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Untargeted and targeted metabolomics strategy for the classification of strong aroma-type baijiu (liquor) according to geographical origin using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry.
Food Chem. 2020 Jun 01; 314:126098.FC

Abstract

A metabolomics strategy was developed to differentiate strong aroma-type baijiu (SAB) (distilled liquor) from the Sichuan basin (SCB) and Yangtze-Huaihe River Basin (YHRB) through liquid-liquid extraction coupled with GC×GC-TOFMS. PCA effectively separated the samples from these two regions. The PLS-DA training model was excellent, with explained variation and predictive capability values of 0.988 and 0.982, respectively. As a result, the model demonstrated its ability to perfectly differentiate all the unknown SAB samples. Twenty-nine potential markers were located by variable importance in projection values, and twenty-four of them were identified and quantitated. Discrimination ability is closely correlated to the characteristic flavor compounds, such as acid, esters, furans, alcohols, sulfides and pyrazine. Most of the marker compounds were less abundant in the SCB samples than in the YHRB samples. The quantitated markers were further processed using hierarchical cluster analysis for targeted analysis, indicating that the markers had great discrimination power to differentiate the SAB samples.

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Publisher Full Text (DOI)

Authors+Show Affiliations

Song X
School of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China; Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China.
Jing S
Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China.
Zhu L
Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China.
Ma C
Petrochemical Research Institute, PetroChina Company Limited, Beijing 102206, China.
Song T
China National Research Institute of Food and Fermentation Industries, Beijing 100015, China.
Wu J
Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China.
Zhao Q
School of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China. Electronic address: qzzhao@scut.edu.cn.
Zheng F
Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China. Electronic address: zhengfp@btbu.edu.cn.
Zhao M
School of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China.
Chen F
Department of Food Nutrition and Packaging Sciences, Clemson University, Clemson, SC 29634, USA.

MeSH

Alcoholic BeveragesChinaCluster AnalysisFood AnalysisGas Chromatography-Mass SpectrometryLeast-Squares AnalysisLiquid-Liquid ExtractionMetabolomicsOdorantsPrincipal Component AnalysisTasteVolatile Organic Compounds

Pub Type(s)

Journal Article

Language

eng

PubMed ID

31954940

Citation

Song, Xuebo, et al. "Untargeted and Targeted Metabolomics Strategy for the Classification of Strong Aroma-type Baijiu (liquor) According to Geographical Origin Using Comprehensive Two-dimensional Gas Chromatography-time-of-flight Mass Spectrometry." Food Chemistry, vol. 314, 2020, p. 126098.
Song X, Jing S, Zhu L, et al. Untargeted and targeted metabolomics strategy for the classification of strong aroma-type baijiu (liquor) according to geographical origin using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry. Food Chem. 2020;314:126098.
Song, X., Jing, S., Zhu, L., Ma, C., Song, T., Wu, J., Zhao, Q., Zheng, F., Zhao, M., & Chen, F. (2020). Untargeted and targeted metabolomics strategy for the classification of strong aroma-type baijiu (liquor) according to geographical origin using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry. Food Chemistry, 314, 126098. https://doi.org/10.1016/j.foodchem.2019.126098
Song X, et al. Untargeted and Targeted Metabolomics Strategy for the Classification of Strong Aroma-type Baijiu (liquor) According to Geographical Origin Using Comprehensive Two-dimensional Gas Chromatography-time-of-flight Mass Spectrometry. Food Chem. 2020 Jun 1;314:126098. PubMed PMID: 31954940.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Untargeted and targeted metabolomics strategy for the classification of strong aroma-type baijiu (liquor) according to geographical origin using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry. AU - Song,Xuebo, AU - Jing,Si, AU - Zhu,Lin, AU - Ma,Chenfei, AU - Song,Tao, AU - Wu,Jihong, AU - Zhao,Qiangzhong, AU - Zheng,Fuping, AU - Zhao,Mouming, AU - Chen,Feng, Y1 - 2019/12/30/ PY - 2019/07/23/received PY - 2019/12/21/revised PY - 2019/12/22/accepted PY - 2020/1/20/pubmed PY - 2020/4/23/medline PY - 2020/1/20/entrez KW - 1-Butanol (PubChem CID: 263) KW - 2-Acetyl-5-methylfuran (PubChem CID: 14514) KW - 3-Octanol (PubChem CID: 11527) KW - Acetoin (PubChem CID: 179) KW - Dimethyl disulfide (PubChem CID: 12232) KW - Dimethyl trisulfide (PubChem CID: 19310) KW - GC×GC-TOFMS KW - Geographical origin KW - Isoamyl acetate (PubChem CID: 31276) KW - Metabolomics KW - Strong aroma-type baijiu KW - Targeted KW - Trimethylpyrazine (PubChem CID: 26808) KW - Untargeted SP - 126098 EP - 126098 JF - Food chemistry JO - Food Chem VL - 314 N2 - A metabolomics strategy was developed to differentiate strong aroma-type baijiu (SAB) (distilled liquor) from the Sichuan basin (SCB) and Yangtze-Huaihe River Basin (YHRB) through liquid-liquid extraction coupled with GC×GC-TOFMS. PCA effectively separated the samples from these two regions. The PLS-DA training model was excellent, with explained variation and predictive capability values of 0.988 and 0.982, respectively. As a result, the model demonstrated its ability to perfectly differentiate all the unknown SAB samples. Twenty-nine potential markers were located by variable importance in projection values, and twenty-four of them were identified and quantitated. Discrimination ability is closely correlated to the characteristic flavor compounds, such as acid, esters, furans, alcohols, sulfides and pyrazine. Most of the marker compounds were less abundant in the SCB samples than in the YHRB samples. The quantitated markers were further processed using hierarchical cluster analysis for targeted analysis, indicating that the markers had great discrimination power to differentiate the SAB samples. SN - 1873-7072 UR - https://www.unboundmedicine.com/medline/citation/31954940/Untargeted_and_targeted_metabolomics_strategy_for_the_classification_of_strong_aroma_type_baijiu__liquor__according_to_geographical_origin_using_comprehensive_two_dimensional_gas_chromatography_time_of_flight_mass_spectrometry_ DB - PRIME DP - Unbound Medicine ER -
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