377 resultados para Acelerador de elétrons


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O objetivo deste trabalho foi avaliar a eficiência fotossintética, através da taxa de transporte de elétrons, de seis espécies de plantas daninhas e três cultivares de cana-de-açúcar após aplicação do herbicida diuron em pós-emergência inicial. Os cultivares utilizados (PO8862, SP80-3280 e RB83-5486) foram cortados em gemas e plantados em vasos com capacidade de 12 litros. A semeadura das seis espécies de plantas daninhas - Brachiaria decumbens, Digitaria horizontalis, Panicum maximum, Ipomoea grandifolia, Ipomoea hederifolia e Merremia cissoides - foi realizada para obter 25 plantas por vaso. A aplicação do herbicida diuron em pós-emergência inicial das plantas daninhas e dos cultivares de cana-de-açúcar foi realizada na dose de 3,0 kg ha-1, com adição de 0,2% de surfatante. As avaliações da taxa de transporte de elétrons no fotossistema (ETR) das plantas após a aplicação foram realizadas com auxílio de um fluorômetro portátil. Para as espécies de plantas daninhas, a ETR foi avaliada após intervalos de 2, 4, 24, 48, 72, 96 e 144 horas após a aplicação. Quanto aos cultivares de cana-de-açúcar, os intervalos avaliados foram de 2, 24, 48, 72, 120, 168 e 240 horas após a aplicação. de maneira geral, as reduções dos valores da ETR indicaram o nível de sensibilidade dos diferentes cultivares de cana-de-açúcar e das diferentes plantas daninhas ao diuron, e a intoxicação foi detectada antes ou mesmo sem a presença dos sintomas. A classificação da sensibilidade dos cultivares de cana-de-açúcar foi em ordem decrescente: PO-8862, SP80-3280 e RB83-5486; para as plantas daninhas, as espécies mais sensíveis foram M. cissoides, I. grandifolia e I. hederifolia, seguidas das gramíneas D. horizontalis, P. maximum e B. decumbens.

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O objetivo deste trabalho foi avaliar a intoxicação de planta daninha e cultivares de cana-de-açúcar ao amicarbazone. Para isso, utilizou-se Ipomoea grandifolia como planta daninha representante e os cultivares de cana-de-açúcar PO8862, SP80 3280 e RB83 5486, caracterizados como sensível, intermediário e tolerante aos herbicidas, respectivamente. Foi verificado o consumo de água e quantificada a concentração do amicarbazone em seiva de xilema dos três cultivares de cana-de-açúcar e de I. grandifolia por meio da bomba de Schollander e da cromatografia e espectrometria de massas (LC-MS). A intoxicação das plantas foi verificada através de leituras da fluorescência, com auxílio do fluorômetro portátil, que permitiu a correlação da taxa de transporte de elétrons (ETR) com a concentração de amicarbazone absorvido pelos cultivares de cana-de-açúcar e por I. grandifolia. Verificou-se, através do experimento, que a redução dos valores da ETR pode ser utilizada para indicar o nível de intoxicação de I. grandifolia e de plantas de cana-de-açúcar ao amicarbazone. I. grandifolia destacou-se em relação à cana-de-açúcar pela maior sensibilidade ao amicarbazone. A suscetibilidade diferencial dos cultivares de cana-de-açúcar PO8862, SP80 3280 e RB83 5486 pode ser justificada, possivelmente, pela absorção diferencial do amicarbazone entre os cultivares.

