中国中药杂志2026，Vol.51Issue(13)：3697-3706,10.DOI:10.19540/j.cnki.cjcmm.20260403.301
基于HS-GC-IMS联合化学计量学筛选苍术不同炮制品的关键气味标志物
Screening key odor biomarkers in different processed products of Atractylodis Rhizoma by HS-GC-IMS combined with chemometrics
摘要
Abstract
To explore odor differential biomarkers in different processed products of Atractylodis Rhizoma,this research took three processed products raw,bran-fried,and rice-water processed Atractylodis Rhizoma as research objects.The volatile components were detected by using headspace-gas chromatography-ion mobility spectrometry(HS-GC-IMS),with qualitative identification via NIST 2020 and IMS databases.Odor differences among the processed products of Atractylodis Rhizoma were compared by using fingerprint similarity evaluation and partial least squares discriminant analysis(PLS-DA),while the odor differential biomarkers were screened through analysis of variance,variable importance projection(VIP),relative odor activity value(ROAV),and principal component analysis(PCA).The results show that a total of 83 chromatographic peaks and 47 compounds are identified,with terpenoids,acids,and alcohols as the primary shared volatile components in these three processed products of Atractylodis Rhizoma.After the raw Atractylodis Rhizoma was stir-fried with bran,the relative contents of alcohol components were significantly decreased,while the relative contents of aldehyde,ester,and heterocyclic components were increased.Especially,the contents of Maillard reaction products such as 2-methylbutanal,3-methylbutanal,and furfural were significantly increased,resulting in a burnt aroma.After rice-water processing,the relative contents of terpenoid components were significantly decreased,while those of aldehyde and ester components were significantly increased.Fingerprint spectra reveal variations in the signal peak response concentrations of volatile components across different processed products of Atractylodis Rhizoma.Accordingly,raw,rice-water-processed,and bran-fried Atractylodis Rhizoma could be clearly clustered and distinguished in the two-dimensional scatter plots of PLS-DA and PCA.By taking VIP＞1.0,P＜0.05,fold change(FC)＞1.2 or FC＜0.83,and ROAV＞1 as comprehensive indicators,eight key odor differential biomarkers including methyl salicylate,linalool,butanal,3-methylbutanal,2-methylbutanal,α-pinene,hexanal,and pentanal were identified,providing a chemical basis for revealing the processing mechanism of Atractylodis Rhizoma.关键词
苍术/炮制/顶空-气相色谱-离子迁移谱/关键气味标志物/化学计量学/相对气味活度值Key words
Atractylodis Rhizoma/processing/headspace-gas chromatography-ion mobility spectroscopy/key odor biomarker/che-mometrics/relative odor activity value引用本文复制引用
拱健婷,贾利影,邹慧琴,韩旭阳,袁久懿,王莉,关佳莉,徐媛媛,丛悦,彭慧凝,王佳煜,张林华..基于HS-GC-IMS联合化学计量学筛选苍术不同炮制品的关键气味标志物[J].中国中药杂志,2026,51(13):3697-3706,10.基金项目
国家中医药管理局中药炮制技术传承基地建设项目(2022年) （2022年）
产学合作协同育人项目(20200207301) （20200207301）
