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The presence of phenolic compounds in sunflower is well reported in the literature; however, knowledge is scarce when it comes to the composition of other secondary metabolites in this species and their by-products. This work evaluated, for the first time, the phytochemical composition of sunflower meal produced in Brazil. A combination of mixture design and central composite rotatable design 2A diverse and abundant profile of phenolic compounds was obtained from Brazilian sunflower meal: in total, 51 natural products were tentatively identified, 35 of which for the first time in sunflower. The sorption capacity of the activated charcoal, in the optimized process conditions, was effective in the separation and concentration of minority secondary metabolites. The ecofriendly extract proved to be enriched in plumberoside, p-coumaric acid, and alkaloids.Investigation of the phytochemical profile of sunflower meal produced in Brazil pointed to several secondary metabolites reported for the first time in sunflower samples, including phenolic compounds, alkaloids, and terpenes. The use of activated charcoal in an alkaline medium as an adsorbent for the concentration of these phytochemicals, from an aqueous extract, generated a potentially cost-effective, ecofriendly extract, enriched in minor metabolites, indicating a possible innovative way to selectively obtain these compounds from sunflower meal. © 2022 Society of Chemical Industry.

The purpose of the study is to characterize the chemical diversity in Rice bran (RB) lipidome and determine whether daily RB consumption for 4 weeks may modulate plasma lipid profiles in children.Untargeted and targeted lipidomics via ultra-performance liquid chromatography coupled with high-resolution tandem mass spectrometry (UPLC-MS/MS) were applied to identify bioactive RB lipids from a collection of 17 rice varieties. To determine the impact of RB (Calrose-USA variety) supplementation on plasma lipid profile, a secondary analysis of plasma lipidome was conducted on data recorded in a clinical study (NCT01911390, n = 18 moderately hypercholesterolemic children) before and after 4 weeks of dietary intervention (15 g/d) with a control or RB supplemented snack. Untargeted lipidomic revealed 118 lipids as the core of lipidome across all 17 varieties among which phospholipids were abundant and oxylipins present. Phytoprostanes and phytofurans were quantified and characterized. Lipidome analysis of the children plasma following RB consumption revealed the presence of novel polar lipids and oxylipins alongside putative modulations in endocannabinoids associated with RB consumption.The investigation of novel polar lipids, oxylipins, phytoprostanes, and phytofurans in RB extracts provides support for new health-promoting properties especially interesting for people at risk for cardiometabolic disease. This article is protected by copyright. All rights reserved.

Algae are natural products with great potential as aquafeed ingredients, being rich in nutrients and bioactive compounds. They can improve fish health while being sustainable at social, economic, and environmental levels, contributing to the one health concept. In this study, two micro- (Nannochloropsis oceanica and Chlorella vulgaris) and two macroalgae (Gracilaria gracilis and Ulva rigida), produced under commercial conditions, were selected to unravel their nutritional value (protein and lipid content; fatty acid and amino acid profiles), as well as antimicrobial activity against farmed fish and shrimp pathogenic bacteria and bioactive potential by assessing ABTS+• and DPPH• scavenging capacities. A commercial blend of these algae (ALGAESSENCE™—Feed) was included to determine possible synergistic effects. Nannochloropsis oceanica was rich in eicosapentaenoic acid and arachidonic acid (ARA) and G. gracilis had high content of ARA. Chlorella vulgaris had the highest levels of essential amino acids (EAAs), namely lysine. The blend is a well-balanced and rich source of proteins, lipids, essential fatty acids, EAAs and carbohydrates. The single algae and the blend displayed bactericidal and bacteriostatic activities against most of the tested pathogenic bacteria, with the most promising results being observed against Tenacibaculum maritimum (40–45% activity). In some cases, the micro- and macroalgae had no simultaneous bactericidal and bacteriostatic activities, but the blend was able to both kill and inhibit the growth of those bacteria. The algae had also some antioxidant activity, with G. gracilis and the blend presenting the highest values. The present results showcased the blend as a promising ingredient to be included in aquafeeds.

OBJECTIVES: Standard parenteral nutrition (PN) solutions are safe and can meet the nutritional requirements of a significant number of pediatric patients. However, they may not always be adequate for those on long term PN. We aimed to compare the composition of individually tailored prescriptions in a pediatric population on home PN with that of available commercial PN formulations. METHODS: Retrospective analysis of the individual prescriptions of metabolically stable pediatric patients on home PN over a 1-year period (March 2019 to March 2020). These were compared with commercially available solutions with electrolytes, and replacement was considered adequate if three successive criteria were met: non-protein calorie to volume ratio (maximum variation 15%); non-protein calorie to nitrogen ratio (NPC:N) (maximum variation either 20% for long term use or 35% for possible short term use); electrolyte concentration (maximum increase 20%). RESULTS: Twenty-four patients were included (67% male; median age 7.5 years). The most common diagnosis was short bowel syndrome (58%). Replacement with a standard formulation was considered appropriate for possible short term use (maximum variation of 35% in NPC:N) in 16 (67%) patients and for long term use (maximum variation of 20% in NPC:N), the number of patients decreased to 10 (42%). CONCLUSIONS: Standard PN solutions can be adequate for a significant proportion of pediatric patients on home PN. Their use in the short term may also be appropriate in holiday periods or in settings of limited resources or restricted access to hospital facilities, such as those imposed by the COVID-19 pandemic.

Phenolic compounds have attracted a lot of attention due to their benefits to human health. Jabuticaba (Myrciaria sp.) fruit has been described as an excellent source of these compounds, while Jabu...

Fruit and vegetable residues have high levels of nutrients and phytochemicals such as in edible parts. However, they are not exploited and disposed properly. Advanced methodologies used to extract ...

