Application of Gas Chromatography Ion Mobility Spectrometry Technology Combined with Chemometric Methods in Identification of Foeniculi Fructus from Haiyuan Region
10.13422/j.cnki.syfjx.20250716
- VernacularTitle:气相色谱-离子迁移谱技术联合化学计量学方法在海原小茴香鉴别中的应用
- Author:
Xiurong TIAN
1
;
Hao WANG
1
;
Kejing PANG
2
;
Penglong YU
3
;
Xia LIU
3
;
Mengyue SHEN
3
;
Xianglin JIANG
3
;
Yonghua LI
3
;
Zhihong LI
3
;
Hongqiong DING
3
;
Qin YANG
3
;
Xingying LI
3
;
Qian XIONG
1
;
Guochao WAN
4
;
Yuexiang MA
1
;
Zhenping LIU
4
Author Information
1. Shandong University of Traditional Chinese Medicine， Jinan 250355， China
2. Chongqing Vocational Institute of Safe Technology， Chongqing 404120， China
3. Chongqing Three Gorges Medical College， Chongqing 404120， China
4. School of Food and Bioengineering， Xihua University， Chengdu 610039， China
- Publication Type:Journal Article
- Keywords:
gas chromatography-ion mobility spectrometry technology;
volatile organic compounds;
Foeniculi Fructus from Haiyuan;
chemometric methods;
geographical origin discrimination model
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2025;31(17):184-192
- CountryChina
- Language:Chinese
-
Abstract:
ObjectiveTo establish a geographical origin identification model for Foeniculi Fructus from Haiyuan， providing a new technical reference for the protection of Haiyuan's geo-authentic medicinal materials and its designation as a national geographical indication agricultural product. MethodsSamples of Foeniculi Fructus were collected from eight producing areas， including Minqin （Gansu）， Bozhou （Anhui）， Qingdao （Shandong）， Dezhou （Shandong）， Urumqi （Xinjiang）， Nujiang （Yunnan）， Gutuo （Inner Mongolia）， and Haiyuan （Ningxia）. Gas chromatography-ion mobility spectrometry （GC-IMS） was used to detect the volatile organic compounds （VOCs） in samples from these geographic origins. VOCs were qualitatively analyzed through dual matching with the National Institute of Standards and Technology （NIST） mass spectral database and the IMS drift time database. Using the Reporter module and Gallery Plot visualization tools within the LAV analytical platform， VOC fingerprint profiles characterizing geographic origins were constructed. A non-targeted analytical strategy was adopted， and 97 VOCs detected via GC-IMS were subjected to principal component analysis （PCA） and partial least squares discriminant analysis （PLS-DA） based on their differential distribution patterns to construct an origin identification model for Foeniculi Fructus from Haiyuan region. Key discriminative markers were screened using variable importance in projection （VIP） values greater than 1. ResultsA total of 97 VOCs were identified， including alcohols， aldehydes， ketones， esters， organic acids， terpenoids， ethers， alkenes， and benzenes. The PLS-DA model， based on VOCs data obtained by GC-IMS， effectively distinguished Foeniculi Fructus in Haiyuan region from those of other origins. During cross-validation， the model achieved a prediction parameter （Q2） of 0.976 and a goodness-of-fit parameter （R2） of 0.936， with no overfitting observed in permutation testing. Twelve key flavor markers with VIP > 1 were identified as characteristic indicators of Haiyuan origin. ConclusionA stable and highly predictive origin identification model for Foeniculi Fructus from Haiyuan was successfully established using GC-IMS technology， PLS-DA， and VIP-based marker screening. This model provides a novel technical strategy for accurately distinguishing Foeniculi Fructus in Haiyuan region from other regional varieties and offers new technical support for its protection as a geo-authentic medicinal material and a nationally designated geographical indication agricultural product in China.
