An Investigation into Mechanisms of Loss of Safe Basins in a 2 D.O.F. Nonlinear Oscillator

In this work we consider the transient stability of coupled motions of a 2 D.O.F. nonlinear oscillator that can represent, for example, the motions of a sea vessel under the action of trains of regular lateral waves. Instability is studied as the escape of the system from a safe potential well. The set of initial conditions in phase space that lead to acceptable motions constitutes its safe basin. We investigate the evolution of these safe basins under variation of parameters such as frequency and amplitude of waves, and an internal tuning parameter. Complex nonlinear phenomena are known to play an important role in determining the loss of safe basins as, say, wave amplitude is increased. We therefore investigate those processes, and attempt to classify them in terms of their speed relative to changes in parameter values. "Mechanism basins" are produced depicting regions of parameter space in which rapid or slow losses of safe basin are observed. We propose that a comprehensive understanding of mechanisms of loss of safe basins can be a valuable tool in assessing stability properties of these systems, and we give a conceptual view of how such information could be used.

Membrane proteins: functional and structural studies using reconstituted proteoliposomes and 2-D crystals

Reconstitution of membrane proteins into lipid bilayers is a powerful tool to analyze functional as well as structural areas of membrane protein research. First, the proper incorporation of a purified membrane protein into closed lipid vesicles, to produce proteoliposomes, allows the investigation of transport and/or catalytic properties of any membrane protein without interference by other membrane components. Second, the incorporation of a large amount of membrane proteins into lipid bilayers to grow crystals confined to two dimensions has recently opened a new way to solve their structure at high resolution using electron crystallography. However, reconstitution of membrane proteins into functional proteoliposomes or 2-D crystallization has been an empirical domain, which has been viewed for a long time more like "black magic" than science. Nevertheless, in the last ten years, important progress has been made in acquiring knowledge of lipid-protein-detergent interactions and has permitted to build upon a set of basic principles that has limited the empirical approach of reconstitution experiments. Reconstitution strategies have been improved and new strategies have been developed, facilitating the success rate of proteoliposome formation and 2-D crystallization. This review deals with the various strategies available to obtain proteoliposomes and 2-D crystals from detergent-solubilized proteins. It gives an overview of the methods that have been applied, which may be of help for reconstituting more proteins into lipid bilayers in a form suitable for functional studies at the molecular level and for high-resolution structural analysis.

Síntese e modificações de derivados heterocíclicos de D-arabinose: potenciais inibidores de glicose-6-fosfato isomerase e de glicosamina-6-fosfato sintase

The synthesis of -5-(D-arabino-1,2,3,4-tetrahydroxybutyl)tetrazole and -2-(D-arabino-1,2,3,4-tetra-acetoxybutyl)-5-methyl-1,3,4-oxadiazole from D-arabinose is described. Attempts at removing the protecting groups of the oxadiazole derivative were unsuccessful, leading to products resulting from the opening of the oxadiazole ring. The unprotected tetrazole derivative was selectively phosphorylated at the primary hydroxyl group with diethylphosphoryl chloride. The resulting 5-[D-arabino-4-(diethylphosphoryloxy)-1,2,3-trihydroxybutyl]tetrazole is a protected form of a potential inhibitor of the enzymes glucose-6-phosphate isomerase and glucosamine synthase.

Fluid dynamic modelling and simulation of circulating fluidized bed reactors: importance of the interface turbulence transfer

The main objective of this work is to analyze the importance of the gas-solid interface transfer of the kinetic energy of the turbulent motion on the accuracy of prediction of the fluid dynamic of Circulating Fluidized Bed (CFB) reactors. CFB reactors are used in a variety of industrial applications related to combustion, incineration and catalytic cracking. In this work a two-dimensional fluid dynamic model for gas-particle flow has been used to compute the porosity, the pressure, and the velocity fields of both phases in 2-D axisymmetrical cylindrical co-ordinates. The fluid dynamic model is based on the two fluid model approach in which both phases are considered to be continuous and fully interpenetrating. CFB processes are essentially turbulent. The model of effective stress on each phase is that of a Newtonian fluid, where the effective gas viscosity was calculated from the standard k-epsilon turbulence model and the transport coefficients of the particulate phase were calculated from the kinetic theory of granular flow (KTGF). This work shows that the turbulence transfer between the phases is very important for a better representation of the fluid dynamics of CFB reactors, especially for systems with internal recirculation and high gradients of particle concentration. Two systems with different characteristics were analyzed. The results were compared with experimental data available in the literature. The results were obtained by using a computer code developed by the authors. The finite volume method with collocated grid, the hybrid interpolation scheme, the false time step strategy and SIMPLEC (Semi-Implicit Method for Pressure Linked Equations - Consistent) algorithm were used to obtain the numerical solution.

