| Title: | 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 |
| Author(s): | Song X; Jing S; Zhu L; Ma C; Song T; Wu J; Zhao Q; Zheng F; Zhao M; Chen F; |
| Address: | "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. Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China. Petrochemical Research Institute, PetroChina Company Limited, Beijing 102206, China. China National Research Institute of Food and Fermentation Industries, Beijing 100015, China. School of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China. Electronic address: qzzhao@scut.edu.cn. Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China. Electronic address: zhengfp@btbu.edu.cn. School of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China. Department of Food Nutrition and Packaging Sciences, Clemson University, Clemson, SC 29634, USA" |
| DOI: | 10.1016/j.foodchem.2019.126098 |
| ISSN/ISBN: | 1873-7072 (Electronic) 0308-8146 (Linking) |
| 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 GCxGC-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" |
| Keywords: | Alcoholic Beverages/*analysis China Cluster Analysis Food Analysis/*methods/statistics & numerical data Gas Chromatography-Mass Spectrometry/*methods/statistics & numerical data Least-Squares Analysis Liquid-Liquid Extraction Metabolomics/*methods Odorant; |
| Notes: | "MedlineSong, Xuebo Jing, Si Zhu, Lin Ma, Chenfei Song, Tao Wu, Jihong Zhao, Qiangzhong Zheng, Fuping Zhao, Mouming Chen, Feng eng England 2020/01/20 Food Chem. 2020 Jun 1; 314:126098. doi: 10.1016/j.foodchem.2019.126098. Epub 2019 Dec 30" |
