A special storage container called Mare Nectaris bears a close relationship with Feng-flavor Baijiu quality during aging. The goal of this work is to unveil molecular mechanism of the role of Mare Nectaris in the Feng-flavor Baijiu aging as well as establishes a classification method of vintage Baijiu. Based on ultra high performance liquid chromatography quadrupole-orbitaltrap high resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS), most micromolecules especially nonvolatile molecules in Baijiu can be accurately identified and in total of 45 characteristic molecules were discovered through application of the principal component analysis (PCA), partial least square-discriminant analysis (PLS-DA), variable importance in projection (VIP). With the increase of aging year, in addition to 5-fluoro-2,3,4-three chlorobenzoic acid decreased, the other 44 components showed remarkable up-regulation, concretely comprising 10 kinds of esters, 6 organic acids, 8 amino acids , 11 bioactive components and 9 other components. By utilizing artificial neural network recognition model which used 45 characteristic molecules as inputs and 8 groups various aging years as outputs, the prediction accuracy of Baijiu vintage was up to 100%.
Lu Zhang,Xujia Cai,Yongzhe Cheng,Shiyi Chen,Min Zhang,Hongyang Zhang,Ping Hu
Gualou-Xiebai (GX), a traditional Chinese herbal pair, is often used in the treatment of cardiovascular diseases. However, the investigation into the components of GX is not comprehensive enough. In order to obtain the chemical profile of GX, a method that combined mass spectrometry with a feature-based molecular network was utilized for the identification of its complex constituents. In total, 121 compounds were annotated and four potential new compounds were inferred. In addition, an optimized fingerprint analysis method using high-performance liquid chromatography coupled with a charged aerosol detector was established, which was further validated and implemented for the simultaneous quantification of 17 ingredients in GX, including the semi-quantitative analysis of 13 allium saponins and the quantitative analysis of four fatty acids. This method achieved the detection of no ultraviolet absorption constituents in GX. The results have an important impact on revealing the chemical basis of GX and lay a foundation for further quality assessment.
危险品化学品经营许可证（带存储）