Fruits and vegetables (FV) consumed in natura or processed produce a significant volume of waste, causing an economic deficit in the productive chain. FV markets feature a significant production of vegetable residues with potential of use, since they commercialize an increasing amount of minimally processed vegetables and fruit juices. To this end, it is important to identify, quantify, and characterize these wastes and to propose feasible and coherent alternatives for their use at regional and worldwide levels. In this paper, a case study of two FV markets in Rio de Janeiro, Brazil, was conducted to identify and quantify FV processing waste. Over a period of 20 days, the FV residues from 31 vegetables and 17 fruits were identified and weighed. It is estimated by extrapolation that 106,000 kg of FV were processed in 1 year in two units of FV markets and 48.6% of FV were discarded as by-products. This may be a consequence of factors that contribute to waste generation, such as the low preparation and/or training of the manipulators as well as the quality of the equipment and the maintenance thereof. Thus, studies that aim to understand the environmental impact by monitoring the of FV waste are fundamental, since this waste can be used as raw material and converted into value-added products.

Natural Deep Eutectic solvents (NaDES) was used to produce, after sequential one-pot extraction and biotransformation of naturally pigmented rice bran (RB), ready-to-use extracts that improve the oxidative stability of lipids in an oil-in-water emulsion. Two NaDES-based strategies were implemented. Extraction of phenolics content varied according to the NaDES. The shiftable NaDES (obtained from the acidic-NaDES based on ChCl and xylitol) stands out by showing content of 1525 mg eq gallic acid/100 g RB. The sequential one-pot biotransformation with immobilized Candida antarctica lipase B after increasing pH, was marked by a decrease in phenolics content and a lipids profile variation. These enriched extracts could be used as natural additives or ready-to-use extracts, as confirmed by the encouraging antioxidant results observed in emulsion. Omics tools should be applied to elucidate the structural rearrangement between compounds and the pool of extracted antioxidant molecules that may explain the protection against lipid oxidation.

International audience; Phenolic compounds (PC) strongly contribute to the beneficial health effects of wheat, but their interactions can affect the quality of end-use wheat products. Free and bound PC were comprehensively characterized in 14 wheat flours (Triticum aestivum) from different Brazilian genotypes and technological qualities by using a metabolomics approach (UPLC-ESI-QTOF-MSE) combined with classical characterizations: colorimetry, ash, protein, starch and total phenolic content (TPC). Globally, 43 PC were identified: 33 (bound, 28 (free) and 15 in all flours, regardless of extract. Ferulic acid isomers were the most abundant PC, representing 25–50% of ion abundance depending on genotype. Campeiro, Sossego and Topázio genotypes showed a distinguished profile, with the highest total relative abundance of PC. TPC was significantly higher in flours with higher gluten strength (66.5–58.0 mg GAE/100 g flour). The ratio free-to-bound of PC averaged 1.15 between the flours of different technological qualities. Although PCA highlighted specific PC related to technological qualities, the genotype effect was very pronounced. This study correlates the phenolic profile and technological quality of wheat flours and provides the most recent data on the secondary metabolites profile, especially PC in refined flour, attesting to its significant nutritional importance due to its large consumption in refined forms.

International audience; The residual biomass of cold-pressed green coffee oil (GCO), rich in chlorogenic acids (CGA), was reused by incorporating the press cake (CE) and sediment (SE) extracts into carboxymethyl cellulose (CMC) films. The effect of these extracts combined with GCO was investigated on the physicochemical, barrier, and antioxidant properties, and on the ability of the active films to delay fish oil oxidation. The films with added CE and GCO (C-CE) or SE and GCO (C-SE) showed high antioxidant activity, 3.61 ± 0.01 and 2.03 ± 0.01 mmol Trolox eq/g dry film, respectively. These findings are in line with the CGA content in CE and SE (9.8 and 9.0% w/w, respectively), as determined by HPLC. The addition of SE and GCO slightly affects the oxygen barrier of CMC films, while providing them with high Ultraviolet–Visible (UV–Vis) absorption. The evolution of peroxide value (PV) and thiobarbituric acid reactive substances (TBARS) in fish oil samples covered by C-CE and C-SE films and inert headspace was significantly lower than those of controls (storage at 40 °C for 16 days). The antioxidant release from films with added CE and SE showed an antagonistic behaviour into the food simulants. Although both active films are promising for active packaging, the C-SE film appeared as more advantageous for oil-rich food protection.

Fluoroquinolones (FQs) are broad-spectrum antibiotics largely used in the clinical practice against Gram-negative and some Gram-positive bacteria. Nevertheless, bacteria have developed several antimicrobial resistance mechanisms against such class of antibiotics. Ternary complexes of FQs, copper(II) and phenanthroline, known as metalloantibiotics, arise in an attempt to counteract an antibiotic resistance mechanism related to low membrane permeability. These metalloantibiotics seem to use an alternative influx route, independent of porins. The translocation pathways of five FQs and its metalloantibiotics were studied through biophysical experiments, allowing us to infer about the role of OmpF porin in the influx. The FQ-OmpF interaction was assessed in mimetic membrane systems differing on the lipidic composition, disclosing no interference of the lipidic composition. The drug-porin interaction revealed similar values for the association constants of FQs and metalloantibiotics with native OmpF. Therefore, OmpF mutants and specific quenchers were used to study the location-association relationship, comparing a free FQ and its metalloantibiotic. The free FQ revealed a specific association, with preference for residues on the centre of OmpF, while the metalloantibiotic showed a random interaction. Thereby, metalloantibiotics may be an alternative to pure FQs, being able to overcome some antimicrobial resistance mechanism of Gram-negative bacteria related to decreased membrane permeability.

