Ativação da ligação c-h no metano por espécies MOm n+ (M = Nb, Fe; m = 0, 1; n = 0, 1, 2): estrutura eletrônica, mecanismo de reação e reatividade

The need for renewal and a more efficient use of energy resources has provided an increased interest in studies of methane activation processes in the gas phase by transition metal oxides. In this respect, the present work is an effort to assess , by means of a computational standpoint, the reactivity of NbOm n+ and FeOm n+ (m = 1, 2, n = 0, 1, 2) oxides in the activation process of the methane C-H bond, which corresponds to the first rate limiting step in the process of converting methane to methanol. These oxides are chosen, primarily, because the iron oxides are the most experimentally studied, and iron ions are more abundant in biological mediums. The main motive for choosing niobium oxides is the abundance of natural reserves of this mineral in Brazil (98%), especially in Minas Gerais. Initially, a thorough investigation was conducted, using different theoretical methods, to analyze the structural and electronic properties of the investigated oxides. Based on these results, the most reliable methodology was selected to investigate the activation process of the methane C-H bond by the series of iron and niobium oxides, considering all possible reaction mechanisms known to activate the C-H bond of alkanes. It is worth noting that, up to this moment and to our knowledge, there are no papers, in literature , investigating and comparing all the mechanisms considered in this work. I n general, the main results obtained show different catalytic tendencies and behaviors throughout the series of monoxides and dioxides of iron and niobium. An important and common result found in the two studies is that the increase in the load on the metal center and the addition of oxygen atoms to the metal, clearly favor the initial thermodynamics of the reaction, i.e., favor the approach of the metal center to methane, distorting its electron cloud and, thereby, decreasing its inertia. Comparing the two sets of oxides, we conclude that the iron oxides are the most efficient in activating the methane C-H bond. Among the iron oxides investigated, FeO + showed better kinetic and thermodynamic performance in the reaction with methane, while from the niobium oxides and ions NbO 2+ and NbO2 2+, showed better catalytic efficiency in the activation of the methane C-H bond.

Compartimentos de K, Ca e Mg em solos e sua relação com o crescimento inicial, fisiologia e produtividade do eucalipto

Forestry has grown in a continuous and accelerated manner in Brazil, constituting a strategic activity for the generation of employment, income and tributes, favoring social and economic development of Brazilian agribusiness. The objectives of this study were: (1) evaluate the contents of K, Ca and Mg in the reserve compartments, non-interchangeable, interchangeable, available and the speed of its release, its correlations and its effects over productivity (annual average increment – AAI) of eucalyptus plantations, in forest sites cultivated in soils of the state of Rio Grande do Sul; (2) evaluate the initial growth, nutrition and physiological aspects of eucalyptus plants, cultivated with and without the addition of mineral sources of potassium (K), calcium (Ca) and magnesium (MG), in soils obtained from forest sites in the state of Rio Grande do Sul. In the first study, contents of K, Ca and Mg were evaluated in sulfuric digestion extract, boiling nitric acid, ammonium chloride, Mehlich-1 (only K), potassium chloride (Ca and Mg), as well as the release speed of these nutrients in the soil. In the second study, growth variables, nutritional aspects, photosynthetic rate (A) and transpiration rate of the plants (E) grown in distinct soils were evaluated under controlled conditions. The contents of K, Ca and Mg varied between compartments and depths in the studied soil classes, with the highest proportions found in the reserve compartment, indicating the importance of this compartment for the supplement of these nutrients at average and long terms. The great majority of K, Ca and Mg compartments presented significant correlations between each other, showing the dependence between them and the importance of evaluating the contents of these nutrients in the different compartments to adapt the nutritional management of the plants to each soil class, and to obtain continuous productions, minimizing the negative effects to the environment. Plants cultivated in soils that present larger reserves, availability and K, Ca and Mg release kinetics, presented similar height (H), stem diameter (SD) and shoot dry mass (SDM), with or without fertilization with K, Ca and Mg. The plants presented higher leaf content and accumulation of K in all soils fertilized with K, Ca and Mg.

