Antifungal iridoids, triterpenes and phenol compounds from Alibertia myrciifolia Sprunge Ex. Schum

The new iridoid glucoside 10-O-vanilloyl-geniposidic acid has been isolated from the aerial parts of Alibertia myrciifolia along with hydroxyhopanone, 3α,22-dihydroxyhopane, ursolic acid, luteolin-3´,4´-dimethyl ether, caffeic acid and geniposidic acid. The structures of the isolated compounds were determined by means of mass spectrometry and nuclear magnetic resonance spectral analyses. The antifungal activities of the iridoids 10-O-vanilloyl-geniposidic acid and geniposidic acid were evaluated against the phytopathogenic fungi strains Colletotrichum gloeosporioides, Fusarium solani and Aspergillus niger.

Perfil químico de cultivares de feijão (phaseolus vulgaris) pela técnica de high resolution magic angle spinning (HR-MAS)

The application of one-dimensional proton high-resolution magic angle spinning (¹H HR-MAS) NMR combined with a typical advantages of solid and liquid-state NMR techniques was used as input variables for the multivariate statistical analysis. In this paper, different cultivars of beans (Phaseolus vulgaris) developed and in development by Embrapa - Arroz e Feijão were analyzed by ¹H HR-MAS, which have been demonstrated to be a valuable tool in its differentiation according chemical composition and avoid the manipulation of the samples as used in other techniques.

Antibióticos: importância terapêutica e perspectivas para a descoberta e desenvolvimento de novos agentes

There is a continuous need for antibiotics, mainly with new mechanisms of action, since infectious diseases represent the second major cause of death in the world and bacteria resistance levels are high. This review describes the contribution of microbial natural products for the development of the major antibiotic classes, the mechanisms of action of current antibiotics, some modern approaches involving genetic tools for the discovery and development of new antibiotics from microbial products and antibiotics in clinical trials.

Propriedades dinâmicas de fluidos por simulação computacional: métodos híbridos atomístico-contínuo

Computational methods for the calculation of dynamical properties of fluids might consider the system as a continuum or as an assembly of molecules. Molecular dynamics (MD) simulation includes molecular resolution, whereas computational fluid dynamics (CFD) considers the fluid as a continuum. This work provides a review of hybrid methods MD/CFD recently proposed in the literature. Theoretical foundations, basic approaches of computational methods, and dynamical properties typically calculated by MD and CFD are first presented in order to appreciate the similarities and differences between these two methods. Then, methods for coupling MD and CFD, and applications of hybrid simulations MD/CFD, are presented.

Utilização de argilas para purificação de biodiesel

This work describes the results of the purification of methyl biodiesel, obtained by oxidized soybean oil, using different methods. After the ester separation from the glycerin by decanting, the ester was purified each time with distillation, washing with water and adsorption with bauxite, bentonite and attapulgite. The removal of total contamination, unsaponifiable material, concentrations of free glycerin and soap were analyzed in the purified ester phase. The best result of purification was observed with the use of bentonite and bauxite, in the removal of soap and free glycerin respectively.

Retrieval of kinetic rates in reactions with semi batch liquid phase using ill-posed inverse problem theory

A neural network procedure to solve inverse chemical kinetic problems is discussed in this work. Rate constants are calculated from the product concentration of an irreversible consecutive reaction: the hydrogenation of Citral molecule, a process with industrial interest. Simulated and experimental data are considered. Errors in the simulated data, up to 7% in the concentrations, were assumed to investigate the robustness of the inverse procedure. Also, the proposed method is compared with two common methods in nonlinear analysis; the Simplex and Levenberg-Marquardt approaches. In all situations investigated, the neural network approach was numerically stable and robust with respect to deviations in the initial conditions or experimental noises.

Capacidade de oxidação como índice de estabilidade da matéria orgânica de sedimentos de acordo com gradiente fluvial-estuarino do rio Paraíba do Sul

The hummus composition and it redox properties have been used to evaluate the organic matter quality from natural systems. The objectives of this study were the fractionation of the organic matter and the determination of the oxidation capacity of humic acids to evaluate the organic matter quality of sediments from a gradient fluvial-estuarine in the Brazilian Southeast. The carbon/nitrogen and humic acid/fulvic acid relationships of the organic matter and of the oxidation capacity of humic acids were positively correlated and followed the order: estuarine bordered mangroves ≅ fluvial bordered urban center and pasture > estuarine bordered pasture ≅ marine.

Solubilização alcalina de peixes e otimização multivariada para determinação de chumbo e manganês usando espectrometria de absorção atômica com forno de grafite

This paper describes the development of methods for the determination of Pb and Mn in fishes by GF AAS after solubilization with tetramethylamonium hidroxide. The optimization of the operational conditions and the choice of modifier were made using multivariated optimization. Analytical Figures of Merit were adequately to propose. The Limit of Quantification obtained were 150 and 18.5 µg kg-1 to Mn and Pb, respectively. No significant difference was found between the slope values obtained for the aqueous and standard addition calibration curves. The D.P.R. was always lower than 12% and the analysis of the SRM NRCC TORT2 showed 80-120% of recovery.

