Resumo em Inglês:

The nature of the solid residue formed in beef tallow biodiesel from two commercial producers in Brazil was determined by comparative analytical techniques, namely, gas chromatography with flame ionization detector (GC-FID) and thermogravimetry (TG). Pure monopalmitin and monostearin were used as reference standards for both methodologies. Analyses were carried out before and after filtration of the solids formed, which allowed the observation that the formation of precipitate reduced the levels of monoglycerides in the beef tallow biodiesel. The chromatographic and thermogravimetric results confirmed the nature of the residue as saturated monoglycerides, predominantly monostearin and monopalmitin.

Resumo em Inglês:

The objective of this work was to synthesize nanosilicas with different degree of hydrophobicity by the sol-gel method, using tetraethyl orthosilicate as a precursor. For this purpose, 3-aminopropyl triethoxysilane (APS) and 1,1,1,3,3,3 - hexamethyldisilazane (HMDS), were added during synthesis as modifiers. A commercial biopolymer (Hexamoll Dinch, BASF) intended for packaging of apples, was added to the new nanosilicas. The materials obtained were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, potentiometric titration, porosity, specific surface area and hydrophobicity/hydrophilicity by wetting test. Colorimetry was used to evaluate change in apple pulp color after contact with the different silicas.

Resumo em Inglês:

A full two-level factorial design was employed to study the influence of PEG molar mass (MM PEG), PEG concentration (C PEG) and phosphate concentration (C PHOSPH) on proteases partition by Lentinus citrinus DPUA 1535 in a PEG/phosphate aqueous two-phase system (ATPS). For all ATPS studied, proteases partitioned for the top phase and the best proteases extraction condition was obtained with MM PEG = 6000 g mol-1, C PEG = 17.5% (w/w) and C PHOSPH = 25% (w/w) with (1.1) purification factor and (151%) activity yield. Findings reported here demonstrate a practical strategy that serves as a first step for proteases purification from crude extract by L. citrinus.

Resumo em Inglês:

Friedelin molecular conformers were obtained by Density Functional Theory (DFT) and by ab initio structure determination from powder X-ray diffraction. Their conformers with the five rings in chair-chair-chair-boat-boat, and with all rings in chair, are energy degenerated in gas-phase according to DFT results. The powder diffraction data reveals that rings A, B and C of friedelin are in chair, and rings D and E in boat-boat, conformation. The high correlation values among powder diffraction data, DFT and reported single-crystal data indicate that the use of conventional X-ray diffractometer can be applied in routine laboratory analysis in the absence of a single-crystal diffractometer.

Resumo em Inglês:

A sequential extraction procedure was applied to wheat and soybean seed samples. The total protein content (determined by two distinct methods: Bradford and bicinchoninic acid-BCA) and distribution of Cu, Fe, Mn and Zn in each fraction was determined. The sequential extraction employed four different solutions: water, 0.5 mol L-1 NaCl, ethanol/water (70:30 v v-1) and 0.5 mol L-1 NaOH. For both samples, the highest concentration of metals was observed in those extracts associated with globulin-type proteins using NaCl solution. Regarding protein content, higher levels were obtained using the BCA method.

Resumo em Inglês:

The enzymatic hydrolysis of steam-pretreated sugarcane bagasse, either delignified or non-delignified, was studied as a function of enzyme loading. Hydrolysis experiments were carried out using five enzyme loadings (2.5 to 20 FPU/g cellulose) and the concentration of solids was 2% for both materials. Alkaline delignification improved cellulose hydrolysis by increasing surface area. For both materials, glucose concentrations increased with enzyme loading. On the other hand, enzyme loadings higher than 15 FPU/g did not result in any increase in the initial rate, since the excess of enzyme adsorbed onto the substrate restricted the diffusion process through the structure.

Resumo em Inglês:

Titanium dioxide porous thin films on the Anatase phase were deposited onto glass slides by the sol-gel method assisted with polyethylene glycol (PEG). The dip-coated films were characterized using scanning electron microscopy (SEM), thermogravimetric analysis (TGA and DTG), UV-visible spectroscopy and X-ray diffraction (XRD). The photocatalytic activity of the films was determined by means of methyl-orange oxidation tests. The resultant PEG-modified films were crack-free and developed a porous structure after calcination at 500 °C. Photo-oxidation tests showed the dependency of catalytic activity of the films on the number of layers (thickness) and porosity, i.e. of the interfacial area.