Brazilian Cerrado wheat has emerged as an alternative to expand a new agricultural frontier in tropical areas. In this study, technological quality of 34 samples grown in five locations situated in the Cerrado Mineiro was evaluated in terms of their grain, flour, and starch properties. Damaged starch was positively (p < .05) correlated with Single Kernel Characterization System parameters (r = 0.578) and pasting properties (r = 0.761), and negatively (p < .05) correlated with enthalpy (r = −0.400) and relative crystallinity (r = −0.379). The irrigation system strongly influenced the starch characteristics, rheological, and pasting properties. Piumhi location showed the highest mean of resistant starch (0.80 g/100g), bringing an interesting prebiotic appeal to these samples. Gluten index (mean = 90.6) and damaged starch (mean = 5.0%) values showed that genotypes present suitable standards for bakery products. This pioneering study highlights promising agronomic materials for cultivation in the Brazilian Cerrado region, which has great potential to produce tropical wheat. Practical applications Wheat is the second most significant staple grain after maize, constituting a strategic role in food security to the world economy. In Brazil, more than 90% of wheat is grown in traditional areas that include subtropical climates. In this scenario, Brazilian Cerrado has been standing out as a potential region for wheat cultivation to produce improver wheat class that is the main consumer-driven market. Wheat culture has been adapted under Cerrado conditions after massive investments regarding genetic improvement and integrated soil?water? nutrient? plant practices that allow high grain productivity. Thus, the characterization of wheat grain associated with flour rheological evaluation and starch profile is effective in predicting processing behavior and applicability in different bakery products. The results showed that irrigation system strongly influenced the rheological and pasting properties of starch. These samples showed suitable contents of dry gluten 11%?14%) and damaged starch (4.5%) for bakery products development. Made available in DSpace on 2021-12-17T23:45:27Z (GMT). No. of bitstreams: 1 Food-Processing-Preservation-2021-Oliveira-Brazilian-Cerrado-wheat-Technological-quality-of-genotypes-grown-in.pdf: 1516450 bytes, checksum: 1a7d9d1ccc0457144f3b7c6c26a84e87 (MD5) Previous issue date: 2021

Tropical forest marsupials exhibit large interannual variation in population sizes, with direct negative density dependence capturing the essential features of their dynamics. However, the demographic mechanisms underlying population growth rate and driving both survival and reproduction are still unclear. We used a 16-year capture-mark-recapture data set for five tropical forest marsupials to test for seasonal and interannual density dependence in survival and recruitment. Hypotheses regarding the effects of exogenous (rainfall and minimum temperature) factors on survival, recruitment, and reproductive parameters (fecundity, litter size, and proportion of reproductive females) were also tested. Population size negatively affected survival in three of five species. High population sizes in a given year reduced survival rates in the following year, with strong detrimental effects on males. Recruitment and proportion of reproductive females were highly dependent on weather variables, and were not affected by previous population sizes (except for Metachirus nudicaudatus). Fecundity (number of female offspring/female) was related negatively to population size only in the black-eared opossum (Didelphis aurita), while litter size was a relatively conservative parameter, largely independent of external conditions. Our analyses indicate that density-dependent survival is the mechanism that regulates population size of tropical forest marsupials, either through a reduction in survival or an increase in emigration rates. This general regulatory mechanism may be common to other marsupials in the Atlantic Forest and other tropical forests. Marsupiais de florestas tropicais exibem grande variação interanual nos tamanhos populacionais, com dependência negativa e direta da densidade capturando a essência de sua dinâmica populacional. No entanto, os mecanismos demográficos subjacentes à taxa de crescimento populacional e determinantes da sobrevivência e reprodução ainda são incertos. Nós usamos 16 anos de dados de captura-marcação-recaptura de cinco espécies de marsupiais de florestas tropicais para avaliar a dependência de densidade sazonal e interanual na sobrevivência e recrutamento. Hipóteses sobre efeitos de fatores exógenos (pluviosidade e temperatura mínima) na sobrevivência, recrutamento e parâmetros reprodutivos (fecundidade, tamanho da ninhada e proporção de fêmeas reprodutivas) também foram testadas. O tamanho da população afetou negativamente a sobrevivência em três das cinco espécies. O tamanho populacional elevado em um ano reduziu as taxas de sobrevivência no ano seguinte, com efeitos mais negativos nos machos. Recrutamento e proporção de fêmeas reprodutivas foram dependentes das variáveis climáticas e não foram afetados pelos tamanhos populacionais anteriores (com exceção de Metachirus nudicaudatus). A fecundidade (número de filhotes fêmea/fêmea) foi relacionada negativamente ao tamanho da população do gambá-de-orelha-preta (Didelphis aurita), enquanto o tamanho da ninhada foi um parâmetro relativamente conservador e independente das condições externas. Nossas análises indicam que a sobrevivência dependente da densidade regula as populações de marsupiais em florestas tropicais, seja através da redução na sobrevivência ou no aumento da emigração. Esse mecanismo regulatório pode ser comum a outros marsupiais na Mata Atlântica e outras florestas tropicais.

Background This study evaluated the impact of cooking on the profile of bioactive compounds in unripe breadfruit. To this end, the accessibility of bioactive compounds by various solvents was assessed through total phenolic content and antioxidant capacity analyses. The most efficient solvent was applied to extract the metabolites, which were evaluated by ultra-performance liquid chromatography coupled with high-resolution quadrupole time-of-flight mass spectrometry in MSE mode. Results Cooked and raw breadfruit presented total phenolic content and antioxidant capacities in almost all extracts, and pure water proved to be the best extractor. Globally, 146 bioactive compounds have been identified for both raw and cooked fruits' aqueous extracts. Most of these compounds were stable to the heat treatment applied (121 °C/10 min). However, results revealed that 22 metabolites contributed to significantly distinguishing the raw from the cooked samples. Among those, 15 compounds, such as pyrogallol, 1-acetoxypinoresinol, and scopolin, evidenced higher relative abundance in the cooked extracts. On the other hand, only seven metabolites, such as 4-hydroxyhippuric acid, epicatechin, and leptodactylone, decreased post-heating. Conclusions Cooking promoted little alteration in the bioactive compounds profile of immature breadfruit and thus appears to be an exploitation alternative for this perishable fruit, which seems to be a source of a large range of bioactive compounds. © 2019 Society of Chemical Industry.