Effects of the mechanical damage on the water absorption process by corn kernel

The purpose of this study was to investigate and model the water absorption process by corn kernels with different levels of mechanical damage Corn kernels of AG 1510 variety with moisture content of 14.2 (% d.b.) were used. Different mechanical damage levels were indirectly evaluated by electrical conductivity measurements. The absorption process was based on the industrial corn wet milling process, in which the product was soaked with a 0.2% sulfur dioxide (SO2) solution and 0.55% lactic acid (C3H6O3) in distilled water, under controlled temperatures of 40, 50, 60, and 70 ºC and different mechanical damage levels. The Peleg model was used for the analysis and modeling of water absorption process. The conclusion is that the structural changes caused by the mechanical damage to the corn kernels influenced the initial rates of water absorption, which were higher for the most damaged kernels, and they also changed the equilibrium moisture contents of the kernels. The Peleg model was well adjusted to the experimental data presenting satisfactory values for the analyzed statistic parameters for all temperatures regardless of the damage level of the corn kernels.

Remoção de sólidos suspensos e totais em biofiltros operando com esgoto doméstico primário para reuso na agricultura

Este trabalho objetivou analisar a remoção de sólidos suspensos e totais em biofiltros, preenchidos com lixo compostado, bagaço de cana-de-açúcar e serragem de madeira, submetidos às taxas de aplicação do esgoto doméstico de 0,5, 1,0 e 1,5 m³ m-2 d-1, em Viçosa-MG. Para isso, foi montada uma bancada experimental, constituída de 27 biofiltros, em área experimental da Universidade Federal de Viçosa. As concentrações de sólidos suspensos e totais foram determinadas, mensalmente, durante período de 153 dias. O experimento foi montado no esquema de parcelas subsubdivididas, tendo, nas parcelas, as taxas de aplicação do esgoto doméstico; nas subparcelas, os tipos de material orgânico e, nas subsubparcelas, os períodos de avaliação, no delineamento em blocos casualizados, com três repetições. Os resultados indicaram que os biofiltros proporcionaram remoções de sólidos suspensos e totais de até 82 e 46%, no esgoto doméstico, após 153 dias de operação; a serragem de madeira foi o tipo de material orgânico filtrante com melhor desempenho no tratamento de esgoto doméstico; as aplicações de taxas de 0,5, 1,0 e 1,5 m³ m-2 d-1 de esgoto não apresentaram diferenças quanto à remoção de sólidos suspensos e totais; e a utilização de biofiltros minimiza a obstrução de emissores causada por sólidos suspensos, quando do aproveitamento agrícola de esgoto doméstico, por via do sistema de irrigação por gotejamento.

Predicting the distribution of forest tree species using topographic variables and vegetation index in eastern Acre, Brazil

Species distribution modeling has relevant implications for the studies of biodiversity, decision making about conservation and knowledge about ecological requirements of the species. The aim of this study was to evaluate if the use of forest inventories can improve the estimation of occurrence probability, identify the limits of the potential distribution and habitat preference of a group of timber tree species. The environmental predictor variables were: elevation, slope, aspect, normalized difference vegetation index (NDVI) and height above the nearest drainage (HAND). To estimate the distribution of species we used the maximum entropy method (Maxent). In comparison with a random distribution, using topographic variables and vegetation index as features, the Maxent method predicted with an average accuracy of 86% the geographical distribution of studied species. The altitude and NDVI were the most important variables. There were limitations to the interpolation of the models for non-sampled locations and that are outside of the elevation gradient associated with the occurrence data in approximately 7% of the basin area. Ceiba pentandra (samaúma), Castilla ulei (caucho) and Hura crepitans (assacu) is more likely to occur in nearby water course areas. Clarisia racemosa (guariúba), Amburana acreana (cerejeira), Aspidosperma macrocarpon (pereiro), Apuleia leiocarpa (cumaru cetim), Aspidosperma parvifolium (amarelão) and Astronium lecointei (aroeira) can also occur in upland forest and well drained soils. This modeling approach has potential for application on other tropical species still less studied, especially those that are under pressure from logging.