Resumo em Inglês:

Six limonoids were isolated in hexane extract obtained from the seeds and pericarps of Carapa guianensis. The structures of the limonoids were determined based on the analysis of High Resolution Mass Spectroscopy and Nuclear Magnetic Resonance (uni-and bi-dimensional experiments) data. This is the first report of isolation of the limonoid 6α-acetoxy-7-deacetilgedunin from the seeds of the C. guianensis species. The limonoid 6-hydroxy-methyl angolensate was also described for the first time in this species.

Resumo em Inglês:

In this work, we describe the hydroformylation of methyl oleate catalyzed by several rhodium complexes. Parameters including total pressure, phosphorous/rhodium and CO/H2 ratio, temperature and phosphorous ligands were scanned. Total conversion of the starting double bonds was achieved while maintaining excellent selectivity in aldehydes.

Resumo em Inglês:

A simultaneous solid phase extraction procedure for enrichment of Cu(II), Cd(II) and Mn(II) has been developed. The method is based on adsorption of Cu(II), Cd(II) and Mn(II) ions on polyethylene glycol-silica gel pre-conditioned with acetate buffer (pH 5.5). The adsorbed metal ions are eluted with nitric acid (1 mol L -1) and determined by flame atomic absorption spectrometry. The calibration graph was linear in the range of 2-140 ng mL-1 for Cu(II), 1-40 ng mL-1 for Cd(II) and 4-100 ng mL-1 for Mn(II). The limits of detection were 0.66, 0.33 and 1.20 ng mL-1 for Cu(II), Cd(II) and Mn(II), respectively.

Resumo em Inglês:

The purpose of this study was to develop a rapid, simple and sensitive quantitation method for pseudoephedrine (PSE), paracetamol (PAR) and loratadine (LOR) in plasma and pharmaceuticals using liquid chromatography-tandem mass spectrometry with a monolithic column. Separation was achieved using a gradient composition of methanol-0.1% formic acid at a flow rate of 1.0 mL min-1. Mass spectral transitions were recorded in SRM mode. System validation was evaluated for precision, specificity and linearity. Limit of detection for pseudoephedrine, paracetamol, and loratadine were determined to be 3.14, 1.86 and 1.44 ng mL-1, respectively, allowing easy determination in plasma with % recovery of 93.12 to 101.56%.

Resumo em Inglês:

This study validated a simple and applied method for determining mycotoxins aflatoxin B1, aflatoxin B2, ochratoxin A, zearalenone and deoxynivalenol, in water from the rice production chain. Five solvent combinations for extraction were tested, with quantification performed by TLC/HPTLC and confirmation by LC-MS/MS. Mycotoxins in water from field and rice industries were evaluated. Mycotoxin recovery levels were around 90%. Two samples from rice parboiling waste were contaminated (deoxynivalenol/aflatoxin B1, 110/9 ng mL-1; and deoxynivalenol, 100 ng mL-1). Zearalenone, deoxynivalenol and ochratoxin A (36, 30 and 28%) were carried to soaking water during parboiling.

Resumo em Inglês:

This work reports the development of GDE for electrogeneration of H2O2 and their application in the degradation process of Reactive Blue 19 dye. GDE produced by carbon black with 20% polytetrafluoroethylene generated up to 500 mg L-1 of H2O2 through the electrolysis of acidic medium at -0.8 V vs Ag/AgCl. Reactive Blue 19 dye was degraded most efficiently with H2O2 electrogenerated in the presence of Fe(II) ions, leading to removal of 95% of the original color and 39% of TOC at -0.8 V vs Ag/AgCl.

Resumo em Inglês:

Apparent thermodynamic functions, Gibbs energy, enthalpy and entropy of solution and mixing, for methocarbamol in ethanol + water mixtures, were evaluated from solubility data determined at temperatures from 293.15 K to 313.15 K and from calorimetric values of drug fusion. The drug solubility was greatest in the mixtures with 0.70 or 0.80 mass fraction of ethanol and lowest in neat water across all temperatures studied. Non-linear enthalpy-entropy compensation was found for the dissolution processes. Accordingly, solution enthalpy drives the respective processes in almost all the solvent systems analyzed.

Resumo em Inglês:

A furan-triazole derivative has been explored as an ionophore for preparation of a highly selective Pr(III) membrane sensor. The proposed sensor exhibits a Nernstian response for Pr(III) activity over a wide concentration range with a detection limit of 5.2×10-8 M. Its response is independent of pH of the solution in the range 3.0-8.8 and offers the advantages of fast response time. To investigate the analytical applicability of the sensor, it was applied successfully as an indicator electrode in potentiometric titration of Pr(III) solution and also in the direct and indirect determination of trace Pr(III) ions in some samples.

