Matching in vitro bioaccessibility of polyphenols and antioxidant capacity of soluble coffee by Boosted Regression Trees

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.Fil: Podio, Natalia Soledad. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Ciencia y Tecnología de Alimentos Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Ciencia y Tecnología de Alimentos Córdoba; ArgentinaFil: López Froilán, Rebeca. Universidad Complutense de Madrid; EspañaFil: Ramirez Moreno, Esther. Universidad Autónoma de Estado de Hidalgo; México. Universidad Complutense de Madrid; EspañaFil: Bertrand, Lidwina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Córdoba. Centro de Investigaciones en Bioquímica Clínica e Inmunología; ArgentinaFil: Baroni, María Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Ciencia y Tecnología de Alimentos Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Ciencia y Tecnología de Alimentos Córdoba; ArgentinaFil: Pérez Rodríguez, María L.. Universidad Complutense de Madrid; EspañaFil: Sánchez Mata, María Cortes. Universidad Complutense de Madrid; EspañaFil: Wunderlin, Daniel A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Ciencia y Tecnología de Alimentos Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Ciencia y Tecnología de Alimentos Córdoba; Argentin

Hydrophilic antioxidant compounds in orange juice from different fruit cultivars: Composition and antioxidant activity evaluated by chemical and cellular based (Saccharomyces cerevisiae) assays

Antioxidant capacity was evaluated by a cellular model (Saccharomyces cerevisiae) and chemical methods (FRAP, TEAC and total phenols by Folin-Ciocalteu assay) in the hydrophilic fraction (phenolic compounds and ascorbic acid) of orange juices (OJs) from six varieties (Midknight, Delta Seedless, Rohde Red, Seedless, Early and clone Sambiasi), harvested in two seasons. The contents of phenolic compounds and ascorbic acid analyzed, respectively, by UPLC and HPLC were 370.04 76.97 mg/L and 52.05 6.69 mg/100 mL. Variety and season significantly influenced (p < 0.05) composition and antioxidant capacity. TEAC and FRAP values correlated well with individual hydrophilic compounds (R2 > 0.991) but no correlation with cellular assay was observed. An increase in survival rates between 23% and 38% was obtained, excepting for two varieties that showed no activity (Rohde Red and Seedless). Narirutin, naringin-d, ferulic acid-d2, didymin, neoeriocitrin and sinapic acid hexose and caffeic acid-d1 were the phenolic compounds which contributed to survival rates (R2 = 0.979, p < 0.01

Selective and eco-friendly procedures for the synthesis of benzimidazole derivatives. The role of the Er(OTf)3 catalyst in the reaction selectivity

An improved and greener protocol for the synthesis of benzimidazole derivatives, starting from o-phenylenediamine, with different aldehydes is reported. Double-condensation products were selectively obtained when Er(OTf)3 was used as the catalyst in the presence of electron-rich aldehydes. Conversely, the formation of mono-condensation products was the preferred path in absence of this catalyst. One of the major advantages of these reactions was the formation of a single product, avoiding extensive isolation and purification of products, which is frequently associated with these reactions.Theoretical calculations helped to understand the different reactivity established for these reactions. Thus, we found that the charge density on the oxygen of the carbonyl group has a significant impact on the reaction pathway. For instance, electron-rich aldehydes better coordinate to the catalyst, which favours the addition of the amine group to the carbonyl group, therefore facilitating the formation of double-condensation products.Reactions with aliphatic or aromatic aldehydes were possible, without using organic solvents and in a one-pot procedure with short reaction time (2–5 min), affording single products in excellent yields (75–99%). This convenient and eco-friendly methodology offers numerous benefits with respect to other protocols reported for similar compounds

From water to edible fish. Transfer of metals and metalloids in the San Roque Reservoir (Córdoba, Argentina). Implications associated with fish consumption

The concentration of Mn, Fe, Zn, Cu, Cd, Cr, Ni, Ag, Mo, Nd, Al, Ce, As, Sr, Pb, Pt and Hg was analysed in water, sediments, and aquatic organisms from the San Roque Reservoir (Córdoba-Argentina), sampled during the wet and dry season, to evaluate their transfer through the food web. Stable nitrogen (δ15N) isotopes were used to investigate trophic interactions. According to this, samples were divided into three trophic groups: plankton, shrimp (Palaemonetes argentinus) and fish (Silverside, Odontesthes bonariensis). Liver and gills are the main heavy metal storage tissues in fish. Hg and As concentrations in the muscle of O. bonariensis exceed the Oral Reference doses for metals established by USEPA (2009). Trophic magnification factors (TMFs) for each element were determined from the slope of the regression between trace element concentrations and δ15N. Calculated TMFs showed fundamental differences in the trophodynamics of the studied elements during the wet and dry season in the San Roque Reservoir. Concentrations of Ni, Cd, Cr, Al, Mn, Fe, Mo, Ce, Nd, Pt and Pb during both seasons, and Sr during the dry season, showed statistically significant decreases (TMF 1) in concentration with trophic level. Current results trigger the need for further studies to establish differential behaviour with different species within the aquatic web, particularly when evaluating the transfer of toxic elements to edible organisms, which could pose health risks to humans.Fil: Monferran, Magdalena Victoria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Ciencia y Tecnología de Alimentos Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Ciencia y Tecnología de Alimentos Córdoba; ArgentinaFil: Garnero, Paola Lorena. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Diversidad y Ecología Animal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto de Diversidad y Ecología Animal; ArgentinaFil: Bistoni, Maria de Los Angeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Diversidad y Ecología Animal. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas Físicas y Naturales. Instituto de Diversidad y Ecología Animal; ArgentinaFil: Anbar, Ariel A.. Arizona State University. Chemistry And Biochenistry; Estados UnidosFil: Gordon, Gwyneth W.. Arizona State University; Estados UnidosFil: Wunderlin, Daniel Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Ciencia y Tecnología de Alimentos Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Ciencia y Tecnología de Alimentos Córdoba; Argentin