Distribuição do amônio, nitrato, potássio e fósforo em colunas de latossolos fertirrigadas

Na fertirrigação, é conveniente aplicar os nutrientes de forma a conseguir sua localização na profundidade mais adequada para absorção por parte das culturas: em maior profundidadepara a cultura perene e, mais superficialmente, nas culturas de ciclo curto. Com os objetivos de estabelecer em que fração da lâmina de irrigação devem ser aplicada as doses de N (NH4+ e NO3-); K+ e H2PO4-, de investigar qual o melhor fracionamento de suas doses, de modo a localizá-los na profundidade adequada, e de determinar a distribuição na coluna de NH4+, NO3-, K+ e H2PO4- aplicados por fertirrigação, foi realizado um experimento em laboratório, utilizando colunas de percolação. Os tratamentos corresponderam a um fatorial 4 (1 + 7), sendo quatro Latossolos de Minas Gerais [dois Latossolos Vermelho-Amarelos distróficos (LVAd1 e LVAd2), um Latossolo Vermelho distroférrico (LVdf) e um Latossolo Vermelho distrófico (LVd)], uma testemunha (aplicação de água deionizada) e sete formas de aplicação de 1 mmol dm-3 de NH4+, 1 mmol dm-3 de NO3-, 2 mmol dm-3 de K+ e 0,667 mmol dm-3 de H2PO4-. A lâmina de água foi dividida em cinco frações iguais (F1 a F5) e a dose dos nutrientes aplicada integralmente (D), ou fracionada em duas (D1/2) ou em três vezes (D1/3). Assim, a aplicação dos nutrientes foi feita segundo o esquema: F2D, F3D, F4D, F2D1/2F3D1/2 , F3D1/2F4D 1/2, F2D1/2F4D1/2 ou F2D1/3F3D1/3 F4D1/3. Subamostras foram utilizadas na análise de NH4+; NO3-; K+ e H2PO4-, determinando-se a distribuição desses nutrientes na coluna de solo. A mobilidade apresentou a seguinte ordem nos solos LVAd1, LVAd2 e LVd: NO3- > NH4+ > K+ > H2PO4-. Já para o solo LVdf, a ordem foi NH4+ > NO3- > K+ > H2PO4-. A ordem de risco de contaminação de águas subterrâneas por NO3- foi a seguinte: LVAd1 > LVAd2 > LVdf > LVd. A quantidade de água acrescentada a cada coluna, inferior a meio volume de poros, não foi suficiente para deslocar o H2PO4- além do primeiro anel. Para os outros íons em estudo, a localização em maior profundidade, quando aplicados como pulso único, foi verificada com a maior concentração no pulso (D > D1/2 > D 1/3) e com a maior lâmina de água posterior à sua aplicação (F2D > F3D > F 4D e F2D1/2F3D1/2 > F3D1/2F4D1/2 ). Os resultados evidenciam que a mobilidade diferencial de N (NH4+ e NO3-) e K+ exigiria escolha cuidadosa das doses desses nutrientes na solução, a fim de evitar perdas de N (NH4+ e NO3-) por lixiviação, ou localização excessivamente superficial do K+. A baixa mobilidade do H2PO4- mostra que a fertirrigação não seria uma técnica apropriada para sua incorporação no perfil do solo, visando à fertilização das culturas.

Fertilization response likelihood for the interpretation of leaf analyses

Leaf analysis is the chemical evaluation of the nutritional status where the nutrient concentrations found in the tissue reflect the nutritional status of the plants. Thus, a correct interpretation of the results of leaf analysis is fundamental for an effective use of this tool. The purpose of this study was to propose and compare the method of Fertilization Response Likelihood (FRL) for interpretation of leaf analysis with that of the Diagnosis and Recommendation Integrated System (DRIS). The database consisted of 157 analyses of the N, P, K, Ca, Mg, S, Cu, Fe, Mn, Zn, and B concentrations in coffee leaves, which were divided into two groups: low yield (< 30 bags ha-1) and high yield (> 30 bags ha-1). The DRIS indices were calculated using the method proposed by Jones (1981). The fertilization response likelihood was computed based on the approximation of normal distribution. It was found that the Fertilization Response Likelihood (FRL) allowed an evaluation of the nutritional status of coffee trees, coinciding with the DRIS-based diagnoses in 84.96 % of the crops.

