Influence of the shoot density of Halodule wrightii Ascherson from rocky and sandy habitats on associated macroalgal communities

This study evaluated the influence of the shoot density of the shoal grass Halodule wrightii on the composition of the associated algal community, in rocky and sandy habitats on the coast of Ceará in northeastern Brazil. The phycological community included 18 species in 10 families, members of Rodophyta (72.2%), Chlorophyta (22.2%) and Phaeophyceae (5.5%). The largest proportion were epilithic (50%), followed by epiphytes on H. wrightii (38.4%), epipsammics (8%), and epiphytes on other algae (4%). Epiphytes on H. wrightii occurred mainly associated with rhizomes, but also tendrils of H. musciformis occurred attached to the leaves. The phycological community varied according to the density of H. wrightii, independently of particular characters of the meadows, although both habitat and other environmental variables seemed to influence the macroalgae composition and diversity. The rocky habitat was more diverse than the sandy habitat, but in the sandy habitat the shoal grass was important for algal settlement in areas where hard substrates were scarce or absent

A study of new antimalarial artemisinins through molecular modeling and multivariate analysis

Artemisinin and 18 derivatives with antimalarial activity against W-2 strains of Plasmodium falciparum were studied through quantum chemistry and multivariate analysis. The geometry optimization of the structures was realized with the Hartree-Fock (HF) theory and 3-21G basis set. Maps of molecular electrostatic potential (MEP) and molecular docking were used to investigate the interaction between the ligands and the receptor (heme). Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) were employed to select the most important descriptors related to activity. A predictive model was generated by the Partial Least Square (PLS) method through 15 molecules and 4 used as an external validation set, which were selected in the training set, the validation parameters of which are Q2 = 0.85 and R2 = 0.86. The model included as molecular parameters, the radial distribution function, RDF060e, the hydration energy, HE, and the distance between the O1 atom from the ligand and the iron atom from heme, d(Fe-O1). Thus, the synthesis of new derivatives may follow the results of the MEP maps and the PLS analysis

Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches

Non-steroidal anti-inflammatory drugs are inhibitors of cyclooxygenase-2 (COX-2) that were developed in order to avoid the side effects of non-selective inhibitors of COX-1. Thus, the present study aims to identify new selective chemical entities for the COX-2 enzyme via molecular modeling approaches. The best pharmacophore model was used to identify compounds within the ZINC database. The molecular properties were determined and selected with Pearson's correlation for the construction of quantitative structure-activity relationship (QSAR) models to predict the biological activities of the compounds obtained with virtual screening. The pharmacokinetic/toxicological profiles of the compounds were determined, as well as the binding modes through molecular docking compared to commercial compounds (rofecoxib and celecoxib). The QSAR analysis showed a fit with R = 0.9617, R2 = 0.9250, standard error of estimate (SEE) = 0.2238, and F = 46.2739, with the tetra-parametric regression model. After the analysis, only three promising inhibitors were selected, Z-964, Z-627, and Z-814, with their predicted pIC50 (-log IC50) values, Z-814 = 7.9484, Z-627 = 9.3458, and Z-964 = 9.5272. All candidates inhibitors complied with Lipinski's rule of five, which predicts a good oral availability and can be used in in vitro and in vivo tests in the zebrafish model in order to confirm the obtained in silico data.Ye

Characterization of Bi4Ge3O12 single crystal by impedance spectroscopy

Bi4Ge3O12 (bismuth germanate - BGO) single crystals were produced by the Czochralski technique and their electrical and dielectric properties were investigated by impedance spectroscopy. The isothermal ac measurements were performed for temperatures from room temperature up to 750 °C, but only the data taken above 500 °C presented a complete semicircle in the complex impedance diagrams. Experimental data were fitted to a parallel RC equivalent circuit, and the electrical conductivity was obtained from the resistivity values. Conductivity values from 5.4 × 10(9) to 4.3 × 10-7 S/cm were found in the temperature range of 500 to 750 °C. This electrical conductivity is thermally activated, following the Arrhenius law with an apparent activation energy of (1.41 ± 0.04) eV. The dielectric properties of BGO single crystal were also studied for the same temperature interval. Permittivity values of 20 ± 2 for frequencies higher than 10³ Hz and a low-frequency dispersion were observed. Both electric and dielectric behavior of BGO are typical of systems in which the conduction mechanism dominates the dielectric response

