In this study, the interaction between benzothiazole (BTA, concentration of a drug required for 50% inhibition in vitro (IC50) = 0.77 mM) and benzimidazole (BIA, IC50 = 2.14 mM) with urease was quantitatively assessed, using UV-Vis, molecular fluorescence, and circular dichroism. The results showed that both compounds interact with urease by a static fluorescence quenching mechanism with a non-fluorescent complex formation. The main forces responsible for stabilizing the supramolecular complex between BTA and urease were hydrophobic while, for BIA, van der Waals interactions and hydrogen bonds were the main ones. Urease conformation changes due to the interaction process were analyzed by circular dichroism and synchronous fluorescence. Besides, a competitive assay with substrate and inhibitors was used to evaluate the preferential urease site of interaction with BTA and BIA. Our experimental and theoretical studies supported that both, BTA and BIA, are mixed-inhibitors of ureases with a slight preference to the active site of such enzymes. Finally, both BTA and BIA showed to possess anti-Helicobacter pylori (one reference strain and six clinical isolates) activity, presenting minimal inhibitory concentration (MIC) values ranging from 38-150 and 20-164 µM, respectively. The urease inhibitors omeprazole and hydroxyurea showed MIC values in the range of 46-185 µM and 1683-> 3366 µM, respectively.

Considering the promising antitumor effects of compounds with dual anti-inflammatory and antiproliferative activities, thus benzophenones analogs (2-7) were evaluated on in vivo anti-inflammatory assay and molecular docking analysis. Those with the best molecular docking results were in vitro evaluated on cyclooxygenase (COX) enzymes and tested regarding antiproliferative activity. All derivatives displayed in vivo anti-inflammatory activity. Among them, the substances 2’-hydroxy-4’-benzoylphenyl-β-D-glucopyranoside (4), 4-hydroxy-4’-methoxybenzophenone (5) and 4’-(4’’-methoxybenzoyl)phenyl-β-D-glucopyranoside (7) showed the best values of Glide Score in COX-2 docking evaluation and 4 and 5 selectively inhibited COX-2 and COX-1 in vitro enzymatic assay, respectively. Thus, 4 and 5 were tested against breast cancer (MCF-7, MDA MB-231, Hs578T) and non-small-cell-lung cancer (A549) cell lines. The estrogen-positive MCF-7 cell line was more responsive compared to other tested cell lines. They induced cell cycle arrest at G1/S transition in MCF-7 cell line once there was an increase in G0/G1 population with concomitant reduction of S population. The antiproliferative activity of these substances on MCF-7 was associated with their ability to inhibit cyclin E expression, a critical regulator of G1/S transition. Taken together, the data indicate that 4 and 5 have dual anti-inflammatory and antiproliferative activities and support further studies to evaluate their antitumor potential.

Metabolomics, together with analytical methods and chemometric tools, point to new paths for selecting species that are resistant to pests and diseases. In this work, the forage palm species' metabolomic profile was investigated, and the relation between the chemical composition and resistance to Dactylopius opuntiae (carmine cochineal). The study was performed in cladodes of different non-susceptible cultivars (Nopalea cochenillifera (L.) Salm-Dyck, Opuntia stricta (Haw.), Nopalea cochenillifera and susceptible cultivar (Opuntia ficus-indica (L.) Mill.)). Metabolic profile showed 28 metabolites detected in the four species. From these total, 18 metabolites were annotated using UPLC-QTOF-MSE (ultra-performance liquid chromatography coupled with an electrospray ionization quadrupole time-of-flight mass spectrometry operating in MSE mode). By comparing the chemical profiles of non-susceptible and susceptible species through the application of chemometric tools, it was possible to obtain biomarkers (quercetin-3-O-2',6'-dirhamnosylglucoside, quercetin rhamnosyl dihexoside, and isorhamnetin-3-sophoroside-7-rhamnoside) that may be associated with resistance to carmine cochineal. Metabolomics based on UPLC-QTOF-MSE and chemometric allowed to establish the biomarkers knowledge of the resistance present in forage palm species. These results contribute to developing the initial understanding of flavonoids' role in the defense mechanisms of cactaceans and can be useful for application in breeding programs; it can increase the chances of success in creating new varieties of plants not susceptible to carmine cochineal.