ESTRUTURA DO SOLO SOB FEIJÃO IRRIGADO E DIFERENTES MANEJO DO SOLO

O manejo agrícola influencia a estrutura do solo, modificando os atributos físicos e o comportamento hídrico do solo. O objetivo deste trabalho foi avaliar os efeitos da semeadura direta (SD) e do preparo convencional (PC) sobre a estrutura do solo, por meio de atributos físicos e da distribuição dos poros, utilizando imagens digitais 2-D. O estudo foi realizado em um Latossolo Vermelho distroférrico com delineamento de blocos casualizados. A densidade do solo, macroporosidade, diâmetro médio ponderado (DMP), condutividade hidráulica do solo saturado (Kfs) e análise de imagens digitais 2-D (resolução de 156,25 μm2) foram avaliadas nas profundidades de 0-0,20 e 0,20-0,40 m. Os manejos não diferiram para a densidade e macroporosidade do solo. A SD revelou maior DMP e Kfs em relação ao PC. O PC apresentou maior área total de poros na profundidade de 0-0,20 m em relação ao SD, ocorrendo o inverso na profundidade de 0,20-0,40 m. A SD apresentou maior quantidade de poros complexos de tamanho grande (>0,156 mm2) na camada de 0,20-0,40 m em relação ao PC, que evidenciou predomínio de poros arredondados. A SD demonstrou melhorias na estrutura do solo em relação ao PC, com maior estabilidade dos agregados, condutividade hidráulica e área total de poros, contribuindo para a conservação do solo e da água em sistemas produtivos.

Development and evaluation of neural network models to estimate daily solar radiation at Córdoba, Argentina

The objective of this work was to develop neural network models of backpropagation type to estimate solar radiation based on extraterrestrial radiation data, daily temperature range, precipitation, cloudiness and relative sunshine duration. Data from Córdoba, Argentina, were used for development and validation. The behaviour and adjustment between values observed and estimates obtained by neural networks for different combinations of input were assessed. These estimations showed root mean square error between 3.15 and 3.88 MJ m-2 d-1 . The latter corresponds to the model that calculates radiation using only precipitation and daily temperature range. In all models, results show good adjustment to seasonal solar radiation. These results allow inferring the adequate performance and pertinence of this methodology to estimate complex phenomena, such as solar radiation.

Estimativa da entalpia reticular de adutos (DM Hm o ) utilizando-se formas modificadas da equação de Kapustinskii

In this work are presented two modified forms of Kapustinskii equation that could be used to estimate the values of the lattice enthalphies for adducts: DM Hm o=(-n.z+ .z- .10(2)/D).(1-d*/D) .K and DM Hm o=(-n.z+ .z-.10(2)/d).(1-d*/d).K.d. Two new parameters related with steric effects and donor power of the ligands, J anddare introduced. The proposed equations were tested for 49 adducts (mainly from the zinc group halides). The difference between experimental (calorimetric) and calculated values (using the proposed equations) values are less than 5% for 41 of the tested adducts.

Alcaloides indólicos de cascas de Aspidosperma vargasii e A. desmanthum

Fractionation of extracts resulted in isolation and identification of indole alkaloids ellipticine and N-methyltetrahydroellipticine from A. vargasii and aspidocarpine from A. desmanthum. Identification of these compounds was achieved based on IR, MS, ¹H, 13C and 2-D NMR data and comparison to data in the literature.

Modelagem termodinâmica por extração por solvente de metais divalentes em meio sulfato usando D2EHPA

The extraction of divalent metals (Mn2+, Ni2+, Co2+ and Cu2+) in the system MSO4 - H2SO4 - H2O - D2EHPA in isoparaffin (17/21) was studied by a thermodynamic model based on chemical equilibria with mass and charge balance equations. The activity coefficients of all solutes in the aqueous phase were calculated by Davies equation. By applying this model, the equilibrium concentrations of solutes were calculated from de concentration of divalent metals and pH. The predicted distribution coefficients for the divalents metals were in good agreement with experimental results.

Self-assembly of supermolecular species directed by hydrogen bonding and aromatic π-π stacking interactions

A new Cu(II) trimers, [Cu3(dcp)2(H2O)8]. 4DMF, with the ligand 3,5-pyrazoledicarboxylic acid monohydrate (H3dcp) has been prepared by solvent method. Its solid-state structure has been characterized by elemental analysis, thermal analysis (TGA and DSC), and single crystal X-ray diffraction. X-ray crystallographic studies reveal that this complex has extended 1-D,2-D and 3-D supramolecular architectures directed by weak interactions (hydrogen bond and aromatic π-π stacking interaction) leading to a sandwich solid-state structure.