Bioactive Compounds Found in Brazilian Cerrado Fruits

Functional foods include any natural product that presents health-promoting effects, thereby reducing the risk of chronic diseases. Cerrado fruits are considered a source of bioactive substances, mainly phenolic compounds, making them important functional foods. Despite this, the losses of natural vegetation in the Cerrado are progressive. Hence, the knowledge propagation about the importance of the species found in Cerrado could contribute to the preservation of this biome. This review provides information about Cerrado fruits and highlights the structures and pharmacologic potential of functional compounds found in these fruits. Compounds detected in Caryocar brasiliense Camb. (pequi), Dipteryx alata Vog. (baru), Eugenia dysenterica DC. (cagaita), Eugenia uniflora L. (pitanga), Genipa americana L. (jenipapo), Hancornia speciosa Gomes (mangaba), Mauritia flexuosa L.f. (buriti), Myrciaria cauliflora (DC) Berg (jabuticaba), Psidiumguajava L. (goiaba), Psidium spp. (araçá), Solanum lycocarpum St. Hill (lobeira), Spondias mombin L. (cajá), Annona crassiflora Mart. (araticum), among others are reported here.     

Mitochondrial DNA Alterations in Glioblastoma (GBM)

Glioblastoma (GBM) is an extremely aggressive tumor originating from neural stem cells of the central nervous system, which has high histopathological and genomic diversity. Mitochondria are cellular organelles associated with the regulation of cellular metabolism, redox signaling, energy generation, regulation of cell proliferation, and apoptosis. Accumulation of mutations in mitochondrial DNA (mtDNA) leads to mitochondrial dysfunction that plays an important role in GBM pathogenesis, favoring abnormal energy and reactive oxygen species production and resistance to apoptosis and to chemotherapeutic agents. The present review summarizes the known mitochondrial DNA alterations related to GBM, their cellular and metabolic consequences, and their association with diagnosis, prognosis, and treatment.     

2-(2-Methyl-2-nitrovinyl)furan but Not Furvina Interfere with Staphylococcus aureus Agr Quorum-Sensing System and Potentiate the Action of Fusidic Acid against Biofilms

Quorum sensing (QS) plays an essential role in the production of virulence factors, in biofilm formation and antimicrobial resistance. Consequently, inhibiting QS is being considered a promising target for antipathogenic/anti-virulence therapies. This study aims to screen 2-nitrovinylfuran derivatives structurally related to Furvina (a broad-spectrum antibiotic already used for therapeutic purposes) for their effects on QS and in biofilm prevention/control. Furvina and four 2-nitrovinylfuran derivatives (compounds 1–4) were tested to assess the ability to interfere with QS of Staphylococcus aureus using bioreporter strains (S. aureus ALC1742 and ALC1743). The activity of Furvina and the most promising quorum-sensing inhibitor (QSI) was evaluated in biofilm prevention and in biofilm control (combined with fusidic acid). The biofilms were further characterized in terms of biofilm mass, viability and membrane integrity. Compound 2 caused the most significant QS inhibition with reductions between 60% and 80%. Molecular docking simulations indicate that this compound interacts preferentially with the protein hydrophobic cleft in the LytTR domain of AgrA pocket. Metabolic inactivations of 40% for S. aureus ALC1742 and 20% for S. aureus ALC1743 were reached. A 24 h-old biofilm formed in the presence of the QSI increased the metabolic inactivation by fusidic acid to 80%, for both strains. The overall results highlight the effects of compound 2 as well as the potential of combining QSI with in-use antibiotics for the management of skin and soft tissues infections.     

Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases

Glycogen synthase kinase-3 beta (GSK-3β) is an enzyme pertinently linked to neurodegenerative diseases since it is associated with the regulation of key neuropathological features in the central nervous system. Among the different kinds of inhibitors of this kinase, the allosteric ones stand out due to their selective and subtle modulation, lowering the chance of producing side effects. The mechanism of GSK-3β allosteric modulators may be considered still vague in terms of elucidating a well-defined binding pocket and a bioactive pose for them. In this context, we propose to reinvestigate and reinforce such knowledge by the application of an extensive set of in silico methodologies, such as cavity detection, ligand 3D shape analysis and docking (with robust validation of corresponding protocols), and molecular dynamics. The results here obtained were consensually consistent in furnishing new structural data, in particular by providing a solid bioactive pose of one of the most representative GSK-3β allosteric modulators. We further applied this to the prospect for new compounds by ligand-based virtual screening and analyzed the potential of the two obtained virtual hits by quantum chemical calculations. All potential hits achieved will be subsequently tested by in vitro assays in order to validate our approaches as well as to unveil novel chemical entities as GSK-3β allosteric modulators.     

