title: Liquid chromatography-mass spectrometry coupled with multivariate analysis for the characterization and discrimination of extractable and nonextractable polyphenols and glucosinolates from red cabbage and Brussels sprout waste streams.
abstract: Nonextractable polyphenol (NEP) fractions are usually ignored because conventional extraction methods do not release them from the plant matrix. In this study, we optimized the conditions for sonicated alkaline hydrolysis to the residues left after conventional polyphenol extraction of Brussels sprouts top (80°C, 4M NaOH, 30min) and stalks (60°C, 4M NaOH, 30min), and red cabbage waste streams (80°C, 4M NaOH, 45min) to release and characterize the NEP fraction. The NEP fractions of Brussels sprouts top (4.8±1.2mg gallic acid equivalents [GAE]/g dry waste) and stalks (3.3±0.2mg GAE/g dry waste), and red cabbage (11.5mg GAE/g dry waste) waste have significantly higher total polyphenol contents compared to their respective extractable polyphenol (EP) fractions (1.5±0.0, 2.0±0.0 and 3.7±0.0mg GAE/g dry waste, respectively). An LC-MS method combined with principal components analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) was used to tentatively identify and discriminate the polyphenol and glucosinolate composition of the EP and NEP fractions. Results revealed that phenolic profiles of the EP and NEP fractions are different and some compounds are only found in either fraction in all of the plant matrices. This suggests the need to account both fractions when analyzing the polyphenol and glucosinolate profiles of plant matrices to attain a global view of their composition. This is the first report on the discrimination of the phenolic and glucosinolate profiles of the EP and NEP fractions using metabolomics techniques.
authors.affiliation: Department of Food Safety and Food Quality, Faculty of Bioscience Engineering, Ghent University, Ghent, Belgium; Department of Industrial Biological Science, Faculty of Bioscience Engineering, Ghent University, Kortrijk, Belgium; Department of Crop Protection, Faculty of Bioscience Engineering, Ghent University, Ghent, Belgium.
authors.forename: Gerard Bryan
authors.initials: GB
authors.lastname: Gonzales
authors.affiliation: Department of Industrial Biological Science, Faculty of Bioscience Engineering, Ghent University, Kortrijk, Belgium.
authors.forename: Katleen
authors.initials: K
authors.lastname: Raes
authors.affiliation: Department of Food Safety and Food Quality, Faculty of Bioscience Engineering, Ghent University, Ghent, Belgium.
authors.forename: Hanne
authors.initials: H
authors.lastname: Vanhoutte
authors.affiliation: Department of Food Safety and Food Quality, Faculty of Bioscience Engineering, Ghent University, Ghent, Belgium.
authors.forename: Sofie
authors.initials: S
authors.lastname: Coelus
authors.affiliation: Department of Crop Protection, Faculty of Bioscience Engineering, Ghent University, Ghent, Belgium.
authors.forename: Guy
authors.initials: G
authors.lastname: Smagghe
authors.affiliation: Department of Food Safety and Food Quality, Faculty of Bioscience Engineering, Ghent University, Ghent, Belgium. Electronic address: john.vancamp@ugent.be.
authors.forename: John
authors.initials: J
authors.lastname: Van Camp
mesh_terms: D001937:Brassica / Q000737:chemistry*; D002623:Chemistry Techniques, Analytical / Q000379:methods*; D002853:Chromatography, Liquid; D016002:Discriminant Analysis; D005961:Glucosinolates / Q000032:analysis* / Q000737:chemistry; D013058:Mass Spectrometry; D055432:Metabolomics; D015999:Multivariate Analysis; D010636:Phenols / Q000737:chemistry; D059808:Polyphenols / Q000032:analysis* / Q000737:chemistry; D014866:Waste Products / Q000032:analysis*
chemical_list: D005961:Glucosinolates; D010636:Phenols; D059808:Polyphenols; D014866:Waste Products
keywords: Brassica waste; Liquid chromatography; Mass spectrometry; Orthogonal partial least squares–discriminant analysis (OPLS–DA); Polyphenols; Principal components analysis (PCA)