Phenolic compounds (PC) extraction can be affected by many intrinsic characteristics of food matrix, as well as the analytical method employed to separate and identify these compounds. In this study, 30 conditions were analyzed considering as variables: time, temperature, and ethanol:water proportions as solvent. All extracts were analyzed into a UPLC ESI-Q-TOF-MS/MS in negative ion mode. All data were processed by QI Progenesis software by using a customized database based on phenolic compounds. The antioxidant activity (AA) was assessed by DPPH method. Globally, 43 PC were tentatively identified, and flavonoids were the most abundant. The increase in temperature was the main interfering with the extraction process. However, the temperature of 40°C for 24 h with ethanol:water ratio (75:25; v/v) promoted the most abundant extraction of hesperidin, and the highest AA (28.23 ± 0.01 µmol Trolox.g−1). All extraction conditions lead to extracts with similar qualitative profiles, but different AA.

The phenolic-profiling of seven different wheat (Triticum aestivum) genotypes was investigated for the first time during different stages of grain development (milky, softy, physiological maturity and mature). Free and bound phenolic compounds were extracted separately and analyzed by UPLC-QTOF-MSE. Total phenolic content significantly decreased, up to 50% depending on the genotype, towards the maturation of grain. The highest content (free and bound) was observed in the most immature grains, while the lowest level was found in mature grains (408.0 and 165.0 GAE mg/100 g, respectively). Globally, 237 phenolic compounds were identified, divided into 5 classes: flavonoids (85), phenolic acids (77), other polyphenols (51), lignans (16) and stilbenes (8). UPLC-MS results showed a progressively decrease of the number of phenolic identification (ID) all along grain development, milky (213), softy (192), physiological maturity (169) and mature (144). The proportion bound to free phenolic progressively increased, reaching the maximum at physiological maturity, indicating a possible enzymatic reactions and complexation during grain growth. Ferulic acid, diphyllin, 4-hydroxybenzoic acid, ferulic acid isomer, apigenin 7-O-apiosyl-glucoside isomer and myricetin isomer were the most abundant compounds. Chemometric tools showed a clear separation between immature and mature grain for all genotypes. Phenolic profile varied significantly among genotypes, this result can help the selection of varieties towards a higher retention of bioactive compounds. Noteworthy, immature wheat grains can be considered a rich source of phenolic compounds and as an attractive ingredient to incorporate to functional foods.

O artigo verificou como a Educação Ambiental é discutida nos cursos de graduação em Direito da Região Metropolitana do estado do Rio de Janeiro. Foram analisados os projetos pedagógicos de curso, matrizes curriculares e ementas das disciplinas para avaliar se há o cumprimento das normas jurídicas no que concerne à temática ambiental. Em geral, as questões ambientais são trabalhadas de forma esparsa e sem critérios objetivos, com carência da interdisciplinaridade e a falta de adequação dos temas ambientais nos currículos. Portanto, os cursos não atendem à determinação legal no que tange à Educação Ambiental, e não propiciam contribuição para a formação de cidadãos e profissionais comprometidos com a conservação ambiental, com a sustentabilidade e transformação social de seu país.

Untargeted metabolomics analysis was applied to evaluate the phenolic profile of whole wheat bread with yerba mate (YM) during the bread-making process (flour, dough and bread). The free, bound and total phenolic contents of the samples evaluated by the Folin-Ciocalteu method showed the highest values for the flour, dough and bread samples prepared with 4.5% YM in fine and medium particle sizes (flour 181.48 - 175.26 mg GAE/g; dough 149.62 - 141.40 mg GAE/g; and bread 148.32 - 147.00 mg GAE/g). Globally, 104 phenolic compounds were tentatively identified, belonging to the five subclasses: flavonoids (35), phenolic acids (32), other polyphenols (10), stilbenes (2) and lignan (1). Of these compounds, 24 had the same m/z but showed different fragmentation profiles. A higher number of polyphenols was identified in the bound extracts (77%) than in the free extracts (59%). The addition of 4.5% of YM promoted an improved and more abundant profile of phenolic compounds in the dough and bread. The major compounds found in the samples containing YM were 5-caffeoylquinic acid and caffeic acid. The baking process did not adversely affect the abundance of phenolic compounds. The bread-making process positively affected the phenolic profile due to the release of bound phenolic compounds. At the same time, the addition of YM as a natural ingredient promoted an increase in the polyphenols in the bread.

Fluoroquinolones (FQs) are antibiotics widely used in the clinical practice due to their large spectrum of action against Gram-negative and some Gram-positive bacteria. Nevertheless, the misuse and overuse of these antibiotics has triggered the development of bacterial resistance mechanisms. One of the strategies to circumvent this problem is the complexation of FQs with transition metal ions, known as metalloantibiotics, which can promote different activity and enhanced pharmacological behaviour. Here, we discuss the stability of FQ metalloantibiotics and their possible translocation pathways. The main goal of the present review is to frame the present knowledge on the conjunction of biophysical and biological tools that can help to unravel the antibacterial action of FQ metalloantibiotics. An additional goal is to shed light on the studies that must be accomplished to ensure stability and viability of such metalloantibiotics. Potentiometric, spectroscopic, microscopic, microbiological, and computational techniques are surveyed. Stability and partition constants, interaction with membrane porins and elucidation of their role in the influx, determination of the antimicrobial activity against multidrug-resistant (MDR) clinical isolates, elucidation of the mechanism of action, and toxicity assays are described for FQ metalloantibiotics.

International audience; Sorghum is a potential substitute for corn/wheat in cereal-based extruded products. Despite agronomic advantages and its rich diversity of phenolic compounds, sorghum kafirins group together and form complex with tannins, leading to a low digestibility. Phenolic content/profile by UPLC-ESI-QTOF-MSE and kafirins polymerization by SE-HPLC were evaluated in wholemeal sorghum extrudates; tannin-rich (#SC319) and tannin-free (#BRS330) genotypes with/without turmeric powder. Total phenolic, proantocyanidin and flavonoid contents were strongly correlated with antioxidant capacity (r > 0.9, p < 0.05). Extrusion increased free (+60%) and decreased bound phenolics (−40%) in #SC319, but reduced both (−40%; −90%, respectively) in #BRS330, which presented lower abundance after extrusion. Turmeric addition did not significantly impact antioxidant activity, phenolic content and profile and kafirins profile. Tannins presence/absence impacted phenolic profiles and polymerization of kafirins which appears related to the thermoplastic process. The extrusion improved proteins solubility and can positively enhance their digestibility (phenolic compounds-proteins interactions), making more accessible to proteolysis in sorghum extrudates.