Characterization of the antibiotic doripenem using physicochemical methods: chromatography, spectrophotometry, spectroscopy and thermal analysis

Doripenem was characterized through physicochemical and spectroscopic techniques, as well as thermal analysis. TLC (Rf = 0.62) and HPLC (rt = 7.4 min) were found to be adequate to identify the drug. UV and infrared spectra showed similar profile between doripenem bulk and standard. The ¹H and 13C NMR analysis revealed chemical shifts that allowed identifying the drug. Thermal analysis demonstrated three steps with mass loss, at 128, 178 and 276 ºC. The work was successfully applied to qualitative analysis of doripenem, showing the reported methods can be used for physicochemical characterization of doripenem

Antioxidant activities of isolated compounds from stems of Mimosa invisa Mart. ex Colla

This work describes the phytochemical study of stems of Mimosa invisa (Mimosaceae) and the evaluation of the antioxidant potential of isolated compounds. Cromatografic techniques were employed to isolate salicifoliol, pinoresinol, quercetin, quercetin-3-O-rhamnopyranosyl, quercetin-3-O-arabinofuranosyl lupeol, β-amyrin, sitosterol, p-hydroxy coumaric acid, 4-hydroxy-3-methoxy benzaldehyde (vanillin), 4-hydroxy-3,5-dimethoxy benzaldehyde, 4-hydroxy-3-methoxy benzoic acid and 4',6,7- trimethoxy flavonol. The latter had been previously described but the spectrometric data shown indicated the structure required review. The antioxidant activity of the compounds was evaluated by the DPPH test and capability of NBT reduction by superoxide radicals. Quercetin glycosides showed lower antioxidant potential than quercetin and, salicifoliol was found to be more active than pinoresinol.

Comparação estrutural entre amostras de materiais tipo hidrotalcita obtidas a partir de diferentes rotas de síntese

Three samples of hydrotalcite-like materials (HTC) were synthesized and their structural characteristics were compared with two HTCs obtained commercially. Thermal analyses, FT-IR, PXRD and textural analyses were used to investigate the structural differences between commercial and synthetic samples. Particularly, the memory effect was observed at temperature higher than 600 ºC. The Rietveld refinements were obtained with expressive accuracy and the statistical parameters of goodness of fit are quite satisfactory. In conclusion, the procedures adopted in synthesis of HTC produced crystalline materials with high surface area materials.

Flavonoids and other bioactive phenolics isolated from Cenostigma macrophyllum (Leguminosae)

This work describes the phytochemical study of stem bark and leaves of Cenostigma macrophyllum Tul. (Leguminosae). Through usual chromatographic techniques were isolated bergenin as the primary compound of the stem bark of and from the leaves gallic acid, methyl gallate, ellagic acid, quercetin, quercetin-3-O-β-D-glucopyranoside, quercetin-3-O-(6"-O-galloyl)-β-D-glucopyranoside (tellimoside), quercetin-3-O-(6"-O-E-p-coumaroyl)-β-D-glucopyranoside (helichrysroside), agathisflavone and vitexin were obtained. The isolates were identified by spectroscopic data analysis, and bergenin showed dose-related antinociception when assessed in acetic acid-induced writhing in mice.

Avaliação das propriedades de compósitos de polipropileno reforçados com casca de aveia

The preparation of oat-reinforced polypropylene nanocomposites with different fiber contents by means of melt-processing was investigated. Composite properties were evaluated by Scanning Electron Microscopy (SEM), Flexural Modulus, Dynamic Mechanical Analysis (DMA), Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA). Findings confirmed that the oat composite properties were affected by fiber type and content. Improvements in mechanical properties were obtained using fiber contents < 20% w.t.

Atividade anticolinesterásica e perfil químico de uma fração cromatográfica ativa do extrato etanólico das flores Bellis perennis L. (Asteraceae)

This work describes the isolation of an active flavonoid fraction and identification of isorhamnetin 3-O-β-D-(6''-acetyl)-galactopyranoside from flowers of B. perennis, and also the evaluation of anticholinesterase (AChE) activity of ethanolic extract from flowers (EEF) and the active fraction. The chemical structure of the flavonoid was defined on the basis of spectroscopic ¹H NMR, IR and UV data. EEF or flavonoid reduces AChE activity in vivo, while flavonoid also reduces AChE activity in vitro, showing a value of 1.49 mM for 50% inhibitory concentration (IC50), suggesting potential use as an insecticide or in the treatment of neurodegenerative diseases such as Alzheimer's disease.

Composição química e atividade anticolinesterásica de uma fração ativa do extrato de folhas de Citrus limon (L.) Burm

This paper describes the chemical composition and acetylcholinesterase inhibition of an active chromatographic fraction of the EtOAc extract of Citrus limon leaves. The composition of the active fraction presented a mixture of two coumarins, 5,8-dimethoxy-psoralen and 5,7- dimethoxycoumarin, identified by ¹H and ¹³C NMR data analysis, including DEPT, COSY, HMBC and HSQC experiments. It was also demonstrated that this mixture presents qualitative and quantitative AChE inhibition. In vitro studies indicated a CE50 value of 340 µg/mL with 95% of confidence. In vivo studies (10 and 25 mg/kg) revealed inhibition of 30.09 and 30.06% of AChE activity in relation to neostigmine, respectively.