title: Rapidly differentiating grape seeds from different sources based on characteristic fingerprints using direct analysis in real time coupled with time-of-flight mass spectrometry combined with chemometrics.
abstract: The seeds of grapevine (Vitis vinifera) are a byproduct of wine production. To examine the potential value of grape seeds, grape seeds from seven sources were subjected to fingerprinting using direct analysis in real time coupled with time-of-flight mass spectrometry combined with chemometrics. Firstly, we listed all reported components (56 components) from grape seeds and calculated the precise m/z values of the deprotonated ions [M-H](-) . Secondly, the experimental conditions were systematically optimized based on the peak areas of total ion chromatograms of the samples. Thirdly, the seven grape seed samples were examined using the optimized method. Information about 20 grape seed components was utilized to represent characteristic fingerprints. Finally, hierarchical clustering analysis and principal component analysis were performed to analyze the data. Grape seeds from seven different sources were classified into two clusters; hierarchical clustering analysis and principal component analysis yielded similar results. The results of this study lay the foundation for appropriate utilization and exploitation of grape seed samples. Due to the absence of complicated sample preparation methods and chromatographic separation, the method developed in this study represents one of the simplest and least time-consuming methods for grape seed fingerprinting.
authors.affiliation: Medical Experiment and Analysis Center of PLA General Hospital, Beijing, P. R. China.
authors.forename: Yuqiao
authors.initials: Y
authors.lastname: Song
authors.affiliation: Medical Experiment and Analysis Center of PLA General Hospital, Beijing, P. R. China.
authors.forename: Jie
authors.initials: J
authors.lastname: Liao
authors.affiliation: Beijing Institute of Radiation Medicine, Beijing, P. R. China.
authors.forename: Junxing
authors.initials: J
authors.lastname: Dong
authors.affiliation: Beijing Institute of Radiation Medicine, Beijing, P. R. China.
authors.forename: Li
authors.initials: L
authors.lastname: Chen
mesh_terms: D000975:Antioxidants / Q000032:analysis; D002852:Chromatography, Ion Exchange; D016000:Cluster Analysis; D005504:Food Analysis / Q000379:methods; D013058:Mass Spectrometry / Q000379:methods*; D010936:Plant Extracts / Q000032:analysis / Q000737:chemistry; D025341:Principal Component Analysis; D012639:Seeds / Q000737:chemistry*; D013696:Temperature; D027843:Vitis / Q000737:chemistry*; D014920:Wine / Q000032:analysis
chemical_list: D000975:Antioxidants; D010936:Plant Extracts
keywords: Grape seeds; Hierarchical clustering analysis; Principal component analysis; Time-of-flight mass spectrometry