed to optimize the modeling conditions with recognition rate and prediction rate as indicators.The results showed that the optimized modeling method was Distance Match+SNV+second derivative spectrum (D2),and the modeling wavenumber were set in two different spectral ranges 3 031-2 810 cm-1 and 1 800-1 450 cm-1,respectively.The recognition rate of model was 99.05%,and the prediction rate was 96.19%.Then the recognition rate of test set of 96.67% was obtained and performed a well model.Meanwhile,additional recognition performance was evaluated in order to judge the effect of the model.The results showed a lower ER(error rate) values than 0.02.and the value of TPR(true positive rate),TNR(true negative rate) and F1 were between 0.97 and 1.00.Therefore,it was revealed that the established model in our study can rapidly and effectively identify the different parts of M. quintuplinervia.

Key words: Tibetan medicine, Meconopsis quintuplinervia , Regel., mid-infrared spectroscopy, part discriminant model

中图分类号:  R282.5