Experimental NMR and MS study of benzoylguanidines. Investigation of E/Z isomerism

Molecules containing the guanidinic nuclei possess several pharmacological applications, and knowing the preferred isomers of a potential drug is important to understand the way it operates pharmacologically. Benzoylguanidines were synthesized in satisfactory to good yields and characterized by NMR, Electrospray Ionization Mass Spectrometry (ESI-MS) and Fourrier Transform InfraRed Spectroscopy techniques (FTIR). E/Z isomerism of the guanidines was studied and confirmed by NMR analysis in solution (1H-13C Heteronuclear Single Quantum Coherence (HSQC) and Heteronuclear Multiple-Bond Correlation (HMBC), 1H-15N HMBC, 1H- 1H Correlation Spectroscopy (COSY) and Nuclear Overhauser Effect Spectroscopy (NOESY) experiments) at low temperatures. Compounds with p-Cl and p-Br aniline moiety exist mainly as Z isomer with a small proportion of E isomer, whereas compounds with p-NO2 moiety showed a decrease in proportion of isomer Z. The results are important for the application of these molecules as enzymatic inhibitors. Copyright © 2013 John Wiley & Sons, Ltd.

Design of biogas pipeline - Energy and sanitation

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Effect of Na-chloride on the bioleaching of a chalcopyrite concentrate in shake flasks and stirred tank bioreactors

Oxidative dissolution of chalcopyrite at ambient temperatures is generally slow and subject to passivation, posing a major challenge for developing bioleaching applications for this recalcitrant mineral. Chloride is known to enhance the chemical leaching of chalcopyrite, but much of this effect has been demonstrated at elevated temperatures. This study was undertaken to test whether 100-200 mM Na-chloride enhances the chemical and bacterial leaching of chalcopyrite in shake flasks and stirred tank bioreactor conditions at mesophilic temperatures. Acidithiobacillus ferrooxidans, Acidithiobacillus thiooxidans and abiotic controls were employed for the leaching experiments. Addition of Na-chloride to the bioleaching suspension inhibited the formation of secondary phases from chalcopyrite and decreased the Fe(III) precipitation. Neither elemental S nor secondary Cu-sulfides were detected in solid residues by X-ray diffraction. Chalcopyrite leaching was enhanced when the solution contained bacteria, ferrous iron and Na-chloride under low redox potential (< 450 mV) conditions. Scanning electron micrographs and energy-dispersive analysis of X-rays revealed the presence of precipitates that were identified as brushite and jarosites in solid residues. Minor amounts of gypsum may also have been present. Electrochemical analysis of solid residues was in concurrence of the differential effects between chemical controls, chloride ions, and bacteria. Electrochemical impedance spectroscopy was used to characterize interfacial changes on chalcopyrite surface caused by different bioleaching conditions. In abiotic controls, the impedance signal stabilized after 28 days, indicating the lack of changes on mineral surface thereafter, but with more resistive behavior than chalcopyrite itself. For bioleached samples, the signal suggested some capacitive response with time owing to the formation of less conductive precipitates. At Bode-phase angle plots (middle frequency), a new time constant was observed that was associated with the formation of jarosite, possibly also with minor amount or elemental S, although this intermediate could not be verified by XRD. Real impedance vs. frequency plots indicated that the bioleaching continued to modify the chalcopyrite/solution interface even after 42 days. © 2013 The Authors.

Evaluation of the chemical interaction between carbon nanotubes functionalized with TGDDM tetrafunctional resin and hardener DDS

In this work, the chemical interaction between carbon nanotubes (MWCNT) functionalized with acyl chloride (SOCl2) and polymer chain tetrafuncional N,N,N′,N′-tetraglycidyl-4,4′- diaminodiphenylmethane (TGDDM) and hardener 4,4′diaminodiphenyl sulfone (DDS) has been monitored by Fourier transform infrared spectroscopy (FTIR) with a attenuated total reflectance (ATR) coupled. MWCNT were obtained from the pyrolysis of a mixture of camphor and ferrocene into a oven. The functionalization process was done by oxidative treatment in order to incorporate carboxylic group over the walls of MWCNT, before to be used SOCl2. The functionalized carbon nanotubes were evaluated by X-ray photoelectron spectroscopy (XPS), Raman and transmission electron microscopy (TEM). Nanostructured composites were processed by using epoxy resin with MWCNT in varying percentages. In this work it was observed that different percentages of functionalized nanotubes modify the interaction between the composite matrix and curing agent, where can be observed that in specimens with content less than 1 wt% MWCNT the chemical bond occurs preferentially from the opening of the SO double bond of the hardener and when is used MWCNT content higher than 1 wt% there is little chemical interaction with the SO bond of the hardener and most MWCNT binds to amine. © 2013 Elsevier Ltd.