Resumo em Inglês:

Tebuthiuron (TBH) is a herbicide widely used in different cultures and known for its toxic effects. Electrochemical methods are promising for removing pollutants such as pesticides. This study showed the degradation of TBH using a DSA® anode operated at current densities of 50 to 200 mA cm-2. Removal presented pseudo-first order kinetics while high-pressure liquid chromatography (UV detection) showed two peaks, ascribed to degradation intermediates. The maximum percentage of total organic carbon removed was 12.9%. Ion chromatography revealed that higher concentrations of nitrate and nitrite ions formed with increasing current density.

Resumo em Inglês:

Metals such as copper and zinc are essential for the development and maintenance of numerous enzymatic activities, mitochondrial functions, neurotransmission, and also for memorization and learning. However, disruption in their homeostasis can cause neurodegenerative disorders such as the Alzheimer and Parkinson diseases. In this work, the speciation of copper and zinc in urine samples was carried out. To this end, free and total metal concentrations were determined by square wave anodic stripping voltammetry using a glassy carbon electrode coated with bismuth film. The digestion of the samples was performed in a microwave with the addition of oxidant reagents.

Resumo em Inglês:

The structure of the various asphaltenic subfractions found in crude oil was evaluated. For this purpose, C5 asphaltenes were extracted from an asphaltic residue using n-pentane as the flocculant solvent. The different subfractions were isolated from the C5 asphaltenes by the difference in solubility in different solvents. These were characterized by infrared spectroscopy, nuclear magnetic resonance, X-ray fluorescence, elementary analysis and mass spectrometry. The results confirmed that the subfractions extracted with higher alkanes had greater aromaticity and molar mass. However, small solubility variations between the subfractions were attributed mainly to the variation in the concentrations of cyclical hydrocarbon compounds and metals.

Resumo em Inglês:

Lead and copper concentrations in drinking water increase considerably on going from municipality reservoirs to the households sampled in Ribeirão Preto (SP-Brazil). Flushing of only 3 liters of water reduced metal concentrations by more than 50%. Relatively small changes in water pH rapidly affected corrosion processes in lead pipes, while water hardness appeared to have a long-term effect. This approach aims to encourage University teachers to use its content as a case study in disciplines of Instrumental Analytical Chemistry and consequently increase knowledge about drinking water contamination in locations where no public monitoring of trace metals is in place.

Resumo em Inglês:

It is through the application of an electronic partition approach called Symmetry-Adapted Perturbation Theory (SAPT) that the nature of hydrogen bonds and van der Waals interactions can be unveiled according to the contribution of electrostatic, charge transfer, exchange repulsion, polarization, and dispersion terms. Among these, electrostatic partition governs the formation of the hydrogen bonds, whose energies are arguably high. However, the weakness of the interaction strength is caused by dispersion forces, whose contribution decisively lead to the stabilization of complexes formed via van der Waals interactions.

Resumo em Inglês:

Microalgae are a promising source of raw material for biodiesel production. This review discusses the latest developments related to the application of microalgae biomass for biodiesel production. Characterization of fatty acid of microalgae and comparisons with other sources of raw materials and processes are presented. Furthermore, technological perspectives and approaches for growing microalgae in photobioreactors, microalgal oil extraction techniques, and procedures for synthesizing biodiesel are reviewed.

Resumo em Inglês:

Nuclear magnetic resonance (NMR) is one of the most versatile analytical techniques for chemical, biochemical and medical applications. Despite this great success, NMR is seldom used as a tool in industrial applications. The first application of NMR in flowing samples was published in 1951. However, only in the last ten years Flow NMR has gained momentum and new and potential applications have been proposed. In this review we present the historical evolution of flow or online NMR spectroscopy and imaging, and current developments for use in the automation of industrial processes.

Resumo em Inglês:

Formaldehyde has been classified as a probable human carcinogen. Indoor air quality measurements carried out worldwide in schools indicate that levels may be of concern. This paper provides an overview of emission sources, properties and methods for quantification of formaldehyde. Quantitative information from studies performed in school environments was compiled and a comprehensive picture of the causal relationships between pollutant exposures and children's health given. Mitigation actions to reduce formaldehyde levels and its adverse impacts in school buildings are recommended.

Resumo em Inglês:

Marijuana (Cannabis sativa L.) is the most cultivated, trafficked and consumed illicit drug worldwide. Estimates indicate 10% of individuals experiencing marijuana become daily users, and 20-30% use it weekly. Around 489 natural compounds have been identified in this plant, of which 70 are cannabinoids, responsible for psychic effects. The most relevant cannabinoid is Δ9-THC, recognized as the main chemical substance with psychoactive effects. The aims of this work was to investigate whether other drugs interfere with the colorimetric tests Fast Blue B and Duquenois-Levine, widely used for marijuana screening in forensic chemistry laboratories.

