Comparison on chemical components of Angelicae Sinensis Radix before and after wine processing by HS-GC-IMS, HS-SPME-GC-MS, and UPLC-Q-Orbitrap-MS combined with chemometrics.
10.19540/j.cnki.cjcmm.20250321.302
- Author:
Xue-Hao SUN
1
;
Jia-Xuan CHEN
1
;
Jia-Xin YIN
1
;
Xiao HAN
1
;
Zhi-Ying DOU
2
;
Zheng LI
3
;
Li-Ping KANG
4
;
He-Shui YU
3
Author Information
1. College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine Tianjin 301617, China.
2. School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine Tianjin 301617, China.
3. College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine Tianjin 301617, China Tianjin Key Laboratory of Intelligent and Green Pharmaceuticals for Traditional Chinese Medicine Tianjin 301617, China.
4. National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences Beijing 100700, China.
- Publication Type:English Abstract
- Keywords:
Angelicae Sinensis Radix;
HS-GC-IMS;
HS-SPME-GC-MS;
UPLC-Q-Orbitrap-MS;
principal component analysis;
wine-processed Angelicae Sinensis Radix
- MeSH:
Wine/analysis*;
Gas Chromatography-Mass Spectrometry/methods*;
Chromatography, High Pressure Liquid/methods*;
Angelica sinensis/chemistry*;
Solid Phase Microextraction/methods*;
Drugs, Chinese Herbal/isolation & purification*;
Chemometrics;
Volatile Organic Compounds/chemistry*;
Principal Component Analysis;
Ion Mobility Spectrometry/methods*
- From:
China Journal of Chinese Materia Medica
2025;50(14):3909-3917
- CountryChina
- Language:Chinese
-
Abstract:
The study investigated the intrinsic changes in material basis of Angelicae Sinensis Radix during wine processing by headspace-gas chromatography-ion mobility spectrometry(HS-GC-IMS), headspace-solid phase microextraction-gas chromatography-mass spectrometry(HS-SPME-GC-MS), and ultra-high performance liquid chromatography-quadrupole-orbitrap mass spectrometry(UPLC-Q-Orbitrap-MS) combined with chemometrics. HS-GC-IMS fingerprints of Angelicae Sinensis Radix before and after wine processing were established to analyze the variation trends of volatile components and characterize volatile small-molecule substances before and after processing. Principal component analysis(PCA) and orthogonal partial least squares-discriminant analysis(OPLS-DA) were employed for differentiation and difference analysis. A total of 89 volatile components in Angelicae Sinensis Radix were identified by HS-GC-IMS, including 14 unsaturated hydrocarbons, 16 aldehydes, 13 ketones, 9 alcohols, 16 esters, 6 organic acids, and 15 other compounds. HS-SPME-GC-MS detected 118 volatile components, comprising 42 unsaturated hydrocarbons, 11 aromatic compounds, 30 alcohols, 8 alkanes, 6 organic acids, 4 ketones, 7 aldehydes, 5 esters, and 5 other volatile compounds. UPLC-Q-Orbitrap-MS identified 76 non-volatile compounds. PCA revealed distinct clusters of raw and wine-processed Angelicae Sinensis Radix samples across the three detection methods. Both PCA and OPLS-DA effectively discriminated between the two groups, and 145 compounds(VIP>1) were identified as critical markers for evaluating processing quality, including 4-methyl-3-penten-2-one, ethyl 2-methylpentanoate, and 2,4-dimethyl-1,3-dioxolane detected by HS-GC-IMS, angelic acid, β-pinene, and germacrene B detected by HS-SPME-GC-MS, and L-tryptophan, licoricone, and angenomalin detected by UPLC-Q-Orbitrap-MS. In conclusion, the integration of the three detection methods with chemometrics elucidates the differences in the chemical material basis between raw and wine-processed Angelicae Sinensis Radix, providing a scientific foundation for understanding the processing mechanisms and clinical applications of wine-processed Angelicae Sinensis Radix.