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A análise da fluorescência da clorofila vem sendo largamente utilizada no entendimento dos mecanismos da fotossíntese propriamente dito, bem como na avaliação da capacidade fotossintética alterada com a aplicação de herbicidas. O consumo de água pelas plantas é uma maneira também de avaliar a atuação dos herbicidas nas plantas daninhas. O objetivo deste trabalho foi avaliar a fluorescência através da taxa de transporte de elétrons, consumo de água e fitointoxicação de Brachiaria decumbens após aplicação de quatro herbicidas de diferentes mecanismos de ação. Aos 30 dias após a semeadura de B. decumbens, as plantas foram arrancadas dos tubetes e preparadas para os tratamentos. Elas tiveram o sistema radicular colocado em tubos falcon preenchidos com água, e a superfície dos falcon foi isolada com papel-alumínio, para evitar evaporação do sistema. Os herbicidas aplicados foram: glyphosate, haloxyfop-methyl, diuron e amicarbazone. A aplicação foi feita com um pulverizador estacionário instalado em laboratório; após a aplicação dos tratamentos, as plantas foram mantidas em casa de vegetação. Foi avaliada a taxa de transporte de elétrons (ETR), o consumo de água e a fitointoxicação das plantas em vários períodos após o início do experimento. Os dados de ETR e fitointoxicação foram expressos em porcentagem da testemunha e submetidos à análise de variância e à comparação das médias. Para o consumo de água, os dados foram acumulados e ajustados por modelos de regressão. Assim, pode-se dizer que as plantas de B. decumbens tiveram respostas diferentes aos herbicidas aplicados, e o consumo de água das plantas está relacionado diretamente com o transporte de elétrons. A metodologia fundamentada no fluorômetro mostrou-se adequada para verificar a intoxicação antecipada em B. de cumbens submetidas ao amicarbazone e diuron antes mesmo da verificação visual de intoxicação.

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Esta pesquisa teve como objetivo avaliar a velocidade e intensidade de ação do hexazinone isolado e em mistura com outros inibidores do fotossistema II, através da eficiência fotossintética de Panicum maximum em pós-emergência. O ensaio foi constituído de seis tratamentos: hexazinone (250 g ha-1), tebuthiuron (1,0 kg ha-1), hexazinone + tebuthiuron (125 g ha-1 + 0,5 kg ha-1), diuron (2.400 g ha-1), hexazinone + diuron (125 + 1.200 g ha-1), metribuzin (1.440 g ha-1), hexazinone + metribuzin (125 + 720 g ha-1) e uma testemunha. O experimento foi instalado em delineamento inteiramente casualizado, com quatro repetições. Após a aplicação dos tratamentos, as plantas foram transportadas para casa de vegetação sob condições controladas de temperatura e umidade, onde ficaram durante o período experimental, sendo realizadas as seguintes avaliações: taxa de transporte de elétrons e análise visual de intoxicação. A avaliação com o fluorômetro foi realizada nos intervalos de 1, 2, 6, 24, 48, 72, 120 e 168 horas após a aplicação, e as avaliações visuais, aos três e sete dias após a aplicação. Os resultados demonstraram diferença nos tratamentos, enfatizando a aplicação do diuron, que reduziu lentamente o transporte de elétrons comparado com os outros herbicidas e, em mistura com hexazinone, apresentou efeito sinérgico. Verificou-se com o uso do fluorômetro a intoxicação antecipada em plantas de P. maximum após a aplicação de herbicidas inibidores do fotossistema II de forma isolada e em mistura.

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Supported catalysts of CuCl2 on sílica were used in the methane oxychlorination reaction. The materials were synthesized by the ion exchange technique in a basic solution, using a copper-ammonia complex with 3 and 6 % of nominal copper loading. The materials where characterized by thermogravimetry (TG), X-ray Fluorescence Spectroscopy (XRF), Temperature Programmed Reduction (TPR), Scanning Electron Microscopy with X-ray microanalysis (SEM/EDS), BET specific area and pore distribution. The characterization confirms the presence of copper on the support surface, concluding that the ion exchange technique was adequate in the catalyst synthesis. For the reaction test, an oxychlorination bench scale unit was employed. The tests were carried at 673 and 773 K. The results showed the influence of temperature and catalyst copper content on the oxychlorination of methane reaction