Resumo em Inglês:

The influence of pre-processing of arabica coffee beans on the composition of volatile precursors including sugars, chlorogenic acids, phenolics, proteins, aminoacids, trigonelline and fatty acids was assessed and correlated with volatiles formed during roasting. Reducing sugars and free aminoacids were highest for natural coffees whereas total sugars, chlorogenic acids and trigonelline were highest for washed coffees. The highest correlation was observed for total phenolics and volatile phenolics (R= 0.999). Experimental data were evaluated by Principal Components Analysis and results showed that washed coffees formed a distinct group in relation to semi-washed and natural coffees.

Resumo em Inglês:

This study optimized and validated the liquid-liquid extraction technique with partition at low temperature (LLE-PLT) for identification and quantification of four pesticides (chlorpyrifos, λ-cyhalothrin, permethrin, bifenthrin) in water samples. Analyses were performed by HPLC-UV. The technique was efficient for pesticide recovery with extraction exceeding 86%. Chromatographic response was linear for the four compounds in the 10-45 µg L-1 range, with correlation coefficients greater than 0.99. Limits of detection and quantitation were less than 3.5 µg L-1 and equal to 10 µg L-1, respectively. The proposed method was applied to 29 water samples from the Jaíba Project in northern Minas Gerais.

Resumo em Inglês:

A simple analytical method for extraction and quantification of lutein colorant added to yogurt was developed and validated. The method allowed complete extraction of carotenoids using tetrahydrofuran in vortex, followed by centrifugation, partition to diethyl ether/petroleum ether, and drying. The carotenoids dissolved in ethanol were quantified by UV-Vis spectrophotometry. This method showed linearity in the range tested (1.41-13.42 µg g-1), limits of detection and quantification of 0.42 and 1.28 µg g-1, respectively, low relative standard deviation (3.4%) and recovery ranging from 95 to 103%. The method proved reliable for quantification of lutein added to yogurt.

Resumo em Inglês:

A fast and efficient method has been developed and validated for the determination of fipronil in bovine plasma. Samples were subjected to solid-phase extraction (SPE) followed by reversed phase liquid chromatography (LC) separation, using acetonitrile/water (60:40 v/v) as the mobile phase with a flow rate of 1.0 mL/min and ultraviolet (UV) detection at 210 nm. Ethiprole was used as the internal standard (IS). The method was found to be linear over the range 5-500 ng/mL (r = 0.999). The limit of quantitation (LOQ) was validated at 5 ng/mL. The method was successfully applied to monitor plasma concentrations following subcutaneous administration of fipronil in cattle.

Resumo em Inglês:

An alternative system was tested for the determination of CO2 in air using recyclable materials. The results indicate that the proposed system allows for reliable, accurate, robust and efficient collection, comparable to the standard gravimetric method. Laboratory wastes are easily treated using a filtrate that can be discharged into the sewer and solids that can be reused. The proposed system is a simple and low-cost tool that encompasses important aspects of environmental education, which should be part of the education in chemistry of undergraduate students and technicians.

Resumo em Inglês:

Undergraduate students on the first year of Chemistry Courses are unfamiliar with the representation of acid-base reactions using the ionic equation H+ + OH- → H2O. A chemistry class was proposed about acid-base reactions using theory and experimental evaluation of neutralization heat to discuss the energy involved when water is formed from H+ and OH- ions. The experiment is suggested using different strong acids and strong base pairs. The presentation of the theme within a chemistry class for high school teachers increased the number of individuals that saw the acid-base reaction from this perspective.

Resumo em Inglês:

A combination of the variational principle, expectation value and Quantum Monte Carlo method is used to solve the Schrödinger equation for some simple systems. The results are accurate and the simplicity of this version of the Variational Quantum Monte Carlo method provides a powerful tool to teach alternative procedures and fundamental concepts in quantum chemistry courses. Some numerical procedures are described in order to control accuracy and computational efficiency. The method was applied to the ground state energies and a first attempt to obtain excited states is described.

Resumo em Inglês:

Chemical agents are substances used for their toxic effects on humans, animals and plants. The main objective of chemical defense is to develop systems that reduce these effects while minimizing impact on the operational capacity of military troops. In this work, a report on the development of chemical warfare agents since the First World War and their classification is presented. Special attention is given to neurotoxic agents, the most lethal group of chemical agents known to date.

Resumo em Inglês:

The main objective of this paper is to start and stimulate reflection, discussion and proposing actions that allow Chemistry in Brazil contribute to a prosperous, safer and better future for the nation.