Indicadores químicos de qualidade da matéria orgânica de solo da sub-bacia do Rio das Mortes sob manejos diferenciais de cafeeiro

This work evaluated the chemical quality of organic matter (OM) of a Brazilian Oxisol cultivated with coffee plants, under organic and conventional managements. Total organic C (TOC), light fraction C (LF-C) and C in humic (HA-C) and fulvic (FA-C) acids fractions was measured. Amongst the evaluated indexes, TOC and LF-C discriminated better OM attributes as a function of management. The stratification ratio (TOC5-10cm/TOC10-20cm) did not show differences between the systems studied. The organic system can contribute to the sustainability of coffee plantations in Brazil, because it maintains the chemical attributes of OM closer to the indexes verified under forest conditions.

Determinação simultânea de creatinina e indicadores biológicos de exposição ao tolueno, estireno e xilenos em urina por cromatografia líquida de alta eficiência

A simple liquid chromatographic method for the simultaneous determination of creatinine, hippuric acid, mandelic acid, phenylglyoxylic acid and o, m and p-methylhippuric acids was developed and validated. Sample preparation was only dilution with water (1:10), followed by centrifugation. Analysis was performed in a reversed phase column (Lichrospher RP 8ec), 250 x 4.0 mm, with isocratic elution with phosphate buffer pH 2.3 and acetonitrile (90:10, v/v). The method presents adequate linearity, precision and accuracy and allows the simultaneous determination of the biomarkers of exposure to toluene, xylene and styrene together with creatinine, reducing cost and laboratory time.

Hidrocarbonetos e esterois como indicadores de fontes e destino de matéria orgânica em sedimentos da Baía de Sepetiba, Rio de Janeiro

The inputs of organic matter derived from natural and anthropogenic sources to Sepetiba Bay were investigated by using aliphatic hydrocarbons and sterols in superficial sediments. Concentrations ranged from 0.26 to 2.65 μg g-1, <0.01 to 17.41 μg g-1 and 0.77 and 9.24 μg g-1 for n-alkanes, UCM (unresolved complex mixture) and total sterols, respectively. The selected markers and ratios among individual compounds showed the major contribution of terrestrial sources to the total pool of sedimentary organic matter in the bay, but the accumulation of autochthonous organic matter increased with distance from the shoreline. The input of petroleum hydrocarbons and sewage (coprostanol in the range 0.01 to 0.43 μg g-1) were also detected, especially in the more urbanized regions of the bay, but at lower levels of contamination when compared to estuaries in other Brazilian coastal regions.

Aplicação de redes neurais artificiais na identificação de gasolinas adulteradas comercializadas na região de Londrina - Paraná

The multilayer perceptron network was used to classify the gasoline. The main parameters used in the classification were established by the Ordinance nº 309 of the Agência Nacional do Petróleo, but without informing the network the legal limits of these parameters. The network used had 10 neurons in a single hidden layer, learning rate of 0.04 and 250 training epochs. The application of artificial neural network served classify 100% of the commercialized gas in the region of Londrina-PR and to identify the tampered gasoline even those suspected of tampering.

Lipídios como indicadores de fontes e distribuição de matéria orgânica particulada em um complexo estuarino-lagunar tropical (Mundaú-Manguaba, AL)

Fatty acids, alcohols and sterols were considered as markers of the source and distribution of particulate organic matter during the dry season in the Mundaú-Manguaba estuarine-lagoon system, NE Brazil. Lipid composition showed an overwhelming influence of autochthonous sources of organic matter in all system´s compartments, including the probable occurrence of algal blooms in specific areas. On the other hand, contamination by sewage was restricted to Mundaú lagoon. This scenario differed from known conditions observed in the wet season, illustrating the usefulness of the lipid biomarker approach for the characterization of other complex and dynamic systems in the Brazilian coastal zone.