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O Sistema de Posicionamento Global (GPS) transmite seus sinais em duas freqüências, o que permite eliminar matematicamente os efeitos de primeira ordem da ionosfera através da combinação linear ionosphere free. Porém, restam os efeitos de segunda e terceira ordem, os quais podem provocar erros da ordem de centímetros nas medidas GPS. Esses efeitos, geralmente, são negligenciados no processamento dos dados GPS. Os efeitos ionosféricos de primeira, segunda e terceira ordem são diretamente proporcionais ao TEC presente na ionosfera, porém, no caso dos efeitos de segunda e terceira ordem, comparecem também o campo magnético da Terra e a máxima densidade de elétrons, respectivamente. Nesse artigo, os efeitos de segunda e terceira ordem da ionosfera são investigados, sendo que foram levados em consideração no processamento de dados GPS na região brasileira para fins de posicionamento. Serão apresentados os modelos matemáticos associados a esses efeitos, as transformações envolvendo o campo magnético da Terra e a utilização do TEC advindo dos Mapas Globais da Ionosfera ou calculados a partir das observações GPS de pseudodistância. O processamento dos dados GPS foi realizado considerando o método relativo estático e cinemático e o posicionamento por ponto preciso (PPP). Os efeitos de segunda e terceira ordem foram analisados considerando períodos de alta e baixa atividade ionosférica. Os resultados mostraram que a não consideração desses efeitos no posicionamento por ponto preciso e no posicionamento relativo para linhas de base longas pode introduzir variações da ordem de poucos milímetros nas coordenadas das estações, além de variações diurnas em altitude da ordem de centímetros.

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Systems whose spectra are fractals or multifractals have received a lot of attention in recent years. The complete understanding of the behavior of many physical properties of these systems is still far from being complete because of the complexity of such systems. Thus, new applications and new methods of study of their spectra have been proposed and consequently a light has been thrown on their properties, enabling a better understanding of these systems. We present in this work initially the basic and necessary theoretical framework regarding the calculation of energy spectrum of elementary excitations in some systems, especially in quasiperiodic ones. Later we show, by using the Schr¨odinger equation in tight-binding approximation, the results for the specific heat of electrons within the statistical mechanics of Boltzmann-Gibbs for one-dimensional quasiperiodic systems, growth by following the Fibonacci and Double Period rules. Structures of this type have already been exploited enough, however the use of non-extensive statistical mechanics proposed by Constantino Tsallis is well suited to systems that have a fractal profile, and therefore our main objective was to apply it to the calculation of thermodynamical quantities, by extending a little more the understanding of the properties of these systems. Accordingly, we calculate, analytical and numerically, the generalized specific heat of electrons in one-dimensional quasiperiodic systems (quasicrystals) generated by the Fibonacci and Double Period sequences. The electronic spectra were obtained by solving the Schr¨odinger equation in the tight-binding approach. Numerical results are presented for the two types of systems with different values of the parameter of nonextensivity q

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We have used ab initio calculations to investigate the electronic structure of SiGe based nanocrystals (NC s). This work is divided in three parts. In the first one, we focus the excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals. We also estimate the changes induced by the effect of strain the electronic structure. We show that Ge/Si (Si/Ge) NC s exhibits type II confinement in the conduction (valence) band. The estimated potential barriers for electrons and holes are 0.16 eV (0.34 eV) and 0.64 eV (0.62 eV) for Si/Ge (Ge/Si) NC s. In contradiction to the expected long recombination lifetimes in type II systems, we found that the recombination lifetime of Ge/Si NC s (τR = 13.39μs) is more than one order of magnitude faster than in Si/Ge NC s (τR = 191.84μs). In the second part, we investigate alloyed Si1−xGex NC s in which Ge atoms are randomly positioned. We show that the optical gaps and electron-hole binding energies decrease linearly with x, while the exciton exchange energy increases with x due to the increase of the spatial extent of the electron and hole wave functions. This also increases the electron-hole wave functions overlap, leading to recombination lifetimes that are very sensitive to the Ge content. Finally, we investigate the radiative transitions in Pand B-doped Si nanocrystals. Our NC sizes range between 1.4 and 1.8 nm of diameters. Using a three-levels model, we show that the radiative lifetimes and oscillator strengths of the transitions between the conduction and the impurity bands, as well as the transitions between the impurity and the valence bands are strongly affected by the impurity position. On the other hand, the direct conduction-to-valence band decay is practically unchanged due to the presence of the impurity

