Bioisi MassSpec FacilityRationale: Fucus vesiculosus has been described with potential to develop functional foods containing bioactive compounds against various diseases. However, more studies are needed to better understand its functioning and its previously reported bioactivities, mainly at the molecular level.Methods: An untargeted metabolomic study was performed to analyse HepG2 cells exposed to F. vesiculosus aqueous extract, rich in phlorotannins and peptides, during 24 h. This study was carried out using liquid chromatography combined with highresolution tandem mass spectrometry.Results: This metabolomic study showed significant changes in HepG2 metabolites in the presence of the extract, standing out being the increased intensity of various fatty acid amides (oleamide, (Z)-eicos-11-enamide, linoleamide, palmitamide, dodecanamide and stearamide). This group of metabolites is reported in the literature with anticancer and hypocholesterolemic activity, bioactivities also described for F. vesiculosus. The extract induced, likewise, the expression of glutathione indicating its antioxidant effect.Conclusions: This study demonstrated the potential of the compounds present in the F. vesiculosus aqueous extract for the development of natural drugs, nutraceuticals or dietary supplements, justified at the molecular level by changes in cell metabolites related to anticancer and hypocholesterolemic activity. The results here described, using an untargeted metabolomic approach, may contribute to a better understanding of algal behaviour, when used as food, in health-promoting effects.

Bio-contamination of water through biofouling, which involves the natural colonization of submerged surfaces by waterborne organisms, is a global socio-economic concern, allied to premature materials bio-corrosion and high human health risks. Most effective strategies release toxic and persistent disinfectant compounds into the aquatic medium, causing environmental problems and leading to more stringent legislation regarding their use. To minimize these side effects, a newly non-biocide-release coating strategy suitable for several polymeric matrices, namely polydimethylsiloxane and polyurethane (PU)-based coatings, was used to generate antimicrobial ceramic filters for water bio-decontamination. The best results, in terms of antimicrobial activity and biocide release, showed an expressed delay and a decrease of up to 66% in the population of methicillin-resistant Staphylococcus aureus bacteria on ceramic filters coated with polyurethane (PU)-based coatings containing grafted Econea biocide, and no evidence of biocide release after being submerged for 45 days in water. Biocidal PU-based surfaces were also less prone to Enterococcus faecalis biofilm formation under flow conditions with an average reduction of 60% after 48 h compared to a pristine PU-based surface. Biocidal coated filters show to be a potential eco-friendly alternative for minimizing the environmental risks associated with biofouling formation in water-based industrial systems.

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Tentative identification of primary and secondary metabolites in aqueous extracts from aerial parts of Verbascum betonicifolium Kuntze was done. This plant belongs to the Scrophulariaceae family and is used for several treatments in folk medicine. One of the processes commonly used to prepare this plant for consumption is boiling with water during approximately 20 minutes, that is, a decoction process. After filtration, this decoction was analysed in search for bioactive metabolites. The analysis was carried out by Electro-Spray Ionization (ESI) and High-Resolution Mass Spectrometry (HRMS) was done using a Quadropole Time-of-Flight (QToF, Impact II, Bruker), coupled to an Ultra High-Performance Liquid Chromatography (UHPLC, ELUTE autosampler, Bruker). The analysis was done in the negative mode (ESI-) and the identification was accomplished using the molecular formula suggestions from the Data Analysis 4.4™ software from Bruker and some databases, like Metlin and PubChem, always confirming with MS/MS results. These data can be used for finding biomarkers between Verbascum sps or to complementary medicine practitioners to get a scientific based knowledge of their results. These data are the unpublished supplementary materials related to “Bioactivities of Iridoids and flavonoids present in decoctions from aerial parts of Verbascum betonicifolium ” (Fadel et al., 2020, submitted).

The influence of terroir in determining wine sensory properties is supported by the specific grape microbiome and metabolome, which provide distinct regional wine characteristics. In this work, the metabolic composition of grapes, must and wine of the Syrah grape variety cultivated on two sites in the same region was investigated. Concomitantly, a sensorial analysis of the produced wines was performed. Ultra-high-resolution liquid chromatography coupled with tandem mass spectrometry (UHPLC-Q-ToF-MS/MS) was applied to identify grape and wine metabolites. Untargeted metabolomics was used to identify putative biomarkers for terroir differentiation. More than 40 compounds were identified, including 28 phenolic compounds and 15 organic acids. The intensity evolution of the analyzed chemical compounds showed similar behavior during the fermentation process in both terroirs. However, the metabolic analysis of the grape, must and wine samples enabled the identification of an anthocyanin, chrysanthemin, as a putative biomarker of terroir 1. The overall sensorial quality of the wines was also evaluated, and according to the hitherto reported results, the wines from site 1 scored better than the wines from site 2. The results highlight the potential of metabolomics to assess grape and wine quality, as well as terroir association.