RESUMO Quando uma barragem é construída, seus impactos diferem de acordo com a distância relativa da barragem, sendo que os locais mais próximos da barragem são mais afetados que os mais distantes. O barramento de um rio resulta em modificações no fluxo do rio e características da paisagem, modificando sua dinâmica hidrológica, limnológica e ecológica, como produção biológica, distribuição de espécies e estruturação do ecossistema e suas funções. O padrão de distribuição de Siluriformes (bagres) no rio Jaguariaíva foi avaliado, considerando três distâncias da barragem: montante, reservatório e jusante. As amostragens foram realizadas em três regiões distintas do rio Jaguariaíva considerando a distância em relação à barragem, entre março de 2013 e dezembro de 2014, com redes de espera, e as distintas zonas originadas pelo represamento do rio. A abundância e riqueza de espécies foram avaliadas. Um total de 840 indivíduos de Siluriformes foi capturado, distribuídos em dez espécies e quatro famílias. A maior riqueza foi observada na região a jusante do reservatório, enquanto a menor foi verificada na região da barragem. Diferenças significativas na abundância das espécies entre as três regiões foram observadas; a região a jusante do reservatório apresentou a maior abundância (CPUE), enquanto a menor abundância foi observada na região do reservatório. Hypostomus paulinus e Hypostomus strigaticeps foram abundantes e exclusivamente amostrados na região a jusante do reservatório, enquanto Corydoras ehrhardti e Cambeva diabola apresentaram maiores abundâncias na região a montante do reservatório. A distribuição longitudinal de Siluriformes observada pode ser interpretada como um efeito negativo do represamento. Resultados obtidos indicam que os impactos negativos na ictiofauna, consequentes da construção de pequenas barragens podem ser comparáveis aos impactos originados pela construção de grandes barragens. É necessário avaliar os impactos da construção de pequenas barragens na região Neotropical, pois pouco se sabe acerca desses impactos e como estes são comparáveis a grandes reservatórios.

ABSTRACT When a river is dammed, impacts differ according to distance from the dam under consideration, and sites closer to the dam are more affected than distant ones. Damming a river changes the flow and landscape characteristics, which, in turn, change the hydrological, limnological and ecological dynamics, such as biological production, species distribution, and ecosystem structuring, functioning and services. This study evaluates the distribution pattern of the Siluriformes (catfish) fish species near a small hydroelectric power plant in the Jaguariaíva River, considering three distinct distances from the dam: upstream region, reservoir and downstream region. Samples were taken with gillnets between March 2013 and December 2014. The abundance and richness of the Siluriformes species were evaluated. A permutational multivariate analysis of variance was used to access possible differences in species composition among sites. Finally, a permutational analysis of multivariate dispersion was used to assess possible differences among sampling sites and to examine composition similarities among sites. A total of 840 Siluriformes individuals were captured, distributed among ten species and four families. The highest richness was observed in the downstream region, while the lowest richness was observed in the reservoir area. Differences in the abundance of species were observed between the three distinct regions; the downstream region presented the highest species abundance (CPUE), whereas the lowest abundance was observed in the dam region. Hypostomus paulinus and Hypostomus strigaticeps were abundant species, but exclusively sampled in the downstream region, while Corydoras ehrhardti and Cambeva diabola presented their highest abundance in the upstream region. The distinct longitudinal distribution of Siluriformes observed in this study can be interpreted as indicative of the negative effects of damming. Our study suggests that building small dams may result in negative impacts on the fish assemblage, impacts comparable to those of large reservoirs in terms of spatial changes. It is fundamentally necessary to better evaluate the environmental impacts of small dams in the Neotropical region, especially because few is known about them and how such impacts are comparable to impacts of larger reservoirs.

