204 resultados para Processos moleculares


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Glutathione (GSH) and related enzymes are pivotal for the normal functioning of several important biological processes. In this review we discuss the biosynthesis and the catalytic cycles of glutathione as well as the major GSH-related enzymes. We also present how glutathione and enzymes are involved in cancer and the chromatographic and non-chromatographic methods used to analyze glutathione and/or its derivatives.

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Three technologies were tested (TiO2/UV, H2O2/UV, and TiO2/H2O2/UV) for the degradation and color removal of a 25 mg L-1 mixture of three acid dyes: Blue 9, Red 18, and Yellow 23. A low speed rotating disc reactor (20 rpm) and a H2O2 concentration of 2.5 mmol L-1 were used. The dyes did not significantly undergo photolysis, although they were all degraded by the studied advanced oxidation processes. With the TiO2/H2O2/UV process, a strong synergism was observed (color removal reached 100%). Pseudo first order kinetic constants were estimated for all processes, as well as the respective apparent photonic efficiencies.

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We present a theoretical study of molecular properties in C2H4···2HF, C2H2···2HF and C3H6···2HF trimolecular hydrogen-bonded complexes. From B3LYP/6-311++G(d,p) calculations, the most important structural deformations are related to the C=C (C2H4), C≡C (C2H2), C-C (C3H6) and HF bond lengths. According to the Bader's atoms in molecules and CHELPG calculations, it was identified a tertiary interaction between the fluorine atom of the second hydrofluoric acid molecule and hydrogen atoms of the ethylene and acetylene within the C2H4···2HF and C2H2···2HF complexes, respectively. Additionally, the evaluation of the infrared spectrum characterized the new vibrational modes and bathochromic effect of the HF molecules.

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Acid mine drainage generated from coal mine showed a pH of 3.2, high concentrations of SO4(2-), Al, Fe, Mn, Zn and minor As, Cd, Co, Cr, Cu, Ni and Pb. The major reduction in the concentration occurred for Al, As, Cr, Fe and Pb after the treatment with CaO. The evolution of these acid waters within the tributary stream showed decreasing concentration for all soluble constituents, except Al. This natural attenuation was controlled by pH (6.4 to 10.8) as a result of concurrent mixing with tributary stream and reaction with local bedrock that contains limestone. Aluminum increasing concentration during this evolution seems to be related to an input of Al-enriched waters due to the leaching of silicate minerals in alkaline conditions.

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The concern about aquatic ecosystems and the potential risk of drinking water contamination by pharmaceuticals have stimulated the study of processes for the efficient degradation of these contaminants, since the conventional treatment have been inefficient on that purpose. The advanced oxidation processes (AOPs) appear as viable alternatives due to their efficiency on the degradation of different classes of organic contaminants. This review presents an overview of the main AOP (O3, H2O2/UV, TiO2/UV, Fenton and photo-Fenton) which have been applied to the degradation of different pharmaceuticals. The main results obtained, intermediates identified and toxicity data are presented.

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Thermodynamics of homogeneous processes, which corresponds to the very special situation in thermodynamics of continuous media, is used to discuss the first law. An important part of this work is the exposition of some typical mathematical errors, frequently found in the traditional presentation of thermodynamics. The concepts of state and process functions are discussed, as well as reverse and reversible processes, temporality and its implications on thermodynamics, energy reservoirs and symmetry. Our proposal is to present the first law by using a time dependent viewpoint coherent with mechanics and the foundations of that viewpoint.

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Glycerol is a byproduct of biodiesel production through transesterification of oils and fat. This article discusses the chemical transformation of glycerol in ethers, acetals and esters of high technological applications, especially in the fuel sector. Glycerol hydrogenolysis, dehydration to acrolein and oxidation are discussed as well, to show the potential use of glycerol for production of plastic monomers. Finally, the article shows other transformations, such as syn gas production, epichloridrin and glycerin carbonate.

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This work had as objective verified the term-stability of the Soxhlet modified system with analytical and pharmacothecnical application in extractive processes of Nasturtium officinale. It has proven that the process is thermo-stable. The analysis with analytical have determined 3.606 mg g-1 in chlorogenic acid and 11.813 mg g-1 in rutin (extract 1:20 w/v) and with pharmacotecnical 3.427 mg g-1 in chlorogenic acid and 11.278 mg g-1 in rutin (extract 1:6 w/v). The income of the pharmacothecnical process was inferior to the analytical, suggesting that the pharmacothecnical process would need of at least the double of time in each extraction system.

