RESUMO Apesar de manter a coloração verde em gramados, a adubação nitrogenada influencia o crescimento da parte aérea e, assim, a frequência de cortes, principal custo de manutenção em gramados. Portanto, objetivou-se avaliar a adubação nitrogenada e o uso do glifosato como regulador de crescimento em grama esmeralda (Zoysia japonica Steud.). O experimento foi conduzido em campo, de agosto/2014 a julho/2015, usando o delineamento em blocos casualizados com 20 tratamentos dispostos em esquema fatorial 5 x 4, com quatro repetições, sendo a testemunha (sem nitrogênio - N); 15 g m-2 de N via solo e sem N via foliar; 30 g m-2 de N via solo e sem N via foliar; 15 g m-2 de N via solo e com N via foliar (1% de ureia em calda de 200 L ha-1); e 30 g m-2 de N via solo e com N via foliar combinados com doses de glifosato (0, 200, 400 e 600 g ha-1 do ingrediente ativo - i.a.). As doses de N foram parceladas em cinco aplicações ao ano. Avaliaram-se: altura, índice de clorofila foliar e acúmulo nas folhas de nitrogênio, fósforo e potássio. A adubação com 15 g m-2 de N via solo e sem N via foliar, parcelada em cinco aplicações ao ano, foi adequada ao gramado, enquanto a adubação foliar não apresentou benefícios ao gramado. O glifosato na dose de 400 g ha-1 do i.a. foi eficiente na redução do crescimento da grama esmeralda, sem prejuízo na sua coloração verde e também propiciou menor acúmulo de N, P e K foliares, reduzindo altura e produção de matéria seca.

ABSTRACT Despite maintaining the green color in turfgrasses, nitrogen (N) fertilization affects shoot growth and, consequently, the frequency of cuts, the main factor in the costs of turfgrass maintenance. Therefore, this study aimed to evaluate N fertilization and the use of glyphosate as a growth regulator in Esmeralda grass (Zoysia japonica Steud.). The experiment was conducted in the field, from August 2014 to July 2015, using a randomized block design in a 5 x 4 factorial scheme with four repetitions and 20 treatments, namely: control (without N), 15 g m-2 of N in soil without foliar N; 30 g m-2 of N in soil without foliar N; 15 g m-2 of N in soil with foliar N (1% urea in 200 L ha-1) and 30 g m-2 of N in soil with foliar N combined with glyphosate doses (0, 200, 400 and 600 g ha-1 active ingredient (a.i.)). The N doses were split into five applications along the year. The following variables were evaluated: height, leaf chlorophyll index and foliar accumulation of nitrogen, phosphorus and potassium. Fertilization with 15 g m-2 of N in soil without foliar N application, split into five times along the year, was adequate for the turfgrass, while foliar fertilization did not promote benefits. The glyphosate dose of 400 g ha-1 a.i. was effective in reducing the growth of Esmeralda grass, without compromising its color and promoted less N, P and K accumulation in the leaves, reducing the height and dry matter production.

OBJECTIVES: Hyperinfection or disseminated strongyloidiasis has been frequently reported after transplants and is related to high mortality. This study aimed to screen for strongyloidiasis using serological diagnoses in transplant candidates. METHODS: An ELISA test was performed with filariform larvae of Strongyloides venezuelensis as a source of antigen. RESULTS: In the serum from transplant candidates, anti-Strongyloides IgG antibodies were detected in 35/150 (23.3%) samples by soluble fractions in phosphate buffered saline (PBS), 31/150 (20.7%) samples by soluble fractions in Tris-HCl, 27/150 (18.0%) samples by membrane fractions in PBS and 22/150 (14.7%) samples by membrane fractions in Tris-HCl. CONCLUSIONS: The present results suggest the ELISA test, ideally using soluble fractions of filariform larvae S. venezuelensis in PBS, as an additional strategy for the diagnosis of strongyloidiasis in transplant candidates.