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In the first part of this work our concern was to investigate the thermal effects in organic crystals using the theory of the polarons. To analyse such effect, we used the Fröhlich s Hamiltonian, that describes the dynamics of the polarons, using a treatment based on the quantum mechanics, to elucidate the electron-phonon interaction. Many are the forms to analyzing the polaronic phenomenon. However, the measure of the dielectric function can supply important information about the small polarons hopping process. Besides, the dielectric function measures the answer to an applied external electric field, and it is an important tool for the understanding of the many-body effects in the normal state of a polaronic system. We calculate the dielectric function and its dependence on temperature using the Hartree-Fock decoupling method. The dieletric function s dependence on the temperature is depicted by through a 3D graph. We also analyzed the so called Arrhenius resistivity, as a functionof the temperature, which is an important tool to characterize the conductivity of an organic molecule. In the second part we analyzed two perovskita type crystalline oxides, namely the cadmium silicate triclinic (CdSiO3) and the calcium plumbate orthorhombic (CaPbO3), respectively. These materials are normally denominated ABO3 and they have been especially investigated for displaying ferroelectric, piezoelectric, dielectrics, semiconductors and superconductors properties. We found our results through ab initio method within the functional density theory (DFT) in the GGA-PBE and LDA-CAPZ approximations. After the geometry optimization for the two structure using the in two approximations, we found the structure parameters and compared them with the experimental data. We still determined further the angles of connection for the two analyzed cases. Soon after the convergence of the energy, we determined their band structures, fundamental information to characterize the nature of the material, as well as their dielectrics functions, optical absorption, partial density of states and effective masses of electrons and holes

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The physical properties and the excitations spectrum in oxides and semiconductors materials are presented in this work, whose the first part presents a study on the confinement of optical phonons in artificial systems based on III-V nitrides, grown in periodic and quasiperiodic forms. The second part of this work describes the Ab initio calculations which were carried out to obtain the optoeletronic properties of Calcium Oxide (CaO) and Calcium Carbonate (CaCO3) crystals. For periodic and quasi-periodic superlattices, we present some dynamical properties related to confined optical phonons (bulk and surface), obtained through simple theories, such as the dielectric continuous model, and using techniques such as the transfer-matrix method. The localization character of confined optical phonon modes, the magnitude of the bands in the spectrum and the power laws of these structures are presented as functions of the generation number of sequence. The ab initio calculations have been carried out using the CASTEP software (Cambridge Total Sequential Energy Package), and they were based on ultrasoft-like pseudopotentials and Density Functional Theory (DFT). Two di®erent geometry optimizations have been e®ectuated for CaO crystals and CaCO3 polymorphs, according to LDA (local density approximation) and GGA (generalized gradient approximation) approaches, determining several properties, e. g. lattice parameters, bond length, electrons density, energy band structures, electrons density of states, e®ective masses and optical properties, such as dielectric constant, absorption, re°ectivity, conductivity and refractive index. Those results were employed to investigate the confinement of excitons in spherical Si@CaCO3 and CaCO3@SiO2 quantum dots and in calcium carbonate nanoparticles, and were also employed in investigations of the photoluminescence spectra of CaCO3 crystal

