中国现代中药2025，Vol.27Issue(5)：831-841,中插6-中插7,13.DOI:10.13313/j.issn.1673-4890.20240925002
基于GC-MS和FT-NIR结合化学计量学的干姜产地鉴别及挥发性成分含量快速预测
Identification of Geographical Origin and Rapid Prediction of Volatile Component of Zingiberis Rhizoma via GC-MS and FT-NIR with Chemometrics
摘要
Abstract
Objective:To compare the volatile components and their content,as well as odor of Zingiberis Rhizoma(ZR)from different regions and develop a model for quantitatively predicting the key components.Methods:Headspace-gas chromatography-mass spectrometry(HS-GC-MS)was used to qualitatively and quantitatively analyze volatile components of ZR,and the relative odor activity value(ROAV)was used to investigate the key odor compounds.The Fourier transform-near infrared spectroscopy(FT-NIR)technique and partial least squares regression(PLSR)were employed to establish a quantitative model for the key volatile components in ZR.Results:A total of 33 volatile components were identified,of which sesquiterpenes accounted for 52.69％and monoterpenes for 37.21％.The volatile components with the high content were zingiberene,β-phellandrene,and camphene.Chemometric analysis showed that the geographical origins of ZR could be identified based on the volatile components.A total of 10 differential compounds affecting the identification of geographical origins were screened by variable importance projection(VIP),and the top three were 4-terpineol,(+)-cyclosativene,and(-)-α-copaene.ROAV analysis showed that α-pinene,linalool,β-myrcene,2-heptanol,and borneol exhibited a high contribution to the aroma of ZR from different regions.FT-NIR results showed that four geographical origins of ZR could be identified accurately via optimized NIR.For the optimal PLSR models established for zingiberene,β-phellandrene,and camphene,the coefficients of determination for prediction were 0.932,0.902,and 0.887,respectively,and the values of residual predictive deviation were all greater than 2.0,indicating that the predicted values and the measured values of the PLSR models demonstrated a good linear relation.This suggested a good prediction ability of the models.Conclusion:The established comprehensive evaluation method for volatile components via combined multiple analysis techniques provides a reference for rapid evaluation of quality and identification of geographical origins of ZR.关键词
干姜/气相色谱-质谱法/傅里叶变换-近红外光谱/挥发性成分/气味解析/化学计量学Key words
Zingiberis Rhizoma/gas chromatography-mass spectrometry/Fourier transform-near infrared spectroscopy/volatile component/odor analysis/chemometrics分类
中医学引用本文复制引用
余代鑫,尹梦廷,郭盛,李洁,徐柯,严辉,尚尔鑫,段金廒..基于GC-MS和FT-NIR结合化学计量学的干姜产地鉴别及挥发性成分含量快速预测[J].中国现代中药,2025,27(5):831-841,中插6-中插7,13.基金项目
国家重点研发计划项目(2020YFC1712700) （2020YFC1712700）
国家中医药管理局中医药创新团队及人才支持计划项目(ZYYCXTD-D-202005) （ZYYCXTD-D-202005）
财政部和农业农村部:国家现代农业产业技术体系资助项目 （）