Esterois como indicadores do acúmulo de esgotos domésticos em sedimentos de um sistema estuarino-lagunar tropical (Mundaú-Manguaba, AL)

The history of sewage contamination in the Mundaú-Manguaba estuarine lagoon system (NE Brazilian coastal zone) was evaluated through the concentration of sterols in sediment cores. The concentration of coprostanol increased towards the surface sediments, with the maximum of 5.65 µg g-1 at 0-2 cm sediment layer in Mundaú. Manguaba exhibited a lower level of contamination. The ratio cholestanol/cholesterol suggested degradation of coprostanol only before the burial of organic matter in the sediment. This feature, together with information of population growth in the watershed, allowed the estimation of a sedimentation rate of 0.90 cm year-1 to the Mundaú lagoon.

Determinação de constituintes químicos em madeira de eucalipto por Pi-CG/EM e calibração multivariada: comparação entre redes neurais artificiais e máquinas de vetor suporte

Multivariate models were developed using Artificial Neural Network (ANN) and Least Square - Support Vector Machines (LS-SVM) for estimating lignin siringyl/guaiacyl ratio and the contents of cellulose, hemicelluloses and lignin in eucalyptus wood by pyrolysis associated to gaseous chromatography and mass spectrometry (Py-GC/MS). The results obtained by two calibration methods were in agreement with those of reference methods. However a comparison indicated that the LS-SVM model presented better predictive capacity for the cellulose and lignin contents, while the ANN model presented was more adequate for estimating the hemicelluloses content and lignin siringyl/guaiacyl ratio.

Fontes e distribuição de matéria orgânica sedimentar no complexo estuarino-lagunar de Mundaú-Manguaba/AL, utilizando esterois e alcoóis como indicadores

The origin of the sedimentary organic matter in the Mundaú-Manguaba estuarine system was evaluated through the distribution and composition of sterols, alcohols and ancillary data. The muddy sediments of the lagoons are enriched in organic matter, derived from a mixture of autochthonous and allochthonous inputs. Mundaú exhibited moderate contamination by sewage, with coprostanol concentration as high as 4.4 µg g-1. The channels are characterized by sand and organic matter-poor sediments. The sediments from some rivers in the drainage basin accumulated organic matter derived only from terrestrial vegetation. Stanol/sterol ratios evidenced the preferential diagenesis of the autochthonous fraction of organic matter.

Uso de redes neurais recorrentes na determinação das constantes de acidez para a 7-epiclusianona em misturas etanol-água

This work propose a recursive neural network to solve inverse equilibrium problem. The acidity constants of 7-epiclusianone in ethanol-water binary mixtures were determined from multiwavelength spectrophotmetric data. A linear relationship between acidity constants and the %w/v of ethanol in the solvent mixture was observed. The proposed method efficiency is compared with the Simplex method, commonly used in nonlinear optimization techniques. The neural network method is simple, numerically stable and has a broad range of applicability.

Redes de colaboração científica na área de química no Brasil: um estudo baseado nas coautorias dos artigos da revista Química Nova

In this paper we built three co-authorship networks displaying the acquaintances between countries, universities and authors that have published papers in Quimica Nova from 1995 to 2008. Our research was conducted applying a bibliometric approach to 1782 papers and over 4200 authors. Centrality measures were used and the most significant actors of each network were pointed out. The results using the centrality metrics and the network structures indicated that Quimica Nova resembles a typical scientific community.

Redes metalorgânicas e suas aplicações em catálise

Metal-organic frameworks (MOFs) form a new class of materials with well-defined yet tunable properties. These are crystalline, highly porous and exhibit strong metal-ligand interactions. Importantly, their physical and chemical properties, including pore size, pore structure, acidity, and magnetic and optical characteristics, can be tailored by choosing the appropriate ligands and metal precursors. Here we review the key aspects of synthesis and characterization of MOFs, focusing on lanthanide-based and vanadium-based materials. We also outline some of their applications in catalysis and materials science.