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Bacteria trom Shewanella and Geobacter ganera are the most studied iron-reducing microorganisms particularly due to their electron transport systems and contribution to some industrial and environmental problems, including steel corrosion, bioenergy and bioremediation of petroleum-impacted sites. The present study was focused in two ways: the first is an in silico comparative ecogenomic study of Shewanella spp. with sequenced genomes, and the second is an experimental metagenomic work to detect iron-reducing Shewanella through PCR-DGGE of a metabolic gene. The in silico study resulted in positive correIation between copy number of 16S rDNA and genome size in Shewanella spp., with clusters of rrn near lhe origin of replication. This way, the genus is inferred as opportunist. There are no compact genomes and their sequences length varied, ranging from 4306142 nt in S. amazonensis SB2B to 5935403 nt in S. woodyi ATCC 51908, without correIation to temperature range characteristic of each specie. Intragenomic 16S rDNA sequences possess little divergence, but reasonable to resuIt in different phyIogenetic trees, depending on the sequence that is chosen to compare. For moIecuIar detection of iron-reducing Shewanella, it is proposed the mtrB gene as new biomarker. because it codes to a fundamental protein at Fe (III)-reduction. The specific primers were designed and evaluated in silico and resulted in a fragment of 360 pb. In the second study, these primers were tested in a genomic sample from S. oneidensis MR-1, amplifying the expected region. After this successfuI resuIt, the primer set was used as a tool to assess the iron-reducing communities of ShewaneIla genus under an environmental stress, i.e. crude oil contamination in mangrove sediment in Rio Grande do Norte State (Brazil). The primers presented high specificity and the reactions performed resulted in one single band of ampIification in the metagenomic samples. The fingerprinting obtained at DGGE reveaIed temporal variation of Shewanella spp. in analyzed samples. The resuIts presented show the detection of a biotechnological important group of microorganisms, the iron-reducing Shewanella spp. using a metabolic gane as target. It is concluded there are eight or more 16S rDNA sequences in Shewanella genus, with little divergence among them that affects the phylogeny; the pair of primers designed to ampIify mtrB sequences is a viable alternative to detect iron-reducing ShewanelIa in metagenomic approaches; such bacteria are present in the mangrove sediment anaIyzed, with temporal variations in the samples. This is the first experimental study that screened the iron-reducing Shewanella genus in a metagenomic experiment of mangrove sediments subjected to oil contamination through a key metabolic gene

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TiTanate NanoTubes (TTNT) were synthesized by hydrothermal alkali treatment of TiO2 anatase followed by repeated washings with distinct degrees of proton exchange. TTNT samples with different sodium contents were characterized, as synthesized and after heattreatment (200-800ºC), by X-ray diffraction, scanning and transmission electron microscopy, electron diffraction, thermal analysis, nitrogen adsorption and spectroscopic techniques like FTIR and UV-Vis diffuse reflectance. It was demonstrated that TTNTs consist of trititanate structure with general formula NaxH2−xTi3O7·nH2O, retaining interlayer water in its multiwalled structure. The removal of sodium reduces the amount of water and contracts the interlayer space leading, combined with other factors, to increased specific surface area and mesopore volume. TTNTs are mesoporous materials with two main contributions: pores smaller than 10 nm due to the inner volume of nanotubes and larger pores within 5-60 nm attributed to the interparticles space. Chemical composition and crystal structure of TTNTs do not depend on the average crystal size of the precursor TiO2-anatase, but this parameter affects significantly the morphology and textural properties of the nanostructured product. Such dependence has been rationalized using a dissolution-recrystallization mechanism, which takes into account the dissolution rate of the starting anatase and its influence on the relative rates of growth and curving of intermediate nanosheets. The thermal stability of TTNT is defined by the sodium content and in a lower extent by the crystallinity of the starting anatase. It has been demonstrated that after losing interlayer water within the range 100-200ºC, TTNT transforms, at least partially, into an intermediate hexatitanate NaxH2−xTi6O13 still retaining the nanotubular morphology. Further thermal transformation of the nanostructured tri- and hexatitanates occurs at higher or lower temperature and follows different routes depending on the sodium content in the structure. At high sodium load (water washed samples) they sinter and grow towards bigger crystals of Na2Ti3O7 and Na2Ti6O13 in the form of rods and ribbons. In contrast, protonated TTNTs evolve to nanotubes of TiO2(B), which easily convert to anatase nanorods above 400ºC. Besides hydroxyls and Lewis acidity typical of titanium oxides, TTNTs show a small contribution of protonic acidity capable of coordinating with pyridine at 150ºC, which is lost after calcination and conversion into anatase. The isoeletric point of TTNTs was measured within the range 2.5-4.0, indicating behavior of a weak acid. Despite displaying semiconductor characteristics exhibiting typical absorption in the UV-Vis spectrum with estimated bandgap energy slightly higher than that of its TiO2 precursor, TTNTs showed very low performance in the photocatalytic degradation of cationic and anionic dyes. It was concluded that the basic reason resides in its layered titanate structure, which in comparison with the TiO2 form would be more prone to the so undesired electron-hole pair recombination, thus inhibiting the photooxidation reactions. After calcination of the protonated TTNT into anatase nanorods, the photocatalytic activity improved but not to the same level as that exhibited by its precursor anatase

