Chemometrics combined with comprehensive two-dimensional gas chromatography-mass spectrometry for the identification of Baijiu vintage.

The identification of baijiu vintage is crucial for quality assessment and economic value determination. However, its complex composition and multifaceted influences pose significant technical challenges, necessitating research into its aging mechanisms and the development of related identification methods. This study utilized Chemometrics in conjunction with GC × GC-TOFMS for Baijiu Vintage identification. Data compression achieved a reduction of over 1000-fold without compromising key information, enabling analysis on many samples and get their changing regular in a big matrix by MCR. Subsequently, MCR-ALS facilitated the extraction of physical and chemical meaningful information related to baijiu vintage. Key MCR principal components suitable for qualitative and quantitative assessments were selected using CARS-PLS. The regression model demonstrated errors of less than one year. Furthermore, a PLS-DA model provided 30 MCR principal components as potential markers. The research results provide technical support for baijiu vintage identification and lay the groundwork for studying the changing patterns of flavor compounds in baijiu.

Flexible nano-cloth-like Ag cluster@rGO with ultrahigh SERS sensitivity for capture-optimization-detection due to effective molecule-substrate interactions.

Surface-enhanced Raman scattering (SERS) is a rapid and promising detection technique for trace molecules. A central goal of research in this area is to achieve the highly sensitive detection of molecules built on a systematic understanding of enhancement mechanisms. Herein, we develop a Ag cluster@rGO composite nanostructure, which utilizes strong molecular adsorption to achieve ultrahigh SERS sensitivity. Ag clusters are prepared without additional reducing agents, leaving a low carbon footprint in the fabrication process. Finite-difference time-domain (FDTD) simulations show strong electromagnetic field enhancements generated at the edges and interstices of Ag clusters due to the specificity of their structure. Density Functional Theory (DFT) calculations show that the HOMO-LUMO energy gap value is significantly reduced when Ag cluster@rGO forms a composite system with the target molecule, which enables efficient charge transfer between the substrate and molecules, resulting in charge transfer enhancement. A detection limit of 10-14 M using our substrate can be achieved for the environmental pollutant dye rhodamine 6G (Rh6G). The detection limits of bisphenol A (BPA) and its derivatives reach nanomolar levels with good signal stability. More importantly, we demonstrate the ability to rapidly screen BPA migration in Chinese Baijiu. Our SERS platform can be further developed for environmental pollution control and food safety.