Enhanced thermal conductivity and mechanical properties of hybrid MoS2/h‐BN polyurethane nanocomposites

Nanocomposites based on molybdenum disulfide (MoS₂), hexagonal boron nitride (h‐BN) and hybrid MoS₂/h‐BN nanofillers with different wt % in elastomeric polyurethane (PU) were studied with respect to their microstructure, thermal and mechanical properties. Tensile tests showed increases up to 80% in Young`s modulus for both h‐BN and hybrid MoS₂/h‐BN composites. These results agree with dynamic mechanical analysis tests, which confirm an increase of up to 106% in storage modulus for hybrid MoS₂/h‐BN with 0.5 wt % content. When the hybrid MoS₂/h‐BN nanofillers were incorporated into the polymeric matrix, increases up to 102% in crosslink density were observed, indicating that strong interactions between the hybrid nanofillers and PU were established. However, the most important synergistic effect between the mixture of MoS₂ and h‐BN nanoadditives was the increase of up to 752% in thermal conductivity with respect to neat polymer. Therefore, hybrid composites based in two‐dimensional MoS₂/h‐BN nanofillers with multifunctional attributes can be applied in advanced polymeric materials that require high mechanical and thermal performance. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46560.     

Microencapsulation of Rosemary Essential Oil: Characterization of Particles

This study evaluated the influence of wall material concentration (10–30%), inlet temperature (135–195°C), and feed rate (0.5–1.0 L · h^?1) on the properties of rosemary oil microencapsulated by spray-drying, with gum arabic as carrier. Powder recovery, surface oil, oil retention, and hygroscopicity varied from 17.25%–33.96%, 0.03%–0.15%, 7.15%–47.57%, and 15.87%–18.90%, respectively. The optimized conditions were determined to be a wall material concentration of 19.3%, an inlet air temperature of 171°C, and a feed flow rate of 0.92 L · h^?1. At this condition, particles presented no fissures and the compositions of pure and microencapsulated oil were similar. The sorption isotherms could be described by the GAB model.     

Diel Variation in Fig Volatiles Across Syconium Development: Making Sense of Scents

Plants produce volatile organic compounds (VOCs) in a variety of contexts that include response to abiotic and biotic stresses, attraction of pollinators and parasitoids, and repulsion of herbivores. Some of these VOCs may also exhibit diel variation in emission. In Ficus racemosa, we examined variation in VOCs released by fig syconia throughout syconium development and between day and night. Syconia are globular enclosed inflorescences that serve as developing nurseries for pollinating and parasitic fig wasps. Syconia are attacked by gallers early in their development, serviced by pollinators in mid phase, and are attractive to parasitoids in response to the development of gallers at later stages. VOC bouquets of the different development phases of the syconium were distinctive, as were their day and night VOC profiles. VOCs such as α-muurolene were characteristic of the pollen-receptive diurnal phase, and may serve to attract the diurnally-active pollinating wasps. Diel patterns of release of volatiles could not be correlated with their predicted volatility as determined by Henry’s law constants at ambient temperatures. Therefore, factors other than Henry’s law constant such as stomatal conductance or VOC synthesis must explain diel variation in VOC emission. A novel use of weighted gene co-expression network analysis (WGCNA) on the volatilome resulted in seven distinct modules of co-emitted VOCs that could be interpreted on the basis of syconium ecology. Some modules were characterized by the response of fig syconia to early galling by parasitic wasps and consisted largely of green leaf volatiles (GLVs). Other modules, that could be characterized by a combination of syconia response to oviposition and tissue feeding by larvae of herbivorous galler pollinators as well as of parasitized wasps, consisted largely of putative herbivore-induced plant volatiles (HIPVs). We demonstrated the usefulness of WGCNA analysis of the volatilome in making sense of the scents produced by the syconia at different stages and diel phases of their development.     

Carotenoids, Fatty Acid composition and heat stability of supercritical carbon dioxide-extracted-oleoresins

The risk of chronic diseases has been shown to be inversely related to tomato intake and the lycopene levels in serum and tissue. Cis-isomers represent approximately 50%-80% of serum lycopene, while dietary lycopene maintains the isomeric ratio present in the plant sources with about 95% of all-trans-lycopene. Supercritical CO(2) extraction (S-CO(2)) has been extensively developed to extract lycopene from tomato and tomato processing wastes, for food or pharmaceutical industries, also by using additional plant sources as co-matrices. We compared two S-CO(2)-extracted oleoresins (from tomato and tomato/hazelnut matrices), which showed an oil-solid bi-phasic appearance, a higher cis-lycopene content, and enhanced antioxidant ability compared with the traditional solvent extracts. Heat-treating, in the range of 60-100 °C, led to changes in the lycopene isomeric composition and to enhanced antioxidant activity in both types of oleoresins. The greater stability has been related to peculiar lycopene isomer composition and to the lipid environment. The results indicate these oleoresins are a good source of potentially healthful lycopene.     

Estimation of the content of fatty acid methyl esters (FAME) in biodiesel samples from dynamic viscosity measurements

In order for biodiesel to be commercialized as pure biofuel or blending stock for diesel fuels, it must meet a set of requirements defined in standard specifications for a safe and satisfactory engine operation, one of these specifications is the content of fatty acid methyl esters (FAME). Besides, this parameter indicates the performance of the transesterification reaction for biofuel production from vegetable oils. There are several methods to determinate FAME content in biodiesel samples (chromatography, nuclear magnetic resonance spectroscopy and FTIR spectroscopy); however, they take long times and high cost for FAME content determination. From a practical point of view, in industrial biodiesel production is usually necessary to estimate the FAME value quickly. This paper presents correlations experimentally obtained from different oil feedstocks in order to estimate the biodiesel FAME content from the biodiesel dynamic viscosity, a fast determination parameter.