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This work is a study of coordination compounds by quantum theory of atoms in molecules (QTAIM), based on the topological analysis of the electron density of molecular systems, both theoretically and experimentally obtained. The coordination chemistry topics which were studied are the chelate effect, bent titanocene and chemical bond in coordination complexes. The chelate effect was investigated according to topological and thermodynamic parameters. The exchange of monodentate ligands on polydentate ligands from same transition metal increases the stability of the complex both from entropy and enthalpy contributions. In some cases, the latter had a higher contribution to the stability of the complex in comparison with entropy. This enthalpic contribution is explained according to topological analysis of the M-ligand bonds where polidentate complex had higher values of electron density of bond critical point, Laplacian of electron density of bond critical point and delocalization index (number of shared electrons between two atoms). In the second chapter, was studied bent titanocenes with bulky cyclopentadienyl derivative π-ligand. The topological study showed the presence of secondary interactions between the atoms of π-ligands or between atoms of π-ligand and -ligand. It was found that, in the case of titanocenes with small difference in point group symmetry and with bulky ligands, there was an nearly linear relationship between stability and delocalization index involving the ring carbon atoms (Cp) and the titanium. However, the titanocene stability is not only related to the interaction between Ti and C atoms of Cp ring, but secondary interactions also play important role on the stability of voluminous titanocenes. The third chapter deals with the chemical bond in coordination compounds by means of QTAIM. The quantum theory of atoms in molecules so far classifies bonds and chemical interactions in two categories: closed shell interaction (ionic bond, hydrogen bond, van der Waals interaction, etc) and shared interaction (covalent bond). Based on topological parameters such as electron density, Laplacian of electron density, delocalization index, among others, was classified the chemical bond in coordination compounds as an intermediate between closed shell and shared interactions

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The development of computers and algorithms capable of making increasingly accurate and rapid calculations as well as the theoretic foundation provided by quantum mechanics has turned computer simulation into a valuable research tool. The importance of such a tool is due to its success in describing the physical and chemical properties of materials. One way of modifying the electronic properties of a given material is by applying an electric field. These effects are interesting in nanocones because their stability and geometric structure make them promising candidates for electron emission devices. In our study we calculated the first principles based on the density functional theory as implemented in the SIESTA code. We investigated aluminum nitride (AlN), boron nitride (BN) and carbon (C), subjected to external parallel electric field, perpendicular to their main axis. We discuss stability in terms of formation energy, using the chemical potential approach. We also analyze the electronic properties of these nanocones and show that in some cases the perpendicular electric field provokes a greater gap reduction when compared to the parallel field