| Title: | Comprehensive two-dimensional gas chromatography-time of flight mass spectrometry (GCxGC-TOFMS) in conventional and reversed column configuration for the investigation of Baijiu aroma types and regional origin |
| Address: | "Faculty of Food Science and Nutrition, Poznan University of Life Sciences, Wojska Polskiego 31, 60-624 Poznan, Poland. Faculty of Food Science and Nutrition, Poznan University of Life Sciences, Wojska Polskiego 31, 60-624 Poznan, Poland. Electronic address: henrykj@up.poznan.pl" |
| DOI: | 10.1016/j.chroma.2020.461774 |
| ISSN/ISBN: | 1873-3778 (Electronic) 0021-9673 (Linking) |
| Abstract: | "Baijiu is a traditional Chinese spirit with an extraordinarily rich pattern of volatile compounds resulting from the microflora involved in fermentation, as well as the complexity of technological process. Comprehensive two-dimensional gas chromatography in the conventional and reversed column setups (non-polar - polar and polar - non-polar columns) was tested for its ability to differentiate Baijiu samples in terms of their aroma and origin (region). A total of 65 Baijiu samples were used for the study and volatile compounds were extracted by SPME with a subsequent analysis by GCxGC-TOFMS. Orthogonality of both setups was compared, so was the number of compounds identified using each setup. Repeatability of compound groups for the conventional and reversed column setups was compared; moreover, multiblock orthogonal component analysis (MOCA) was used to visualize data sets. OPLS-DA was used for Baijiu classification. Both column setups provided excellent discrimination of the Light, Soy sauce, Feng and Herbal aromas. A better classification result for the Strong and Jian aromas was recorded for the conventional column setup. Within the Strong aroma using OPLS-DA both column setups provided perfect abilities to discriminate Baijiu from the Sichuan, Heilongjiang and Jiangsu regions. Two validation methods were applied in the classification models - all the predictive abilities evaluated by the internal validation were further confirmed by the external validation" |
| Keywords: | Area Under Curve Discriminant Analysis Gas Chromatography-Mass Spectrometry/*methods Least-Squares Analysis ROC Curve Reproducibility of Results Solid Phase Microextraction Volatile Organic Compounds/*analysis/isolation & purification Aroma Baijiu Classif; |
| Notes: | "MedlineHe, Xi Jelen, Henryk H eng Netherlands 2020/12/18 J Chromatogr A. 2021 Jan 11; 1636:461774. doi: 10.1016/j.chroma.2020.461774. Epub 2020 Dec 3" |