We describe herein an efficient protocol for the one-pot synthesis of 4-organylselanylpyrazoles by direct cyclocondensation and C-H bond selenylation reactions starting from hydrazines, 1,3-diketones and diorganyl diselenides promoted by Oxone®. The products were obtained through a metal catalyst free methodology, under mild conditions, in short reaction times and moderate to excellent yields.

ABSTRACT The excessive sun exposure, coupled with lack of sun protection represents one of the biggest risks to the occurrence of skin cancer and photoaging. Recent strategies for photoprotection have included the incorporation of natural antioxidant and anti-inflammatory compounds, into sunscreens, and the oral administration of natural antioxidant extracts. In this work, we use Brazilian red propolis extract because its antioxidant and anti-inflammatory activities. The aim of this work was to evaluate the sun protection factor and antioxidant activity of different hydroalcoholic extracts of red propolis (70% and 75%) prepared from lyophilized red propolis at room and high temperatures. The sun protection factor in vitro was determined by a spectrophotometric method developed by Mansur. The hydroalcoholic extracts of red propolis incorporated with Filter UVA-UVB 5% Gel Permulem TR-1 presented absorption in the UVB region. Also, the in vitro capacity of the hydroalcoholic extracts of red propolis to increase photoprotective activity of Filter UVA-UVB 5% Gel was evaluated. The hydroalcoholic extracts of red propolis incorporated presented higher values of sun protection factor and showed synergism in the photoprotective activity of Filter UVA-UVB 5% Gel Permulem TR-1. The antioxidant activity and sun protection factor are correlated with total phenolics content of the extracts and the hydroalcoholic extract of red propolis 75% at room temperature was choosen. The formulation developed with Filter UVA-UVB 5% Gel Permulem TR-1 with this hydroalcoholic extract of red propolis showed safe to be applied on the skin according HET-CAM test. Suggests indication of hydroalcoholic extract of red propolis (75% – room temperature) associated to photoprotective formulations for use in photoprotective products.

RESUMO A suplementação alimentar com blocos multinutricionais (BM’s) para caprinos e ovinos pode ser uma alternativa viável no semiárido brasileiro, necessitando-se definir a dureza ideal para se obter a máxima eficácia alimentar. Portanto, o objetivo do trabalho foi avaliar a confecção de BM’s utilizando-se cinco aglomerantes: cimento Portland, cal, caulim, cimento Portland + caulim e cal + bentonita, em duas percentagens (7,5 e 10%) e dois tempos de cura (72 e 96 h). O delineamento experimental foi o inteiramente casualizado em esquema fatorial 5 x 2 x 2 (aglomerantes, percentagens e tempos de cura, respectivamente), com cinco repetições. A utilização da cal nos BM’s promoveu maior resistência aos corpos de prova (208,53 kPa), garantindo maior dureza aos blocos. Não houve alteração na dureza dos blocos com o tempo de cura, recomendando-se uma cura de 72 h. Houve maior absorção de água com a utilização do cimento Portland e o uso do caulim e de cal + bentonita proporcionou as menores absorções de água. O uso da cal a 10% como aglomerante e o tempo de cura de 72 h demonstraram ser a melhor combinação na confecção dos blocos multinutricionais.

ABSTRACT Feed supplementation with multinutrient blocks (MB) for sheep and goats can be a viable alternative in the Brazilian semiarid region, and it is necessary to set an ideal hardness to obtain maximum feed efficiency. Therefore, this study aimed to evaluate the manufacture of MB using five binders: Portland cement, lime, kaolin, Portland cement + kaolin and lime + bentonite, at two percentages (7.5 and 10%) and two healing times (72 and 96 h). The experimental design was completely randomized in a 5 x 2 x 2 factorial scheme (binders, percentages and healing times, respectively), with five repetitions. Using lime in the MBs led to greater resistance in the specimens (208.53 kPa), as well as the greater percentage of binders (10%), ensuring higher hardness in the blocks. No change was observed in block hardness with the healing time, and a cure of 72 h is recommended. There was greater water absorption with the use of Portland cement and the use of kaolin and of lime + bentonite led to the lowest values of water absorption. The use of lime at 10% as binder and the 72 h healing time were shown to be the best combination in the manufacture of multinutrient blocks.