Terpanos pentacíclicos como indicadores de heterogeneidades composicionais em reservatório de petróleo biodegradado

Reservoir geochemistry has been effectively used to evaluate compositional heterogeneity in petroleum reservoirs by employing oil fingerprinting technique to assess reservoir continuity, primarily in paraffin oil accumulations. In-reservoir biodegradation has resulted in vast deposits of heavy oils globally; therefore, the application of reservoir geochemistry to such accumulations becomes necessary. We recommend the use of pentacyclic terpanes instead of lower molecular compounds, which are less resistant to biodegradation. Using oil fingerprinting technique in this novel way enabled the differentiation of oil composition among sedimentary facies of tar sands (Pirambóia Formation, Paraná Basin).

REDUÇÃO DE VARIÁVEIS DE ENTRADA DE REDES NEURAIS ARTIFICIAIS A PARTIR DE DADOS DE ANÁLISE DE COMPONENTES PRINCIPAIS NA MODELAGEM DE OXIGÊNIO DISSOLVIDO

The objective of this work is to demonstrate the efficient utilization of the Principal Components Analysis (PCA) as a method to pre-process the original multivariate data, that is rewrite in a new matrix with principal components sorted by it's accumulated variance. The Artificial Neural Network (ANN) with backpropagation algorithm is trained, using this pre-processed data set derived from the PCA method, representing 90.02% of accumulated variance of the original data, as input. The training goal is modeling Dissolved Oxygen using information of other physical and chemical parameters. The water samples used in the experiments are gathered from the Paraíba do Sul River in São Paulo State, Brazil. The smallest Mean Square Errors (MSE) is used to compare the results of the different architectures and choose the best. The utilization of this method allowed the reduction of more than 20% of the input data, which contributed directly for the shorting time and computational effort in the ANN training.

Indicadores da escolha de pediatria por graduandos da universidade de Brasília: estudo longitudinal em série histórica

Os autores analisaram a escolha de residência médica em Pediatria dentre 877 egressos do curso de Medicina da Universidade de Brasília, formados no período 1994-2007. Os dados abrangeram descritores demográficos e de aprendizagem, preferência inicial por carreira, monitoria, rendimento acadêmico, estágio seletivo no internato e inscrição para residência médica. Efetuaram-se análises de contingência e de regressão logística agrupando-se os egressos por escolha de Pediatria ou não. Do total, 9,7% escolheram Pediatria, dentre os quais 44,7% mostraram atração inicial e 45,9% expressaram interesse pela área já na fase clínica. No período 2002-2007, houve declínio significante da escolha, em conexão com menor procura por monitoria e estágio seletivo na área, mas sem tendência temporal na atração inicial. A regressão logística identificou cinco fatores preditivos, nesta ordem decrescente de magnitude de efeito na escolha: estágio seletivo, rendimento global, estilo de aprendizagem reflexivo, ordem de preferência inicial e época da graduação. Os efeitos independentes de sexo e monitoria não foram significantes. Concluindo, os fatores preditivos da escolha de Pediatria incluíram indicadores pessoais e curriculares em vertentes distintas de interesse e influência, num quadro de queda recente da opção pela área.

Construção de indicadores qualitativos para avaliação de mudanças

Apresenta-se uma reflexão teórico-metodológica focada na construção de indicadores qualitativos, voltados principalmente para a avaliação de mudanças no campo educacional. Foi escrito para subsidiar o processo de autoavaliação de um conjunto de escolas médicas que desenvolvem um programa de transformação de seus métodos tradicionais para outros fundamentados na filosofia e na prática de aprendizagem ativa. Nele são discutidos e problematizados: o conceito de indicador; a produção de indicadores para pesquisa avaliativa e a construção de indicadores qualitativos. Esses últimos são tratados sob duas formas mais frequentes: dentro da lógica quantitativa e da lógica qualitativa. Indicadores qualitativos a partir da visão quantitativa da realidade são construídos principalmente por meio de escalas. Dentro da ótica qualitativa, são elaborados a partir das representações e práticas dos sujeitos envolvidos na investigação. Enfatizando a necessidade de produção de indicadores de mudança que levem em conta estruturas, processos, relações e a contribuição da subjetividade, conclui-se que a validade interna desses indicadores pode ser alcançada quando as categorias empregadas em sua construção são fundamentadas teórica e contextualmente e possuem significados mútuos e partilhados entre os participantes.