This work presents the electrochemical treatment of wastewater of biodiesel production, using DSA based on IrO2 and Nb2O5. The anode was prepared by modified Pechini method and characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD), in order to evaluate structural and morphological properties and by electrochemical impedance spectroscopy, cyclic voltammetry and accelerated stability test to investigate the electrochemical behavior. The SEM image shows the typical mud-cracked layer. By the XRD measurements, the oxides onto the support were crystallized as tetragonal IrO2 and hexagonal Nb2O5. The amount of glycerin and methanol in the wastewater were 1.60 and 0.31% (w/w), respectively. The electrochemical treatment of the wastewater was evaluated by electrolysis at different current densities and time. The total organic carbon (TOC) and UV-Vis spectra were performed during the electrolysis. The UV-Vis spectra obtained during the electrolysis at 100 and 150 mA cm-2, shows the disappearance of an absorption band at 264 nm and the appearance of one at 290 nm, which the absorption increases as current and the time of the electrolysis increases. The electrochemical treatment with the proposed DSA leads to 80% of removal of TOC by electrolysis at 150 mA cm-2 during the first 6 hours of the electrochemical treatment.

SUMMARY Strongyloidiasis is a potentially serious infection in immunocompromised patients. Thus, the availability of sensitive and specific diagnostic methods is desirable, especially in the context of immunosuppressed patients in whom the diagnosis and treatment of strongyloidiasis is of utmost importance. In this study, serological and molecular tools were used to diagnose Strongyloides stercoralis infections in immunosuppressed patients. Serum and stool samples were obtained from 52 patients. Stool samples were first analyzed by Lutz, Rugai, and Agar plate culture methods, and then by a quantitative real time polymerase chain reaction (qPCR). Serum samples were evaluated by an enzyme-linked immunosorbent assay (ELISA) using a soluble (AS) or a membrane fractions antigen (AM) obtained from alkaline solutions of the filariform larvae of Strongyloides venezuelensis. Of the 52 immunosuppressed patients, three (5.8%) were positive for S. stercoralis by parasitological methods, compared to two patients (3.8%) and one patient (1.9%) who were detected by ELISA using the AS and the AM antigens, respectively. S. stercoralis DNA was amplified in seven (13.5%) stool samples by qPCR. These results suggest the utility of qPCR as an alternative diagnostic tool for the diagnosis of S. stercoralis infection in immunocompromised patients, considering the possible severity of this helminthiasis in this group of patients.

RESUMO O objetivo deste estudo foi avaliar seis frações antigênicas diferentes de fêmeas parasitas de Strongyloides venezuelensis para o diagnóstico sorológico da estrongiloidíase humana. As frações solúveis e de membrana de fêmeas parasitas de S. venezuelensis foram preparadas em solução salina tamponada (SSF e SMF, respectivamente), Tris-HCl (TSF e TMF, respectivamente) e tampão alcalino (ASF e AMF, respectivamente). As amostras de soro obtidas de pacientes com estrongiloidíase, com outras parasitoses e indivíduos saudáveis, foram analisadas pelo ensaio imunoenzimático (ELISA). As frações solúveis SSF, TSF e ASF apresentaram sensibilidade de 85,0%, 75,0%, e 80,0% e especificidade de 93,1%, 93,1% e 87,5%, respectivamente. As frações de membrana, SMF, TMF e AMF demonstraram sensibilidade de 80,0%, 75,0%, e 85,0%, e especificidade de 95,8%, 90,3% e 91,7%, respectivamente. Em conclusão os presentes resultados sugerem que as frações obtidas a partir de fêmeas parasitas, especialmente o SSF e SMF, podem ser utilizadas como fonte alternativa de antígenos no imunodiagnóstico da estrongiloidiase humana.

SUMMARY The aim of this study was to evaluate six different antigenic fractions from Strongyloides venezuelensis parasitic females for the immunodiagnosis of human strongyloidiasis. Soluble and membrane fractions from S. venezuelensis parasitic females were prepared in phosphate-buffered saline (SSF and SMF, respectively), Tris-HCl (TSF and TMF, respectively), and an alkaline buffer (ASF and AMF, respectively). Serum samples obtained from patients with strongyloidiasis or, other parasitic diseases, and healthy individuals were analyzed by enzyme-linked immunosorbent assay (ELISA). Soluble fractions SSF, TSF, and ASF showed 85.0%, 75.0%, and 80.0% sensitivity and 93.1%, 93.1%, and 87.5% specificity, respectively. Membrane fractions SMF, TMF, and AMF showed 80.0%, 75.0%, and 85.0% sensitivity, and 95.8%, 90.3%, and 91.7% specificity, respectively. In conclusion, the present results suggest that the fractions obtained from parasitic females, especially the SSF and SMF, could be used as alternative antigen sources in the serodiagnosis of human strongyloidiasis.