Plinia cauliflora (Mart.) Kausel, known as Brazilian grape or jaboticaba, is widely used in Brazilian traditional medicine to treat infectious and inflammatory disorders. However, several aspects of its biological potential remain unclear, such as toxicity and effects on pathogenic protozoa.Investigate the phenolic composition, the in vitro and in silico toxicity profile, and the anti-Trypanosoma cruzi activity of the phenolics-enriched hydromethanolic extract of P. cauliflora leaf.Phytochemical analysis was performed ultra-performance liquid chromatography-mass spectrometry (UPLC-MSA total of 14 phenolic compounds were identified, including 11 flavonoids and 2 phenolic acids. No positive response regarding mutagenic potential was detected in Salmonella strains TA97, TA98, TA100, TA102, TA104, both in absence or presence of metabolic activation. The extract induced significant dose-response reduction on nuclear division indexes of HepG2 cells, suggesting cytostatic effects, with no micronuclei induction on cytokinesis-block micronucleus assay. Likewise, it also presented cytotoxic effects, inducing HepG2 and F C3H dose and time dependently cell death through cell membrane damage and more evidently by mitochondrial dysfunction. A dose-response curve of in vitro trypanocidal activity was observed against T. cruzi bloodstream trypomastigotes after 2 and 24 h of exposure. In silico predictions of most abundant compounds' structural alerts, pharmacokinetics and toxicity profile indicates a moderately feasible druglikeness profile and low toxicity for them, which is compatible with in vitro results.The present study demonstrated that P. cauliflora leaf extract is a potential source of antiparasitic bioactive compounds, however it presents cytotoxic effects in liver cell lines.

Bioactive compounds were extracted using two different extraction solvents (acetone and water) from pulp and whole grape berries derived from hybrid Vitis vinifera L. varieties Sweet sapphire (SP) and Sweet surprise (SU) and were characterised based on a comprehensive metabolomic approach by chromatography coupled with mass spectrometry (UPLC-QTOF-MSE and GC-FID/MS). GC-FID/MS analysis was performed with two different extraction methods (solvent extraction method and solid-phase extraction). Anthocyanins were characterised and quantified by HPLC-UV. The antioxidant potential was assessed by different assays. SP acetone extract from grape skin had the highest mean to DPPH, FRAP, ORAC and phenolic content SP samples, also showed higher anthocyanin content. Globally, 87 phenolic compounds were identified. The relative quantification by UPLC-MSE showed flavonoids the most abundant class. Forty two compounds were found in the volatile fraction of SU, while only thirty one volatile compounds were found in the SP samples.

Phenolic compounds have attracted a lot of attention due to their benefits to human health. Jabuticaba (

Fluoroquinolones (FQ) are antibiotics widely used in clinical practise, but the development of bacterial resistance to these drugs is currently a critical public health problem. In this context, ternary copper complexes of FQ (CuFQPhen) have been studied as a potential alternative. In this study, we compared the passive diffusion across the lipid bilayer of one of the most used FQ, ciprofloxacin (Cpx), and its ternary copper complex, CuCpxPhen, that has shown previous promising results regarding antibacterial activity and membrane partition. A combination of spectroscopic studies and molecular dynamics simulations were used and two different model membranes tested: one composed of anionic phospholipids, and the other composed of zwitterionic phospholipids. The obtained results showed a significantly higher membrane permeabilization activity, larger partition, and a more favourable free energy landscape for the permeation of CuCpxPhen across the membrane, when compared to Cpx. Furthermore, the computational results indicated a more favourable translocation of CuCpxPhen across the anionic membrane, when compared to the zwitterionic one, suggesting a higher specificity towards the former. These findings are important to decipher the influx mechanism of CuFQPhen in bacterial cells, which is crucial for the ultimate use of CuFQPhen complexes as an alternative to FQ to tackle multidrug-resistant bacteria.

Natural regeneration is key for large‐scale forest restoration, yet it may lead to different biodiversity outcomes depending on socio‐environmental context. We combined the results of a global meta‐analysis to quantify how biodiversity recovery in naturally regenerating forests deviates from biodiversity values in reference old‐growth forests, with structural equation modeling, to identify direct and indirect associations between socioeconomic, biophysical and ecological factors and deviation in biodiversity recovery at a landscape scale. Low deviation within a landscape means higher chances of multiple sites in naturally regenerating forests successfully recovering biodiversity compared to reference forests. Deviation in biodiversity recovery was directly negatively associated with the percentage of cropland, forest cover, and positively associated with the percentage of urban areas in the surrounding landscape. These three factors mediated the indirect associations with rural population size, recent gross deforestation, time since natural regeneration started, mean annual temperature, mean annual water deficit, road density, land opportunity cost, percentage cover of strictly protected forest areas, and human population variation in the surrounding landscape. We suggest that natural forest restoration should be prioritized in landscapes with both low socioeconomic pressures on land use conversion to pasturelands and urban areas, and high percentage of forest cover.