Anthropogenic impacts on mineral weathering: A statistical perspective

Correspondence Analysis was adopted as tool for investigating the statistical structure of hydrochemical and weathering datasets of groundwater samples, with the main purpose of identifying impacts on mineral weathering caused by anthropogenic activities, namely fertilizing of farmlands. The hydrochemical dataset comprised measured concentrations of major inorganic compounds dissolved in groundwater, namely bicarbonate, silica (usually by-products of chemical weathering), chloride, sulphate and nitrate (typically atmospheric plus anthropogenic inputs). The weathering dataset consisted of calculated mass transfers of minerals being dissolved in loess sediments of a region located in SW Hungary (Szigetvár area), namely Na-plagioclase, calcite and dolomite, and of pollution-related concentrations of sodium, magnesium and calcium. A first run of Correspondence Analysis described groundwater composition in the study area as a system of triple influence, where spots of domestic effluents-dominated chemistries are surrounded by areas with agriculture-dominated chemistries, both imprinted over large regions of weathering dominated chemistries. A second run revealed that nitrification of N-fertilizers is promoting mineral weathering by the nitric acid reaction (anthropogenic pathway), in concurrence with the retreating of weathering by carbonic acid (natural pathway). It also indicated that dolomite and calcite are being players in a dedolomitization process driven by dissolution of gypsum fertilizers and nitrification of N-fertilizers. © 2013 Elsevier Ltd.

Flexible magnetic membranes based on bacterial cellulose and its evaluation as electromagnetic interference shielding material

Flexible magnetic membranes with high proportion of magnetite were successfully prepared by previous impregnation of the never dried bacterial cellulose pellicles with ferric chloride followed by reduction with sodium bisulfite and alkaline treatment for magnetite precipitation. Membranes were characterized by Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), vibrating magnetometer, field emission scanning electron microscopy (FEG-SEM) and impedance spectroscopy. Microwave properties of these membranes were investigated in the X-band (8.2 to 12.4 GHz). FEG-SEM micrographs show an effective coverage of the BC nanofibers by Fe 3O4 nanoparticles. Membranes with up to 75% in weight of particles have been prepared after 60 min of reaction. Magnetite nanoparticles in the form of aggregates well adhered to the BC fibers were observed by SEM. The average crystal sizes of the magnetic particles were in the range of 10 ± 1 to 13 ± 1 nm (estimated by XRD). The magnetic particles in the BC pellicles presented superparamagnetic behavior with a saturation magnetization in the range of 60 emu g- 1 and coercive force around 15 Oe. These magnetic pellicles also displayed high electrical permittivity and a potential application as microwave absorber materials. © 2013 Elsevier B.V.

Tratamento térmico na manutenção da qualidade de lichias armazenadas sob refrigeração

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Detecção da citotoxicidade, genotoxicidade e mutagenicidade do inseticida fipronil no organismo teste Allium cepa

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Produção de biofilme por Listeria monocytogenes isoladas de diferentes alimentos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Biossolubilização da calcopirita na presença dos íons cloreto e ácidos orgânicos

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Qualidade da água utilizada para consumo em escolas no município de São Carlos-SP

Pós-graduação em Alimentos e Nutrição - FCFAR

Isolamento e identificação de micobacterias e microrganismos indicadores de contaminação em águas tratadas provenientes do sistema de abstecimento público de Araraquara-SP

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Uso da morfina, xilazina e meloxicam para o controle da dor pós-operatória em cadelas submetidas à ovariosalpingohisterectomia

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Avaliação da presença de vapores no solo em antiga área industrial contaminada por hidrocarbonetos: concentrações medidas e simuladas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Aplicação de cloreto e silicato de potássio em gérbera (Gerbera jamesonii L.) de vaso

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)