Durante as últimas décadas as infecções fúngicas têm se tornado um crescente problema de saúde, especialmente para pacientes imunocomprometidos. Infelizmente, o padrão-ouro de terapia profilática para tal doença é baseada em derivados azólicos, que são mais fungistáticos do que fungicidas contra C. neoformans e causam hepatotoxicidade. Objetivando contornar estes problemas, inibidores não-azólicos de CYP51 foram planejados. Aqui, um abrangente estudo de relação estrutura-atividade foi executado para uma série de 110 moléculas através de um estudo de QSAR baseado em hologramas e descritores moleculares. O melhor modelo de QSAR baseado em descritores (r² = 0,92, q² = 0,90, 6 LVs e r²pred =0,86) sugere que o efeito de ressonância (ESpm08r) desempenha um papel principal para a atividade antifúngica. O modelo de QSAR baseado em hologramas (r² = 0,87, q² = 0,81, 6 LVs e r²pred = 0,84) sustenta esta hipótese. Estas percepções obtidas pelas análises integradas dos modelos de QSAR, juntamente com o bom poder preditivo comprovam sua utilidade para futuros esforços em planejamento de fármacos.

Over the last decades fungal infections have become an increasing health problem, especially for immunocompromised patients. Unfortunately, the gold standard prophylactic therapy for such ailment is based on azole derivatives, which are fungistatic rather than fungicidal against C. neoformans and cause hepatotoxicity. Aiming at circumvent these problems, non-azole CYP51 inhibitors were designed. Herein a comprehensive structure-activity relationships study was carried out for a dataset of 110 molecules by means of hologram- and descriptor-based QSAR studies. The best descriptor-based QSAR model (r² = 0.92, q² = 0.90, 6 LVs and r²pred =0.86) suggests that resonance effects (ESpm08r) play a major role for antifungal activity. The hologram-based QSAR (r² = 0.87, q² = 0.81, 6 LVs and r²pred = 0.84) supports this hypothesis and hints at steric properties that should also contribute to non-azole inhibitors potency. The insights provided by the integrated analysis of QSAR models, along with their good predictive power prove their usefulness to future drug design efforts.

Apesar dos avanços no desenvolvimento de antifúngicos, tem ocorrido um aumento de casos de criptococose que não respondem de forma adequada a fluconazol (fármaco de primeira escolha). Portanto, é de suma importância investigar as propriedades químicas de derivados azólicos que sejam ativos contra cepas de Cryptococcus neoformans resistentes a fluconazol. Visando alcançar esse objetivo, o perfil de suscetibilidade de um isolado clínico de C. neoformans resistente contra 33 derivados azólicos comerciais foi avaliado junto com as suas respectivas concentrações inibitórias mínimas (MIC). Esses dados foram utilizados para construir modelos SIMCA (modelagem independente flexível por analogias de classes) que destacam a importância de propriedades eletrônicas (JGI10) para separar as moléculas ativas das inativas e para construir modelos de holograma-QSAR que apresentam bom ajuste, mas capacidade preditiva baixa (HQSAR, r² = 0.85, q² = 0.35 e r²pred = 0.38). Por outro lado, modelos de QSAR 2D desenvolvidos a partir de descritores topológicos apresentaramm boa qualidade estatística (r² = 0.95, q² = 0.86, r²pred = 0.72) e destacam que a distribuição de cargas (GGI1) e a eletronegatividade topológica (GATS1e e MATS2e) devem ser modulados para contornar a resistência de C. neoformans.

Despite advances in the development of antifungal drugs, there has been an upsurge of cryptococosis infections that poorly respond to fluconazole (first choice drug). Hence, it is paramount to investigate the chemical properties of azole derivatives that are active against resistant C. neoformans. In order to achieve this goal, the susceptibility profile of a clinical isolate of resistant C. neoformans against 33 commercial azole derivatives was evaluated along with their potency (minimum inhibitory concentration, MIC). These data were employed to build SIMCA (soft independent modeling of class analogies) models that pinpoint the importance of electronic features (JGI10) to separate active from inactive compounds and hologram-QSAR models that have good fit but insufficient predictive power (HQSAR, r² = 0.85, q² = 0.35 and r²pred = 0.38). Conversely, 2D QSAR models built from topological descriptors improved the statistical quality (r² = 0.95, q² = 0.86, r²pred = 0.72) and highlight that charge distribution (GGI1) and topological electronegativity (GATS1e and MATS2e) should be modulated to overcome the C. neoformans resistance.