International audience

Fruit and vegetable byproducts (FVBP) present high content of bioactive compounds and dietary fibers and have demonstrated a positive modulatory effect upon gut microbiota composition. In the present study, the prebiotic potential of a FVBP flour obtained from solid byproducts after fruit and vegetable processing was evaluated after in vitro gastrointestinal digestion. An initial screening with three strains of Lactobacillus (Lactobacillus casei 01, Lactobacillus rhamnosus R11 and Lactobacillus acidophilus LA-5®) and one Bifidobacterium strain (Bifidobacterium animalis spp. lactis BB12®) was carried out and then the prebiotic effect of FVBP flour was performed with fecal samples of five donors. The changes in gut microbiota were evaluated at 0, 12, 24 and 48 h of fermentation by the real-time polymerase chain reaction (qPCR) method with 16S rRNA-based specific primers. The pH and short chain fatty acids (SCFA) production at each fermentation time were assessed. The fructooligosaccharides (FOS) were used as positive control. The impact of FVBP flour upon cell viability was also evaluated. FVBP flour showed higher prebiotic effect than FOS on growth enhancement of Lactobacillus after 48 h of fermentation and similar bifidogenic effect as FOS on Bifidobacterium growth at 12, 24 and 48 h of fermentation. SCFA production was observed when FVBP flour was used as carbon source, including butyrate, which supports the prebiotic potential of this flour. Additionally, it was observed that after in vitro gastrointestinal digestion, the FVBP flour at 3% promoted cell metabolism of Caco-2 cell line up to 67%. Thus, the present study demonstrates the viability of using a fruit and vegetable byproducts flour as a potential sustainable prebiotic source.

The data presented are related to the research article entitled “Evaluation of membrane fluidity of multidrug-resistant isolates of Escherichia coli and Staphylococcus aureus in presence and absence of antibiotics” (Bessa et al., 2018) [1]. This data article provides a dataset that includes emission spectra of Laurdan-labeled bacteria, namely of three Escherichia coli and three Staphylococcus aureus strains. Laurdan (6-dodecanoyl-2-dimethylaminonaphthalene) is a popular fluorescence probe used to assess membrane fluidity. Laurdan detects changes in membrane phase properties through its sensitivity to the polarity of the environment in the bilayer. Polarity changes are reflected by shifts in the Laurdan fluorescence emission spectrum that can be quantified by calculating the excitation generalized polarization (GPexc).

A two-step extraction of soluble (AG) and gluten (GLU) proteins was performed on nine common wheat flours of different technological qualities, low (LW), medium (MD), and superior (SP). The immunogenic and allergenic peptides were identified and relatively quantified by a non-targeted multiplexed MS-MS method that used a Triticum aestivum database (UniProt) and ProPepper™. Collectively, 3603 and 91,609 peptides were identified, and, after clustering and filtering for this study, approximately 450 and 1708 peptides from GLU and AG fractions, respectively, were obtained from all samples. Approximately 19% of the identified peptides showed immunogenic action associated with prolamins. For the most part, 60% of the peptides belonged to high-molecular-weight glutenins. The immunogenic peptides were more expressed in LW than in SP and MD flours. Low quality flours also contained the highest number of epitopes (28) associated with CD and wheat allergies. The major proteins from AG associated with respiratory allergies were α-amylase inhibitors and serpins. Two serpins were found more expressed in LW flours. This paper offers the most comprehensive immunogenic profile of wheat proteins based on proteomics to date. These results indicate that low quality wheat flours are a more conceivable cause of immunological reactions.

Agro-industrial byproducts are considered good sources of macronutrients and phytochemicals. Fruit and vegetable residues (FVR), obtained after the production of an isotonic beverage, have previously been characterized containing 80% insoluble dietary fibers from total fibers (48.4%), 26% available carbohydrates, 9.5% proteins and 5% lipids. Nevertheless, fruit and vegetables provide phytochemicals which have been related to human health such as phenolic compounds. The loss of specific compounds over the production process is related to their partitioning between fruit and vegetables and byproducts. However, phenolic profile of FVR remains unknown. This work is focused on the evaluation of FVR as a natural source of these bioactive compounds. For this purpose, pressurized liquid extraction (PLE) has been proposed as extraction technique for recovering phenolic compounds from FVR. The experimental variables were temperature and percentage of solvent (ethanol and water). Phenolic compounds extracts were characterized by UPLC-ESI-Q-TOF-MS and a discussion about phenolic and macronutrient interactions was established. Globally, 88 compounds were tentatively identified: phenolic acids (28), flavonoids (32), and other polyphenols (28). The PLE conditions applied yielded different breaking matrix-analyte interactions leading to an increase in the number of compounds. The highest phenolic acids content was achieved with high temperature while lower temperatures were more efficient in extracting flavonoid. By establishing the phenolics profile in food byproducts such as FVR, it is possible to more effectively apply these byproducts as nutraceutical, food or pharmaceutical ingredients.; Practical Application: Flow diagram of bioactive compounds recovering from isotonic beverage byproduct is proposed using pressurized liquid extraction. The plant-bioactives mechanism relies on fruit and vegetable byproducts changes under different extraction conditions. The obtained extracts can most effectively be applied as nutraceuticals or as ingredients in food or pharmaceutical inputs.; © 2018 Institute of Food Technologists®.

Habitat loss and fragmentation are likely to affect individual condition as they usually alter the quality of habitat. However, responses of individuals of different species to these processes may be subtle and difficult to detect, despite that such responses may reveal interesting and diverse strategies of persistence of species in fragmented landscapes. Here, we used model selection to 1) compare the body condition (Scaled Mass Index) of 2 Neotropical marsupials (Didelphis aurita and Philander frenatus) from 6 continuous forest sites and 25 forest fragments, and 2) determine whether local habitat structure and landscape and temporal factors affect body condition in forest fragments. Body condition of both species was lower in forest fragments compared to continuous forest sites, but only in the super-humid season for D. aurita and in the humid season for P. frenatus. When only forest fragments were compared, body condition of D. aurita was higher in the humid season, in sites with fewer Cecropia trees and water courses, lower percent forest cover, and surrounded by a mixed matrix (plantation and cattle ranching), or located in small rural properties. Body condition of P. frenatus was slightly higher in the super-humid season, in sites surrounded by a mixed matrix, with fewer Cecropia trees and water courses, more lianas, and greater percent forest cover. Our results revealed negative effects of habitat loss and fragmentation on both species, but also different responses of each species to local extrinsic environmental factors. We suggest that body condition should not be used as a direct indicator of animal fitness or habitat quality. Nonetheless, body condition may still reveal subtle and previously undetected responses of species to habitat disturbance and fragmentation.