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Secondary alcohol concentrations in sugar cane spirits from different origins were determined by gas chromatography. A great variation in the concentration of the secondary alcohols was found in these spirits. Of the 33 brands analyzed, 8 of them were found to be out of conformity with the legislation. Sec butanol, for which the maximum allowed concentration level is 100 mg.L-1 in absolute ethanol, was found within a concentration range between 5 mg.L-1, the limit of quantitation (LQ) and 408 mg.L-1 in absolute ethanol. Sugar cane samples from Salinas, MG, were the only ones that exhibited self similarity because of the low concentrations of n-butanol and n-amylic alcohol (< limit of detection LD).

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In this work the potentiality of reductive-oxidative processes based on zero-valent iron was studied aiming the degradation of nitroaromatic compounds and the remediation of residues from the explosive industry. The reductive process was applied as a continuous treatment system, using steel-wool as zero-valent iron source. The process permitted an almost total degradation of nitrobenzene, nitrophenol, nitrotoluene, dinitrotoluene and trinitrotoluene, probably with generation of the respective amine-derivative. The yellow-water residue, containing soluble trinitrotoluene, was notably modified by the reductive process, a fact that permitted a substantial enhancement of its biodegradability. Furthermore, the subsequent photo-Fenton process allowed TOC removal of about 80%.

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In this work the potentiality of photo-Fenton processes were investigated toward the degradation of aromatic hydrocarbons (BTXs) from water contaminated with gasoline. The main results demonstrated that BTXs can be quickly degraded by photo-Fenton process assisted by solar or artificial UV-A radiation, degradation that leads to generation of characteristic phenolic transient species (ie. phenol, hydroquinone and catechol). In the treatment of contaminated water by photo-Fenton processes assisted by solar light, complete BTXs removal was observed in reaction times of about 5 min. Mineralization of about 90% was also observed by applying a multiple H2O2 addition system.

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The present article reviews different aspects of the chemistry of two widely used β-lactam antibiotics Clavulanic Acid and Cephamycin C. The article discusses important details of the biosynthesis of these compounds, their action mechanism and, principally, the methods employed in their isolation and purification, in accordance with the available literature. Despite the large quantity of available articles and patents concerning β-lactam antibiotics, those which describe the isolation and purification of Clavulanic Acid and Cephamycin C are rare. Overall, the intention of this article is to discuss the up-to-date scientific research related to the compounds under review.

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The use of the Fenton's reagent process has been investigated for the remediation of a Brazilian soil contaminated by diesel. Laboratory experiments were conducted in batch experiments. Slurries, consisting of 10 g of diesel-contaminated soil and 30 mL of Fenton's Reagent (0.41 mol L-1 H(2)0(2) and 0.18 mol L-1 FeSO4). The experiments were monitored during 24, 48 and 72 h. The efficiency of the Fenton treatment was dependent on the time of contact between soil and Fenton's reagents and matrix characteristics, probably iron content. Data suggested that no iron addition is needed for the application of Fenton-like treatment for the remediation of diesel-contaminated iron rich soils after 72 h reaction.

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The CBS-4M, CBS-QB3, G2, G2(MP2), G3 and G3(MP2) model chemistry methods have been used to calculate proton and electron affinities for a set of molecular and atomic systems. Agreement with the experimental value for these electronic properties is quite good considering the uncertainty in the experimental data. A comparison among the six theories using statistical analysis (average value, standard deviation and root-mean-square) showed a better performance of CBS-QB3 to obtain these properties.

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The composite membranes prepared via incorporation of 12.5% of molecular sieves 3A, 4A, 5A and 13X into chitosan/poly(vinyl alcohol) (1:1). The composite membranes were immersed in the cross-linker sulfuric acid in order to acquire high proton conductivity for applications in electrolytes in PEMCF and DMF. The influence of the molecular sieves on the structural, optical, thermal, mechanical, morphologic and protonic conductivity properties and water/methanol swelling degree of membranes were investigated.