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Journal of the Brazilian Chemical Society, Volume: 36, Número: 1, Publicado: 2025
  • Evaluation of Total Concentration and Bioaccessible Fraction of Metals in Berry Fruits from Different Cultivars Article

    Pereira, Camila C.; Souza, Alexander O. de; Bonemann, Daisa H.; Oreste, Eliézer Q.; Antunes, Luis Eduardo C.; Cadore, Solange; Ribeiro, Anderson S.; Vieira, Mariana A.

    Resumo em Inglês:

    The objective of this work was to evaluate the total concentration and bioaccessible fractions of Ba, Ca, Cd, Cr, Cu, Fe, K, Mg, Mn, Pb, V and Zn in berry fruits and analyze the influence of different cultivars and growing conditions on the obtained results. The variations in bioaccessible concentrations were from 7.7-30, 17-29, 22-50, 1.8-96, 22-33 and 20-51% of the total concentration, for Ba, Cu, Fe, Mn, Pb and Zn, respectively. Copper showed greater bioaccessibility in blackberry and blueberry. For Fe, bioaccessibility was observed in all strawberries and blueberries and in some blackberries. Zinc presented higher bioaccessible fractions in strawberries. For V, only the sample Blackberry 124 showed bioaccessible concentration, (11% of the total concentration). Regarding the different forms of cultivation, the strawberries that received radiation from the red and white lamps presented a higher production of fruit compared to the other systems, however, in relation to the absorption of nutrients, a small variation was observed between the fruits.
  • Investigation of Diaporthe phaseolorum Chemical Compounds toward Mass Spectral Molecular Networking and in silico Substructure Annotation Article

    Moura, Mariana S.; Bellete, Barbara S.; Soares, Marcos Antônio; Vieira, Lucas C. C.; Sampaio, Olívia M.

    Resumo em Inglês:

    Diaporthe phaseolorum, an endophyte isolated from Combretum lanceolatum, has exhibited diverse biological activities including antimicrobial, leishmanicidal, antitumoral, and herbicidal properties. Regardless of these activities, there remains limited research on its chemical constituents. Therefore, this study aimed to investigate the metabolome of D. phaseolorum employing mass spectrometry data dereplication through molecular networking and MolNetEnhancer tools. Twenty two molecular families were annotated, including prenol lipids, benzenoids, organoheterocyclic compounds, and nucleosides. Among the 41 nodes annotated, 36 metabolites were confirmed via spectral references, including alismol, farnesol, linoleic acid, tyramine, N-acetyl-tyramine, 5-methoxy-1H-indole-3-carbaldehyde, 6-pentyl-2H-pyran-2-one, and adenosine. Further node annotation was achieved through MolNetEnhancer, resulting in the classification of an additional 68 nodes into various molecular families. Consequently, this study represents a significant contribution to the identification of the D. phaseolorum metabolome, highlighting its secondary metabolites and providing valuable chemical insights to elucidate its demonstrated biological activities.
  • Greener Epoxidation Reaction of Macaw Palm Oil Using Metal Oxides and Niobium Phosphate as Catalysts Short Report

    Alarcon, Rafael T.; Bannach, Gilbert; Cavalheiro, Éder Tadeu G.

    Resumo em Inglês:

    The present work focused on the screening process of different inorganic oxides and different temperatures for the epoxidation reaction of macaw palm vegetable oil without using solvent, a promising Brazilian biomass that can substitute other vegetable oils (e.g., soybean oil) in technological applications. This oil has an iodine value of 108.48 g of I2 per 100 g being categorized as a semi-dry oil. The epoxidized vegetable oil can be applied in manifold areas in polymer science. The epoxidation reaction here presented avoided organic solvents and organic acids and aimed to produce a greener route using metal oxides or niobium phosphate as a peroxide-activating catalyst. The experimental parameters were maintained as 10 mol% of catalyst loading and a time of 24 h; however, the temperature for some catalysts was changed to improve the epoxide conversion. Experiments were measured by proton nuclear magnetic resonance (1H NMR). Experiments using titanium oxide (TiO2) as a catalyst reached a conversion greater than 84.7%, while experiments using aluminium oxide (Al2O3) or lanthanum oxide (La2O3) achieved conversions of 22.6 and 30.1%, respectively. Furthermore, it was observed that both niobium compounds instantly react with hydrogen peroxide to form peroxy derivatives.
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