title: Matching in Vitro Bioaccessibility of Polyphenols and Antioxidant Capacity of Soluble Coffee by Boosted Regression Trees.
abstract: The aim of this study was to evaluate changes in polyphenol profile and antioxidant capacity of five soluble coffees throughout a simulated gastro-intestinal digestion, including absorption through a dialysis membrane. Our results demonstrate that both polyphenol content and antioxidant capacity were characteristic for each type of studied coffee, showing a drop after dialysis. Twenty-seven compounds were identified in coffee by HPLC-MS, while only 14 of them were found after dialysis. Green+roasted coffee blend and chicory+coffee blend showed the highest and lowest content of polyphenols and antioxidant capacity before in vitro digestion and after dialysis, respectively. Canonical correlation analysis showed significant correlation between the antioxidant capacity and the polyphenol profile before digestion and after dialysis. Furthermore, boosted regression trees analysis (BRT) showed that only four polyphenol compounds (5-p-coumaroylquinic acid, quinic acid, coumaroyl tryptophan conjugated, and 5-O-caffeoylquinic acid) appear to be the most relevant to explain the antioxidant capacity after dialysis, these compounds being the most bioaccessible after dialysis. To our knowledge, this is the first report matching the antioxidant capacity of foods with the polyphenol profile by BRT, which opens an interesting method of analysis for future reports on the antioxidant capacity of foods.
authors.forename: Natalia S
authors.initials: NS
authors.lastname: Podio
authors.affiliation: Departamento de Nutrición y Bromatología II, Facultad de Farmacia, Universidad Complutense de Madrid (UCM) , Madrid 28040, Spain.
authors.forename: Rebeca
authors.initials: R
authors.lastname: López-Froilán
authors.affiliation: Departamento de Nutrición y Bromatología II, Facultad de Farmacia, Universidad Complutense de Madrid (UCM) , Madrid 28040, Spain.|Centro de Investigación Interdisciplinario, Área de Nutrición, Instituto de Ciencias de la Salud, Universidad Autónoma de Estado de Hidalgo , Pachuca 42039, Mexico.
authors.forename: Esther
authors.initials: E
authors.lastname: Ramirez-Moreno
authors.forename: Lidwina
authors.initials: L
authors.lastname: Bertrand
authors.forename: María V
authors.initials: MV
authors.lastname: Baroni
authors.affiliation: Departamento de Nutrición y Bromatología II, Facultad de Farmacia, Universidad Complutense de Madrid (UCM) , Madrid 28040, Spain.
authors.forename: María L
authors.initials: ML
authors.lastname: Pérez-Rodríguez
authors.affiliation: Departamento de Nutrición y Bromatología II, Facultad de Farmacia, Universidad Complutense de Madrid (UCM) , Madrid 28040, Spain.
authors.forename: María-Cortes
authors.initials: MC
authors.lastname: Sánchez-Mata
authors.forename: Daniel A
authors.initials: DA
authors.lastname: Wunderlin
mesh_terms: D000975:Antioxidants / Q000378:metabolism*; D003069:Coffee / Q000737:chemistry / Q000378:metabolism*; D003296:Cooking; D004063:Digestion; D006801:Humans; D059808:Polyphenols / Q000378:metabolism*
chemical_list: D000975:Antioxidants; D003069:Coffee; D059808:Polyphenols
keywords: bioaccessibility; boosted regression trees; chemometrics; in vitro gastrointestinal digestion; polyphenol profile