ABSTRACT To characterize methicillin-resistant Staphylococcus aureus isolates from an intensive care unit of a tertiary-care teaching hospital, between 2005 and 2010. A total of 45 isolates were recovered from patients admitted to the intensive care unit in the study period. Resistance rates higher than 80% were found for clindamycin (100%), erythromycin (100%), levofloxacin (100%), azithromycin (97.7%), rifampin (88.8%), and gentamycin (86.6%). The SCCmec typing revealed that the isolates harbored the types III (66.7%), II (17.8%), IV (4.4%), and I (2.2%). Four (8.9%) isolates carried non-typeable cassettes. Most (66.7%) of the isolates were related to the Brazilian endemic clone from CC8/SCCmec III, which was prevalent (89.3%) between 2005 and 2007, while the USA100/CC5/SCCmec II lineage emerged in 2007 and was more frequent in the last few years. The study showed high rates of antimicrobial resistance among methicillin-resistant S. aureus isolates and the replacement of Brazilian clone, a well-established hospital lineage, by the USA100 in the late 2000s, at the intensive care unit under study.

RESUMO Este trabalho teve como objetivo avaliar a eficiência do carvão ativado com CO2 (CA) produzido a partir da casca de amendoim como adsorvente para remoção de fenol em solução aquosa (100-300 mg.L-1). A caracterização do CA foi realizada pelos métodos de BET, DRX, TGA, FT-IR e pHpcz, houve a caracterização da casca de amendoim (CS) para fins de comparação. Avaliou-se a influência do pH inicial da solução e a dosagem do adsorvente (D.A.). As condições de trabalho foram definidas com o auxílio de um planejamento fatorial 23 (PF) avaliando a influência das variáveis: D.A., granulometria (G.) e velocidade de agitação (V.A.) sobre o processo adsortivo, tendo como resposta a capacidade adsortiva q (mg.g-1). Com base nos resultados do PF foram realizados estudos cinéticos e de equilíbrio de adsorção. O carvão foi classificado como mesoporoso e predominantemente amorfo. Na TGA foi observada maior estabilidade do material após a ativação. Nos espectros de FT-IR foram identificadas bandas referentes a grupos hidroxilas, carboxílicos e ésteres. O pHpcz foi 10,4 possibilitando a utilização das soluções fenólicas em pH natural da solução. No PF, o maior q foi obtido para o nível 4 g.L-1, G. < 0,090 mm e 300 rpm, condição adotada nos estudos cinéticos e de equilíbrio. A evolução cinética foi rápida até 120 minutos, atingindo o equilíbrio em torno de 480 minutos. O modelo pseudo n ordem foi o que melhor se ajustou aos dados experimentais e foi constatado que o processo é controlado por mais de uma etapa, incluindo difusão intrapartícula. No estudo do equilíbrio os modelos que melhor se ajustaram aos dados experimentais foram os de Fritz-Schlunder e Redlich-Peterson apresentando qmax de 29,01 ± 0,96 mg.g-1. Os resultados demonstraram o potencial técnico do carvão em estudo para remoção de fenol presente em solução aquosa

