title: Comprehensive two-dimensional liquid chromatography-tandem mass spectrometry for the simultaneous determination of wine polyphenols and target contaminants.
abstract: A novel system for comprehensive two-dimensional liquid chromatography coupled to a triple quadrupole mass spectrometer is described for the analysis of wine components. The first dimension consisted of a 250-mm microbore cyano column utilizing 5μm diameter particles, interfaced to a 50-mm superficially-porous particle C18 column with 2.7μm diameter particles. Both columns were operated under reversed-phase conditions. Correlation between the two chromatographic separation modes was decreased by designing a 60-s shift gradient program in the second dimension, and the increase in orthogonality was evaluated quantitatively utilizing a number of orthogonality metrics. The system was employed for the analysis of a red wine sample, without preliminary clean-up procedures, and a total of 43 polyphenols were separated and identified. Comparison with a one-dimensional LC system showed a large increase in the number of identified components with the two-dimensional system. Optimized multiple reaction monitoring experiments allowed for the determination of trans-resveratrol, which is one of the most active antioxidant component of wine, and for monuron, a plant protection product (herbicide) of interest to regulatory agencies. The estimated limits of detection and of quantification were 0.3μgL(-1) and 1μgL(-1), respectively, well below the minimum detection limit (10μgL(-1)) set by current regulation.
authors.affiliation: Dipartimento di "Scienze Biomediche, Odontoiatriche e delle Immagini Morfologiche e Funzionali", University of Messina, Viale Consolare Valeria, 98165 Messina, Italy.
authors.forename: Paola
authors.initials: P
authors.lastname: Donato
authors.affiliation: Chromaleont S.r.L., Viale Boccetta 70, 98122 Messina, Italy.
authors.forename: Francesca
authors.initials: F
authors.lastname: Rigano
authors.affiliation: Dipartimento di "Scienze Biomediche, Odontoiatriche e delle Immagini Morfologiche e Funzionali", University of Messina, Viale Consolare Valeria, 98165 Messina, Italy.
authors.forename: Francesco
authors.initials: F
authors.lastname: Cacciola
authors.affiliation: Kroungold Analytical, Inc. 1299 Butler Pike, Blue Bell, PA 19422, USA.
authors.forename: Mark
authors.initials: M
authors.lastname: Schure
authors.affiliation: Diabetes Research Institute, Division of Cellular Transplantation of Surgery, University of Miami, 33136 Miami, FL, USA.
authors.forename: Sara
authors.initials: S
authors.lastname: Farnetti
authors.affiliation: Unit of Food Science and Nutrition, Department of Medicine-University Campus Bio-Medico of Rome, Via Álvaro del Portillo 21, 00128 Rome, Italy.
authors.forename: Marina
authors.initials: M
authors.lastname: Russo
authors.affiliation: Chromaleont S.r.L., Viale Boccetta 70, 98122 Messina, Italy; Dipartimento di "Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali", University of Messina-Polo Annunziata, Viale Annunziata, 98168 Messina, Italy; Unit of Food Science and Nutrition, Department of Medicine-University Campus Bio-Medico of Rome, Via Álvaro del Portillo 21, 00128 Rome, Italy.
authors.forename: Paola
authors.initials: P
authors.lastname: Dugo
authors.affiliation: Chromaleont S.r.L., Viale Boccetta 70, 98122 Messina, Italy; Dipartimento di "Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali", University of Messina-Polo Annunziata, Viale Annunziata, 98168 Messina, Italy; Unit of Food Science and Nutrition, Department of Medicine-University Campus Bio-Medico of Rome, Via Álvaro del Portillo 21, 00128 Rome, Italy. Electronic address: lmondello@unime.it.
authors.forename: Luigi
authors.initials: L
authors.lastname: Mondello
mesh_terms: D000975:Antioxidants / Q000032:analysis; D002853:Chromatography, Liquid / Q000295:instrumentation / Q000379:methods*; D005506:Food Contamination / Q000032:analysis; D006540:Herbicides / Q000032:analysis; D057230:Limit of Detection; D008782:Methylurea Compounds / Q000032:analysis; D059808:Polyphenols / Q000032:analysis* / Q000737:chemistry; D000077185:Resveratrol; D013267:Stilbenes / Q000032:analysis; D053719:Tandem Mass Spectrometry / Q000295:instrumentation / Q000379:methods*; D014920:Wine / Q000032:analysis*
chemical_list: D000975:Antioxidants; D006540:Herbicides; D008782:Methylurea Compounds; D059808:Polyphenols; D013267:Stilbenes; C100088:monuron; D000077185:Resveratrol
keywords: 2DLC; LC×LC; Orthogonality evaluation; Shift gradients; Triple quadrupole MS; Wine polyphenols