Azole derivatives are the main therapeutical resource against Candida albicans infection in immunocompromised patients. Nevertheless, the widespread use of azoles has led to reduced effectiveness and selection of resistant strains. In order to guide the development of novel antifungal drugs, 2D-QSAR models based on topological descriptors or molecular fragments were developed for a dataset of 74 molecules. The optimal fragment-based model (r² = 0.88, q² = 0.73 and r²pred = 0.62 with 6PCs) and descriptor-based model (r² = 0.82, q² = 0.79 and r²pred = 0.70 with 2 PCs), when analysed synergically, suggested that the triazolone ring and lipophilic properties are both important to antifungal activity.

Moniliophthora perniciosa, o agente causal da vassoura-de-bruxa do cacaueiro, diminuiu significativamente a produção de cacau, especialmente no estado da Bahia, a maior região produtora de cacau do continente americano. As formas de controle desenvolvidas até o momento têm baixa eficiência. Derivados de azol são ativos tanto in vitro quanto in loco contra M. perniciosa, porém não há um estudo sistemático sobre a atividade dos azóis contra este fitopatogeno. Dados biológicos, obtidos em um ensaio padronizado, foram utilizados para criação de modelos quimiométricos, que destacam características físico e estruturais importantes para a atividade fungicida de derivados de azol frente a M. perniciosa. De acordo com os modelos de PCA e SIMCA, características eletrônicas, representadas pelos descritores BEHe3 e JGI4, paralelamente à possibilidadde de realizar ligações de H e ausência de átomos de cloro, distantes de 6-8 ligações dos nitrogênios do anel azólico, parecem contribuir para atividade fungicida dos compostos estudados

Moniliophthora perniciosa, the causal agent of witches' broom disease in Theobroma cacao, significantly decreased cacao production, especially in Bahia State, the largest cocoa producing of the American continent. Control programs developed so far have low efficiency. Azole derivatives are active both in vitro and in loco against M. perniciosa, however there is no comprehensive study on the activity of azoles against this phytopatogen. Standardized in vitro biological data were employed to develop supervised and unsupervised chemometric models that highlight physicochemical and structural features that are crucial for azole's fungicidal activity against M. perniciosa. Thus, PCA and SIMCA models suggest that electronegativity (BEHe3) and dipolar moment (JGI4), as well as H-bonding to M. pernciosa's lanosterol 14α-desmethylase active site and lack of Cl atoms 6 to 8 bonds from the azole's nitrogen atoms play a major role to azoles' fungicide activity.

Nesse trabalho foi avaliada a atividade inibitória sobre a enzima glicossomal gliceraldeído-3-fosfato desidrogenase de T. cruzi (gGAPDH) de extratos vegetais oriundos de plantas das famílias Meliaceae e Rutaceae, na concentração de 100 μg/mL. Foram testados 46 extratos, dos quais 15 apresentaram atividade inibitória significativa (% AI > 50). A maioria dos extratos de plantas da família Meliaceae (Cedrela fissilis, Cipadessa fruticosa e Trichilia ramalhoi) apresentou grande potencial em inibir a atividade enzimática. O fracionamento do extrato hexânico dos galhos de C. fruticosa permitiu o isolamento de três flavonóides: flavona, 7-metoxiflavona e 3',4',5',5,7-pentametoxiflavona. Os dois últimos foram ativos na inibição da atividade de gGAPDH. Desta forma, as três espécies de Meliaceae testadas podem ser consideradas promissoras na busca de compostos protótipos para o controle da doença de Chagas.