Marcha de absorção de nutrientes em dois híbridos de mamona de porte baixo

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Classificação, metodologia de projeto e aplicação de retificadores multipulsos com conexão diferencial de transformador

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Radiação gama, ultravioleta (UV-C) e atmosfera controlada na conservação da qualidade de tomate ‘Débora Plus’ e ‘Pitenza’

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Influência dos defeitos cristalinos nas propriedades dielétricas e não-ôhmicas do 'CA' 'CU IND.3' 'TI IND.4' 'O IND.12'(CCTO)

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

A mulher na visão de Tertuliano, Jerônimo e Agostinho séc. II - V d.c

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Determinação direta de Ca, Mg, Mn e Zn em amostras de leite de búfala da Ilha de Marajó por espectrometria de absorção atômica com chama (FAAS)

ABSTRACT: This work proposes an analytical procedure for direct determination of calcium, magnesium, manganese and zinc in buffalo milk by flame atomic absorption spectrometry (FAAS). Samples were diluted with a solution containing 10% (v/v) of water-soluble tertiary amines (CFA-C) at pH 8. For comparison, buffalo milk samples were digested with HNO₃ and H₂O₂. According to a paired t-test, the results obtained in the determination of Ca, Mg, Mn and Zn in digested samples and in 10% (v/v) CFA-C medium were in agreement at a 95% confidence level. The developed procedure is simple, rapid, decrease the possibility of contamination and can be applied for the routine determination of Ca, Mg, Mn and Zn in buffalo milk samples without any difficulty caused by matrix constituents, such as fat content, and particle size distribution in the milk emulsion

Low shrinkage composite resins: influence on sealing ability in unfavorable C-factor cavities

The present investigation observed the sealing ability of low shrinkage composite resins in large and deep cavities, placed and photocured in one increment. Large, deep cavities (5.0 mm diameter and 2.5 mm deep) surrounded by enamel were prepared in bovine teeth, which were then divided into five groups. Groups 1, 2, 3 and 4: acid conditioning + Adper Single Bond (3M/ESPE, St Paul, MN, USA) and restoration with Aelite LS Posterior (BISCO Inc. Schaumburg, IL, USA) (G1); Filtek Z-350 (3M/ESPE,St Paul, MN, USA) (G2); Filtek Z-350 Flow (3M/ESPE, St Paul, MN, USA) (G3); Premisa (KERR Corporation, Orange, CA, USA) (G4). Group 5: Silorane Adhesive system (3M/ESPE, St Paul, MN, USA) + restoration with Filtek Low Shrinkage Posterior P90 (3M/ESPE, St Paul, MN, USA). After polymerization, the teeth were immersed in 0.5% basic fuchsine solution and immediately washed. Using the Imagetool Software, the extent of dye along the margins was calculated as a percentage of total perimeter. The restorations were then transversally sectioned and the depth of dye penetration was calculated in mm, using the same software. Kruskal-Wallis analysis for all groups showed no statistical differences for extent (p = 0.54) or depth (p = 0.8364) of dye penetration. According to this methodology, the so-called low shrinkage composite resins had the same sealing ability compared to regular and flowable nanocomposite materials.

Associação do perfil de acetilação lenta do gene NAT2 na susceptibilidade ao câncer, na Região Norte do Brasil

