Quantitative Analysis of Index Components in Glycyrrhizae Radix et Khizoma by Near Infrared Spectroscopy Based on R Software

Jing-jiao YONG; Xia WANG; Si-jia SHI; Kui-shen WEN; Yue TONG; Xia ZHANG; Jian-jun ZHAO; Jian-huan WANG; Xiao-juan GAO; Han-qing WANG

doi:10.13422/j.cnki.syfjx.20190916

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Quantitative Analysis of Index Components in Glycyrrhizae Radix et Khizoma by Near Infrared Spectroscopy Based on R Software

Resource and Quality Evaluation | 更新时间：2021-02-09

- Quantitative Analysis of Index Components in Glycyrrhizae Radix et Khizoma by Near Infrared Spectroscopy Based on R Software
- Chinese Journal of Experimental Traditional Medical Formulae Vol. 25, Issue 9, Pages: 176-181(2019)
- 作者机构：
  
  1.宁夏医科大学　药学院，银川　 750004
  2.银川市第二人民医院，银川　 750004
  3.北京市东城区食品药品安全监控中心，北京　 100027
  4.宁夏回药现代化工程技术研究中心，银川　 750004
  5.宁夏医科大学　回医药现代化省部共建教育部重点实验室，银川　 750004
- 作者简介：
- 基金信息：
- DOI：10.13422/j.cnki.syfjx.20190916
  CLC： R284.1; R289; R22; R2-031
- Received：12 November 2018，
  
  Published Online：18 January 2019，
  
  Published：05 May 2019
- 稿件说明：
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Jing-jiao YONG, Xia WANG, Si-jia SHI, et al. Quantitative Analysis of Index Components in Glycyrrhizae Radix et Khizoma by Near Infrared Spectroscopy Based on R Software[J]. Chinese journal of experimental traditional medical formulae, 2019, 25(9): 176-181.
DOI：

Jing-jiao YONG, Xia WANG, Si-jia SHI, et al. Quantitative Analysis of Index Components in Glycyrrhizae Radix et Khizoma by Near Infrared Spectroscopy Based on R Software[J]. Chinese journal of experimental traditional medical formulae, 2019, 25(9): 176-181. DOI： 10.13422/j.cnki.syfjx.20190916.

摘要

目的：

建立较优的甘草质控成分(水分、总灰分、甘草苷、甘草酸)的近红外定量模型，实现快速检测。

方法：

基于2015年版《中国药典》方法测定97批甘草中水分、总灰分、甘草苷及甘草酸的含量。采用近红外光谱仪扫描其近红外光谱。采用R语言筛选最佳光谱预处理方法，建立近红外定量模型。

结果：

水分和甘草苷近红外定量模型的最佳预处理方法为一阶导数，其中水分测试集和验证集的相关系数分别为0.930 0和0.929 9，均方根误差分别为0.243 2和0.203 8，甘草苷测试集和验证集的相关系数分别为0.930 3和0.907 6，均方根误差分别为0.093 9和0.128 9；总灰分近红外定量模型的最佳预处理方法为MSC，测试集和验证集的相关系数分别为0.926 5和0.917 7，预测均方根误差分别为0.109 6和0.103 7；甘草酸近红外定量模型的最佳预处理方法为SNV，测试集和验证集的相关系数分别为0.918 1和0.915 7，预测均方根误差分别为0.274 8和0.236 0。

结论：

该研究建立了较优的甘草质控成分的近红外定量模型，其模型的准确度均较高，为实现快速检测奠定了基础。

Abstract

Objective:

To establish a better near infrared quantitative model for quality control of Glycyrrhizae Radix et Rhizoma of components (moisture

total ash

liquiritin and glycyrrhizic acid) in liquorice

in order to realize rapid detection.

Method:

The contents of moisture

total ash

liquiritin and glycyrrhizic acid were determined in 97 samples based on the methods set forth in

Chinese Pharmacopoeia

. Meanwhile

the near infrared spectrum was scanned using near infrared spectroscope. R software was used to screen out the spectral pretreatment and build the quantitative models.

Result:

The optimum spectral pretreatment method for establishing the near infrared quantitative model of moisture and liquiritin was the first order derivative. For moisture

the correlation coefficients of test and validation were 0.930 0 and 0.929 9

and the root mean square errors were 0.243 2 and 0.203 8

respectively. For liquiritin

the correlation coefficients of test and validation were 0.930 3 and 0.907 6

and the root mean square errors were 0.093 9 and 0.128 9

respectively. The optimum spectral pretreatment method for establishing the near infrared quantitative model of total ash was MSC. The correlation coefficients of test and validation were 0.926 5 and 0.917 7

and the root mean square errors were 0.109 6 and 0.103 7

respectively. The optimum spectral pretreatment method for establishing the near infrared quantitative model of glycyrrhizic acid was SNV. The correlation coefficients of test and validation were 0.918 1 and 0.915 7

and the root mean square errors were 0.274 8 and 0.236 0

respectively.

Conclusion:

In this study

a better near infrared quantitative models for quality control of components of Glycyrrhizae Radix et Rhizoma were established

with a high accuracy

which laid a foundation for rapid detection of the components in Glycyrrhizae Radix et Rhizoma.

关键词

Keywords

references

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ZHU Y , CHEN X , WANG S , et al . Simultaneous measurement of contents of liquirtin and glycyrrhizic acid in liquorice based on near infrared spectroscopy [J]. Spectrochim Acta A , 2018 , 196 : 209 - 214 .

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