Manejo de plantas daninhas em milho safrinha em cultivo solteiro ou consorciado à braquiária ruziziensis

O objetivo deste trabalho foi avaliar a eficiência de herbicidas pós-emergentes no controle das plantas daninhas, e sua seletividade à braquiária (Urochloa ruziziensis) e ao milho safrinha, em cultivo solteiro ou consorciado. O experimento foi conduzido em delineamento de blocos ao acaso, com quatro repetições, em esquema fatorial 2x14: cultivo do milho consorciado ou não à braquiária e 14 tratamentos químicos, além de duas testemunhas, com ou sem controle das plantas daninhas. Avaliou-se o controle das plantas daninhas, a fitotoxicidade para braquiária e a produtividade do milho. Todos os tratamentos com herbicidas proporcionaram controle acima de 80% das plantas daninhas aos 14 dias após a aplicação. As misturas formuladas de atrazina+óleo, a 800 e a 1.200 g ha-1, compuseram o grupo de herbicidas mais seletivos a U. ruziziensis; o grupo de menor seletividade consistiu da aplicação isolada de tembotrione ou de suas associações com atrazina. A competição com a braquiária reduziu a produtividade do milho em até 45,3%. Contudo, não houve diferença entre os tratamentos nas parcelas tratadas com herbicidas

Consumo voluntário de forragem de três cultivares de Panicum maximum sob pastejo Voluntary intake of three cultivars of Panicum maximum under grazing

Os objetivos deste trabalho foram estimar o consumo de matéria seca de animais pastejando três cultivares de Panicum maximum e relacioná-lo com ganho de peso, tempo de pastejo (TP) e algumas características químicas e estruturais do pasto. O delineamento experimental foi o de blocos casualizados com três tratamentos e três repetições. O consumo voluntário de matéria seca (CVMS) foi estimado em quatro ocasiões (maio, setembro, novembro e fevereiro). Para calcular a produção de fezes, foi usado o óxido crômico como marcador externo. Foram estimados a digestibilidade in situ da matéria seca e o tempo de pastejo, respectivamente, por intermédio de extrusas e tacógrafos. Foram estimadas as disponibilidades da forragem e dos componentes da planta. Apesar de os CVMS pelos animais terem sido semelhantes entre as cultivares, foram observadas maiores diferenças nos ganhos de peso, para os animais pastejando o capim Tanzânia, seguidos daqueles pastejando os capins Colonião e Tobiatã. Diferenças também foram observadas entre as cultivares para TP, que foi menor para os animais em pasto de Tobiatã, quando comparados aos que pastejaram as outras duas cultivares. O aumento no TP observado durante o período da seca não foi suficiente para impedir queda no consumo de forragem neste período. O CVMS foi correlacionado (r² = 0,77) com ganho diário de peso. As características estruturais das pastagens, disponibilidade de folhas e relação material verde:material morto, influenciaram mais o CVMS, ganho de peso diário e TP que os valores nutritivos das mesmas.<br>The objectives of this work were to estimate the dry matter intake by animals grazing three cultivars of Panicum maximum, and to relate it to live weight gain, grazing time (GT) and some structural and chemical characteristics of the pastures. The experimental design was the randomized block with three treatments and three replicates. The dry matter voluntary intake (DMVI) was estimated in four periods (May, September, November and February). Fecal output was measured using chromic oxide as an external marker. In situ dry matter digestibility was estimated from extrusa obtained by esophageal fistulated animals, and grazing time was registered by vibracorders. Also, forage availability and plant components were estimated. Greater differences in live weight gains were observed, for the animals grazing Tanzânia followed by those grazing Colonião and Tobiatã, although DMVI among cultivars were similar. There were also smaller differences among cultivars for the GT for animals grazing Tobiatã as compared to those grazing the other two cultivars. The increase in the GT observed during the dry season was not enough to avoid a decrease in the forage intake, during the same period. The VIDM was highly correlated (r² = 0.77) with daily live weight gains. Structural characteristics of the forages, leaf availability and green matter:dead matter ratio, affected more the VIDM, daily weight gain and GT than their nutritive value