ABSTRACT This work had the aim of evaluate the efficiency of the activated carbon with CO2 (CA) produced from peanut shell as adsorbent which was applied to remove phenol from aqueous water (100-300 mg.L-1). The characterization of the CA was performed by BET, DRX, TGA, FT-IR e pHpcz methods and was performed the characterization of the peanut shell (CS) for comparison. The influence of initial pH of the solution and the dosage of the adsorbent (D.A.) was studied. Working conditions were defined with the help of a 23 factorial design (FD) evaluating the variables influence: DA, particle size (P.S) and stirring speed (S.S.) on the adsorption process, it is found as response the adsorption capacity, q (mg g-1). Based on the FD results kinetic studies and adsorption equilibrium were performed. The coal was classified as mesoporous and is predominantly amorphous. In the TGA greater stability of the material was observed after the activation. By FT-IR spectra bands were identified hydroxyl, carboxylic and ester groups. The pHpcz was 10.4 allowing the use of phenolic solutions in the natural pH of the solution. In FD the highest q was obtained for the level 4 g.L-1, G.<0.090 mm and 300 rpm, adopted condition for executing the kinetic and equilibrium studies. The kinetic evolution was fast up to 120 minutes, reaching equilibrium around 480 minutes. The pseudo-order n model was the best fit for experimental data and it was found that the process is controlled by more than one step, including intraparticle diffusion. For the equilibrium study the models that best fit the experimental data were Fritz-Schlunder and Redlich-Peterson with a qmax of 29.01 ± 0.96 mg.g-1. The results demonstrate the technical potential of the coal under study for the removal of phenol in aqueous solutions.

ABSTRACT The objective of this study was to describe the growth of freshwater angelfish (Pterophyllum scalare) using the Gompertz model, determining the relative growth and allometric coefficients of body components in relation to body weight and protein weight. Six hundred animals were grown until 233 days of age. Data on chemical composition (water, lipid, protein, and ash) and weight measurements were obtained each 30 days. The Gompertz growth equation was used to analyze chemical allometry and to estimate growth parameters. The relationship between chemical components and body protein was estimated. Protein and body weight increased proportionally, with ash being the earliest nutrient (209.2 days), while lipid deposition occurred later. Linear regression analysis showed an inverse relationship between lipids and body water. This study provided a useful equation to predict the growth, chemical body composition, and rate of nutrient deposition across the life stages of freshwater angelfish. The rates of nutrient deposition as a function of body weight are important to understand the growth process of freshwater angelfish. Thus, mature weight was estimated in 26.14 g. The allometric relationships of body components and deposition rates indicated that protein and body weight are highly correlated across the life stages of freshwater angelfish. The Gompertz equation is a useful tool to describe the growth and body composition of freshwater angelfish.

Resumo: A teoria refinada dos 19 valores humanos básicos foi apresentada em 2012. Sua utilidade e validade discriminantes foram demonstradas em associações com atitudes e crenças, mas não comportamentos, apresentando um instrumento para medir os 19 valores em diferentes países, mas não no Brasil. Dois estudos, com três amostras brasileiras independentes, apresentam tal instrumento e investigam a validade discriminante e preditiva da teoria pelo exame das associações de cada valor com comportamentos cotidianos. Um MDS confirmatório ordenou os valores no contínuo motivacional previsto pela teoria. Análises fatoriais confirmatórias dão suporte para a validade discriminante e preditiva da teoria. Os resultados sugerem que as compatibilidades e conflitos que estruturam a relação entre os valores também organizam os comportamentos que os expressam.

Abstract: The refined theory of 19 basic human values was presented in 2012. Its discriminative validity and utility were associated with attitudes and beliefs, but not with behaviors, introducing an instrument for measuring the 19 values in different countries, but not in Brazil. Two studies, with three independent Brazilian samples, introduced this instrument and investigated the discriminative and predictive validity of the theory by examining the associations of each value with everyday behaviors. A confirmatory multidimensional scaling (MDS) ordered the values in the motivational continuum predicted by the theory. Confirmatory factor analyses support the theory's discriminative and predictive validity. The results suggest that the compatibilities and conflicts that structure the relation between values also organize the behaviors that express them.