Gibberellic acid elicited synthesis of many phenols from different classes and enhanced production of sesquiterpenoids, polyterpenoids, steroids and monoterpenoids compared to control and 6-benzylaminopurine. Little is known about the effects of 6-benzylaminopurine (BA) and gibberellic acid (GA3) on the synthesis of secondary metabolites in species of Lamiaceae. In this study, for the first time, the profile of secondary metabolites in plantlets of Cunila menthoides was characterized, using UPLC-ESI-Qq-oaTOF-MS. Ninety metabolites were identified, including polyphenols and terpenes. BA down-regulated most of the identified molecules in relation to GA3 and MS0 (control). The results showed that GA3 elicited synthesis of many phenols from different classes, and seemed to play a major role in the shikimate pathway in relation to BA. GA3 enhanced production of sesquiterpenoids, polyterpenoids, steroids and monoterpenoids compared to MS0 and BA, and also seemed to positively influence the MEP/DOXP and MVA pathways. These data show the most comprehensive metabolomic profile of Cunila menthoides to date, and the effects of BA and GA3 on the synthesis of secondary metabolites, modulating quantitative aspects of metabolism in Lamiaceae.

In the face of the serious problem of antimicrobial resistance and the global dissemination of multidrug-resistant (MDR) bacteria, it is relevant to deeply study such bacteria both genetically and phenotypically. It is well known that bacteria have the ability to modify the biophysical properties of their cytoplasmic membranes, namely fluidity, in order to survive and thrive in hostile environments. The aim of this study was to assess and compare the membrane fluidity among multidrug-resistant (MDR) isolates of Escherichia coli and Staphylococcus aureus in absence and in presence of antibiotics (ceftazidime or ciprofloxacin). The membrane fluidity was monitored at 24-h intervals up to three days and at the sixth day, by measuring the anisotropy of 1,6-diphenyl-1,3,5-hexatriene (DPH) and the generalized polarization (GP) of Laurdan (6-dodecanoyl-2-dimethylaminonaphthalene). The anisotropy values as well as the Laurdan excitation GP (GPexc) values obtained from all three E. coli strains (two MDR isolates and one susceptible reference strain) were quite similar and indicative of a very alike membrane phospholipid composition, regardless harboring or not resistance to multiple antimicrobials. Nonetheless, in the case of S. aureus, the anisotropy values were more increased in methicillin-resistant S. aureus (MRSA) isolates in comparison to the reference strain, meaning they have a less fluid membrane. Equally, GPexc values were statistically different among the three S. aureus strains and showed that the two MRSA isolates had more rigid membranes than the susceptible strain. The exposition of MDR isolates of S. aureus to subinhibitory concentrations of ciprofloxacin did not affect neither the anisotropy values nor the GPexc values, therefore, not altering membrane fluidity. Membrane integrity, assessed by the Live/Dead staining, of all strains and conditions studied was maintained over the six days. Thus, these preliminary studies on membrane properties of MDR isolates demonstrate that i) MRSA seem to have a more rigid membrane that susceptible S. aureus and ii) the presence of subinhibitory concentrations of antibiotics does not significantly alter the membrane fluidity of S. aureus, regardless being MDR or susceptible, but slightly affect the membrane fluidity of E. coli.

An increasing effort is dedicated to investigate the potential of native plants used in traditional medicine as a source of bioactive compounds for numerous industries. The bioprospection of the metabolome of medicinal and/or endangered plants has two important merits: confirming or revealing the biotechnological potential of that species, and assisting in its conservation. In addition, biotechnological techniques, such as tissue culture, are key strategies in conservation and multiplication of medicinal plants. This is the first in vitro development and non-targeted metabolome study by UPLC–QTOF–MSE of extracts from C. menthoides, an endangered medicinal plant. In vitro development investigation with a wide range of plant growth regulators resulted in maximum survival rate (81%) and the highest growth rate (1.74 cm ± 0.36) for plantlets cultured on Murashige and Skoog medium, supplemented with 1 µM gibberellic acid. Maximum rooting occurred on medium supplemented with 4.4 µM 6-benzyladenine, which also resulted in more leaves per plantlet (10.16 ± 1.7). We developed a protocol that can be used for the clonal propagation and ex situ conservation of this species. In terms of metabolome analysis, a total of 107 metabolites from several classes were detected and identified in its hydrophilic extract (HE), including organic acids and derivatives, glucosinolates, terpenes, phenolic compounds as well as other polar metabolites. The metabolites in HE with the greatest signal intensity included the isoquinoline alkaloid magnoflorine; the coumaric acid rosmarinic acid; the steroid-cardanolide convallatoxin; two anthraquinones including the poorly investigated ventinone A. Several molecules identified here carry potential pharmacological benefits such as anti-inflammatory and anticancer applications.

Caffeic acid (CA) has demonstrated a strong intracellular antioxidant ability by scavenging ROS, contributing to the maintenance of cell membrane structural integrity and to reduce oxidative injuries in other cell components. Nevertheless, caffeic acid has limited usage, due to its hydrophilic character. In this work, the introduction of alkyl chains in the caffeic acid molecule by esterification (methyl - C1, ethyl - C2, butyl - C4, hexyl - C6, octyl - C8 and hexadecyl - C16), significantly increased its lipophilicity. All caffeates tested showed a much higher protective activity than caffeic acid against red blood cells (RBCs) AAPH-induced oxidative stress; this protection was heavily dependent on the length of the alkyl chain of the esters, and on their concentration. At 2.5 and 5 μM, the more lipophilic compounds (C8 and C16) showed a remarkable antioxidant activity, inhibiting hemolysis; probably, their better location within the membrane leads to a better antioxidative protection; however, at 50 μM, the more hydrophilic compounds (C1-C4) showed a better activity against hemolysis than the more lipophilic ones (C8-C16). At this higher concentration, the better interaction of the more lipophilic compounds with the membrane seems to cause changes in RBC membrane fluidity, disturbing membrane integrity. Our data show that the antioxidant activity of these compounds could play an important role for the protection of different tissues and organs, by protecting cell membranes from oxidative injuries.