The inhibitory activity of crude extracts of Meliaceae and Rutaceae plants on glycosomal glyceraldehyde-3-phosphate dehydrogenase (gGAPDH) enzyme from Trypanosoma cruzi was evaluated at 100 μg/mL. Forty-six extracts were tested and fifteen of them showed significant inhibitory activity (IA % > 50). The majority of the assayed extracts of Meliaceae plants (Cedrela fissilis, Cipadessa fruticosa and Trichilia ramalhoi) showed high ability to inhibit the enzymatic activity. The fractionation of the hexane extract from branches of C. fruticosa led to the isolation of three flavonoids: flavone, 7-methoxyflavone and 3',4',5',5,7-pentamethoxyflavone. The two last compounds showed high ability to inhibit the gGAPDH activity. Therefore, the assayed Meliaceae species could be considered as a promising source of lead compounds against Chagas' disease.

Alzheimer's disease (AD) is considered the main cause of cognitive decline in adults. The available therapies for AD treatment seek to maintain the activity of cholinergic system through the inhibition of the enzyme acetylcholinesterase. However, butyrylcholinesterase (BuChE) can be considered an alternative target for AD treatment. Aiming at developing new BuChE inhibitors, robust QSAR 3D models with high predictive power were developed. The best model presents a good fit (r²=0.82, q²=0.76, with two PCs) and high predictive power (r²predict=0.88). Analysis of regression vector shows that steric properties have considerable importance to the inhibition of the BuChE.

Candida albicans (CA) é considerado como o principal patógeno oportunista em pacientes imunossuprimidos. A maior parte dos fármacos disponíveis para o tratamento de cepas resistentes são altamente tóxicos ou ineficazes. Uma forma de amenizar esse cenário seria através de modificações na estrutura de derivados de azóis que resultassem no aumento da potência e seletividade. Visando esclarecer quais propriedades químicas e estruturais são importantes para atividade antifúngica de derivados de azol, estudos de QSAR 2D clássico e holograma QSAR (HQSAR) foram realizados para um conjunto diverso de 52 derivados de bifonazol com atividade antifúngica. Os descritores topológicos utilizados nos estudos de QSAR 2D clássico originaram modelos com baixa consistência interna (r² = 0,38, q² = 0,27) e poder preditivo nulo (r²pred = -0,6). Por outro lado, a utilização de hologramas moleculares possibilitou a criação de modelos de HQSAR robustos (r² = 0,92, q² = 0,65) e com bom poder preditivo (r²pred = 0,79).

Candida albicans (CA) has been identified as the major opportunistic pathogen in immunosuppressed patients. Most of currently available drugs are either highly toxic or becoming ineffective against resistant strains. An approach to overcome this burden relies on azole derivatives with increased potency and selectivity. Aiming at shedding some light on structural and chemical features that are important for the antifungal activity of azole derivatives, classical 2D QSAR and hologram QSAR (HQSAR) studies were performed for a diverse set of 52 bifonazole derivatives with antifungal activity. Topological descriptors, employed in Classical QSAR studies, resulted in models with low correlation (r² = 0.38, q² = 0.27) and lack of predictive power (r²pred = -0.6). On the other hand molecular holograms afforded HQSAR models with good correlation coefficients (r² = 0.92, q² = 0.65) and good predictive ability (r²pred = 0.79).

A doença de Chagas, causada pelo Trypanosoma cruzi, é endêmica em 15 países na América Latina. Neste trabalho uma coleção de 38 cumarinas foi preparada em solução e testada frente à enzima gliceraldeído-3-fostafo-desidrogenase (gGAPDH) do T. cruzi. A rota sintética foi baseada na condensação de Knoevenagel de diferentes 2-hidroxibenzaldeídos com ácido de Meldrum ou malonato de etila, seguido de O-alquilação e/ou reação de transesterificação. Dentre as cumarinas preparadas, os melhores resultados obtidos para inibir 50% da atividade catalítica da enzima foram entre 80 e 130 µM.

Chagas' disease, caused by Trypanosoma cruzi, is endemic in 15 countries in Latin America. In this work a library of 38 coumarins was prepared in solution phase and evaluated against T. cruzi glycolytic enzyme glyceraldehyde-3-phosphate-dehydrogenase (gGAPDH). The synthetic route was based on the Knoevenagel condensation of different 2-hydroxybenzaldehydes with Meldrum's acid or diethyl malonate, followed by O-alkylation and/or transesterification reactions. Among the prepared coumarins, the best values obtained to inhibit 50% of the enzymatic activity range from 80 to 130 µM.