Objetivos: O gene N-acetiltransferase 2 (NAT2) é um marcador para o estudo da susceptibilidade interindividual ao desenvolvimento de neoplasias malignas, visto que a enzima NAT2 participa da metabolização de agentes carcinogênicos e os polimorfismos de base única (SNP) do seu gene produzem enzimas com diferentes atividades, levando a acetilação lenta ou rápida de xenobióticos. O objetivo do presente estudo foi verificar uma possível associação entre os SNPS do gene NAT2 e a susceptibilidade ao acometimento de Adenocarcinoma gástrico ou Carcinoma ductal invasivo da mama em pacientes da região norte do Brasil. Material e Métodos: Os cinco polimorfismos de grande importância para a determinação do perfil de metabolização da enzima NAT2 (C282T, T341 C, C481 T, A803G e G857A) foram investigados por sequenciamento direto de 986 pares de bases, amplificados em duas reações de PCR, no total de 133 pacientes com câncer (63 com Câncer Gástrico e 70 com Câncer de Mama) e 89 indivíduos Controles. Para evitar interpretações espúrias decorrentes do subestruturamento populacional, empregamos um painel de 48 marcadores informativos de ancestralidade (IAM). Resultados: Encontramos diferenças estatísticas para a contribuição parental Africana e Européia, quando comparadas entre os grupos com Câncer e Controles, uma contribuição maior do grupo Africano foi detectada no grupo de estudo com câncer e, no grupo controle, foi detectada uma maior contribuição do grupo Europeu (p<0,001). Os genótipos do polimorfismo C282T dominante (TT + CT) apresentaram associação significativa (p<0,001; OR 3,076; Cl 95% 1,664-5,687) para a susceptibilidade as diferentes formas de Câncer investigadas. Foi observada uma associação significante do perfil de acetilação lenta e rápida com a susceptibilidade ao desenvolvimento das neoplasias investigadas (p=0,010; OR 3,054; Cl 95% 1,303-7,159) e (p= 0,041; OR 0,527 Cl 95% 0,280-0,973) evidenciando que indivíduos com o perfil acetilador lento apresentaram um risco aumentado em até três vezes no desenvolvimento de neoplasias quando comparado com os indivíduos controles. Conclusão: O controle genômico da ancestralidade foi efetivamente importante para a presente investigação possibilitando controlar o efeito da ancestralidade na associação do gene NAT2 para susceptibilidade ao câncer. Neste trabalho foi possivel evidenciar a forte influência do perfil de acetilação lenta do gene NAT2 de xenobióticos na susceptibilidade ao Câncer Gástrico e de Mama.

Estudo das propriedades fotoluminescentes de 'CA''ZN IND.2''(OH) IND.6'.2'H IND.2O' obtidos a partir do método hidrometal-microondas

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Influence of the network modifier on the characteristics of MSnO3 (M=Sr and,Ca) thin films synthesized by chemical solution deposition

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Effect of calcium on the structural properties of Ba(1-x)Ca (x) TiO3 particles synthesized by complex polymerization method

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Roots of the Invasive Species Carduus nutans L. and C-acanthoides L. Produce Large Amounts of Aplotaxene, a Possible Allelochemical

The invasive thistle Carduus nutans has been reported to be allelopathic, yet no allelochemicals have been identified from the species. In a search for allelochemicals from C. nutans and the closely related invasive species C. acanthoides, bioassay-guided fractionation of roots and leaves of each species were conducted. Only dichloromethane extracts of the roots of both species contained a phytotoxin (aplotaxene, (Z,Z,Z)-heptadeca-1,8,11,14-tetraene) with sufficient total activity to potentially act as an allelochemical. Aplotaxene made up 0.44 % of the weight of greenhouse-grown C. acanthoides roots (ca. 20 mM in the plant) and was not found in leaves of either species. It inhibited growth of lettuce 50%(I-50) in soil at a concentration of ca. 0.5 mg g(-1) of dry soil (ca. 6.5 mM in soil moisture). These values gave a total activity in soil value (molar concentration in the plant divided by the molarity required for 50 % growth inhibition in soil = 3.08) similar to those of some established allelochemicals. The aplotaxene I-50 for duckweed (Lemna paucicostata) in nutrient solution was less than 0.333 mM, and the compound caused cellular leakage of cucumber cotyledon discs in darkness and light at similar concentrations. Soil in which C. acanthoides had grown contained aplotaxene at a lower concentration than necessary for biological activity in our short-term soil bioassays, but these levels might have activity over longer periods of time and might be an underestimate of concentrations in undisturbed and/or rhizosphere soil.

Experimental evidence of enhanced ferroelectricity in Ca doped BiFeO3

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)