Climatic seasonality affects marsupial space use through changes in food, mate, and nest availability. These effects can be enhanced when population size has an additive effect in the dry season. We tested if daily home range area and intensity of habitat use of the marsupial Metachirus nudicaudatus is affected by population size, climatic (dry and wet), and reproductive (breeding and non-breeding) seasons, and if it differs between genders. Metachirus nudicaudatus space use was affected by climatic seasonality, with individuals exploring larger areas in the dry season, probably in search for food. No effect of population size or differences in space use between sexes was detected. Further studies should test experimentally the effect of food availability on marsupials space use to confirm or rebut this hypothesis.

We have been using “-Omics” sciences with classic laboratory analyses to understand the systemic metabolic and signaling changes induced by sport and exercise. We called this approach Sportomics. Our samples were collected in situ either during competitions or training to mimic the genuine challenges and conditions faced during sports. Non-targeted analysis (NTA) has opened the door to a new era of high-throughput exercise-induced metabolic research. In the present study, 30 male semi-professional soccer players were observed for two subsequent days. Both blood and urine samples were collected immediately pre-match and after matches. The most up-regulated prominent molecules were fatty acyls, carboxylic acids and derivatives, steroids and steroid derivatives. The most down-regulated molecules were fatty acyls, carboxylic acids and derivatives, as well as benzene and substituted derivatives. After metabolite identification and determining which metabolites were up- or down-regulated, we took the metabolites and grouped them into classes to examine the metabolic pathways involved with purine metabolism and to investigate hyperammonemia. To follow-up on our findings in urine, we used point-of-care instrument analysis to measure capillary blood metabolites. Glucose significantly increased by 35%, whereas urate increased by 16% and uremia by 17% without any changes in creatinemia. In the present study, we showed that hypoxanthine and related metabolites were up-regulated in urine after a soccer match, which suggested that AMP deamination was increased. In this study, we demonstrated several results through urine non-target mass spectrometry (NTMS) to understand exercise-induced changes during a soccer match using a Sportomics approach. These data together demonstrated that during a soccer game, there was an increase in ATP use provided by ADP synthesis via myokinase. Our data may show that the use of urinary metabolomics can be a less invasive way to follow the metabolism of athletes during exercise. We demonstrated that the use of NTMS may be useful for future studies that aim to design holistic interventions for improving athletic performance.

Computer modeling is an area of broad multidisciplinary knowledge that includes the study of various biological systems. This chapter will describe the molecular aspects of viral infections and molecular modeling techniques applied to drug discovery with examples of applications in protein activity inhibition in several pathologies. The first part will cover topics of computational chemistry methods, DNA technologies, structural modeling of virus proteins, molecular biology, viral vectors, virus-like particles, and pharmaceutical bioprocess with application in some specific viruses such as papillomavirus, hepatitis B virus, hepatitis C virus, Coronavirus, and Zika Virus. The second part will deal with methods in Virtual Screening for the drug design based on ligands and on the structure of target macromolecules. Molecular docking in drug design, its search algorithms, and scoring functions will be covered in the third part. Finally, a protocol of the Molecular Dynamics technique for studies of protein-ligand complexes and analysis of free energy of binding will be exposed in the last part.

Fluoroquinolones (FQs) are antibiotics commonly used in clinical practice, although nowadays they are becoming ineffective due to the emergence of several mechanisms of resistance in most bacteria. The complexation of FQs with divalent metal ions and phenanthroline (phen) is a possible approach to circumvent antimicrobial resistance, since it forms very stable complexes known as metalloantibiotics. This work is aimed at determining the antimicrobial activity of metalloantibiotics of Cu(II)FQphen against a panel of multidrug‑resistant (MDR) clinical isolates and to clarify their mechanism of action. Minimum inhibitory concentrations (MICs) were determined against MDR isolates of Escherichia coli, Pseudomonas aeruginosa and methicillin-resistant Staphylococcus aureus (MRSA). Metalloantibiotics showed improved antimicrobial activity against several clinical isolates, especially MRSA. Synergistic activity was evaluated in combination with ciprofloxacin and ampicillin by the disk diffusion and checkerboard methods. Synergistic and additive effects were shown against MRSA isolates. The mechanism of action was studied though enzymatic assays and atomic force microscopy (AFM) experiments. The results indicate a similar mechanism of action for FQs and metalloantibiotics. In summary, metalloantibiotics seem to be an effective alternative to pure FQs against MRSA. The results obtained in this work open the way to the screening of metalloantibiotics against other Gram‑positive bacteria.

This study aimed to evaluate the impact of diets including increasing amounts (1, 2 and 4%) of an iodine-rich macroalgae, Saccharina latissima, on gene expression and fillet composition of commercial-sized rainbow trout. Liver and muscle expression of genes related to growth, iodine, oxidative stress, and lipid metabolism, and the fillet content of fatty acids, cholesterol, and vitamin D3 were assessed. The highest kelp inclusion led to lower final body weight and HSI, without significant differences in mRNA transcription of genes involved in growth (ghr1, ghr2 and igf1) or iodine metabolism (dio1, thra, and thrb). A significant downregulation of an oxidative stress marker, gpx1b2, was observed in fish fed 2% S. latissima, which might suggest the need for less endogenous antioxidants. Dietary inclusion of kelp impacted lipid metabolism, with a downregulation of fatty acid synthase, accompanied by a general decrease of fatty acids in fillet. The present study demonstrated that supplementation of diets with 1 or 2% S. latissima can be achieved without detrimental effects on rainbow trout final weight. Evidence suggest a lipid-lowering effect of diets that did not compromised fillet EPA and DHA concentrations, being 3.7 times above the recommended levels for human consumption.