Resumen: Se presentó en 2012 la teoría refinada de los 19 valores humanos básicos. Su utilidad y validez discriminante se demostró en asociación con las actitudes y creencias, excepto el comportamiento, un instrumento para medir los valores en 19 países diferentes, a excepción de Brasil. Dos estudios con tres muestras brasileñas independientes presentan este instrumento e investigan la validez discriminante y predictiva de la teoría mediante el examen de las asociaciones de cada valor con los comportamientos cotidianos. El escalonamiento multidimensional (MDS) confirmatorio ordenó valores en continuo motivacional predicho por la teoría. Los análisis factoriales confirmatorios proporcionan apoyo a la validez discriminante y predictiva de la teoría. Los resultados sugieren que las compatibilidades y los conflictos que estructuran la relación entre los valores también organizan los comportamientos que las expresan.

Résumé: La théorie raffinée des 19 valeurs humaines fondamentales a été présentée en 2012. Leur utilité et validité discriminantes ont été démontrées en association avec les attitudes et les croyances, mais pas avec le comportement, et présente un instrument pour mesurer les valeurs dans 19 pays différents, mais pas au Brésil. Deux études avec 3 échantillons brésiliens indépendants présentent tel instrument et enquête la validité discriminante et prédictive de la théorie en examinant les associations de chaque valeur avec des comportements quotidiens. Un MDS confirmatoire a ordonné les valeurs dans le continuum de motivation prévue par la théorie. Des analyses factorielles confirmatoires soutiennent la validité discriminante et prédictive de la théorie. Les résultats suggèrent que les compatibilités et les conflits qui structurent la relation entre les valeurs aussi organisent les comportements qui les expriment.

O estudo foi realizado com o objetivo de verificar quais medidas e razões morfométricas estão mais diretamente relacionadas com os rendimentos corporais da tilápia do Nilo, Oreochromis niloticus, em duas classes de peso. Foram analisados os dados de 257 exemplares de tilápia divididos em duas categorias de peso: p1 = 400 a 599 g e p2 = 600 a 900 g. As medidas morfométricas comprimento padrão (CP), comprimento da cabeça (CC), altura do corpo (AC) e largura do corpo (LC), e as razões entre estas medidas (CC / CP, AC / CP, LC / CP, LC / CC, LC / AC, CC / AC) foram avaliadas. Os rendimentos corporais calculados foram: carcaça (RCAR), filé (RFILE) e cabeça (RCAB). Os dados foram inicialmente submetidos ao procedimento 'stepwise' para eliminar os problemas de multicolinearidade entre as variáveis morfométricas, em seguida, as correlações entre as variáveis dependentes (rendimentos corporais) e as variáveis independentes (medidas e razões morfométrica) foram calculados. Posteriormente estas correlações foram desdobradas em efeitos diretos e indiretos por meio de análise de trilha e as contribuições diretas e indiretas de cada variável foram quantificadas percentualmente. A razão morfométrica LC / CC, para ambas as classes de peso, foi a variável mais altamente correlacionada e com o maior efeito direto sobre RFILE e RCAB, mostrando ser a variável morfométrica estudada mais importante para determinação das características de carcaça da tilápia.

The study was carried out with the objective of verifying which measures and morphometric ratios are more directly related to the body yield of Nile tilapia, Oreochromis niloticus, in two weight classes. Data were analyzed from 257 specimens of tilapia divided into two weight classes: p1 = 400 to 599 g and p2 = 600 to 900 g. The morphometric measurements standard length (SL), head length (HL), body height (BH) and body width (BW), and the ratios of these measures (HL / SL, BH / SL, BW / SL, HL / BH, BW / BH, BW / HL) were evaluated. The following body yields were calculated: carcass (RCAR), fillet (RFILE) and head (RCAB). The data were initially submitted to the "stepwise" procedure to eliminate problems of multicollinearity among the morphometric variables, then the correlations between the dependent variables (body yield) and the independent variables (measured and morphometric relationships) were calculated. Later, these correlations were divided into direct and indirect effects through path analysis, and the direct and indirect contributions of each variable measured in percentage terms. The morphometric ratio BW/HL, for both weight classes, was the variable most highly correlated and with the highest direct effect on RFILE and RCAB, showing to be the most important morphometric variable studied for tilapia carcass trait determination.