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.

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.

Analysis of phenotypes altered by temperature stress and hipermutability in Drosophila willistoni

Drosophila willistoni (Sturtevant, 1916) is a species of the willistoni group of Drosophila having wide distribution from the South of USA (Florida) and Mexico to the North of Argentina. It has been subject of many evolutionary studies within the group, due to its considerable ability to successfully occupy a wide range of environments and also because of its great genetic variability expressed by different markers. The D. willistoni 17A2 strain was collected in 1991 in the state of Rio Grande do Sul, Brazil (30°05'S, 51°39'W), and has been maintained since then at the Drosophila laboratory of UFRGS. Different to the other D. willistoni strains maintained in the laboratory, the 17A2 strain spontaneously produced mutant males white-like (white eyes) and sepia-like (brown eyes) in stocks held at 17°C. In order to discover if this strain is potentially hypermutable, we submitted it to temperature stress tests. Eighteen isofemale strains were used in our tests and, after the first generation, all the individuals produced in each strain were maintained at 29°C. Different phenotype alterations were observed in subsequent generations, similar to mutations already well characterized in D. melanogaster (white, sepia, blistered and curly). In addition, an uncommon phenotype alteration with an apparent fusion of the antennae was observed, but only in the isofemale line nº 31. This last alteration has not been previously described as a mutation in the D. melanogaster species. Our results indicate that the D. willistoni 17A2 strain is a candidate for hypermutability, which presents considerable cryptic genetic variability. Different factors may be operating for the formation of this effect, such as the mobilization of transposable elements, effect of inbreeding and alteration of the heat-shock proteins functions.

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.

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.

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.

Tratamento anaeróbio de águas residuárias do beneficiamento de café por via úmida em reatores UASB em dois estágios

Neste trabalho, avaliou-se a eficiência do tratamento de águas residuárias do beneficiamento de café por via úmida em reatores anaeróbios de fluxo ascendente com manta de lodo (UASB), em dois estágios, em escala de bancada, submetidos a tempos de detenção hidráulica (TDH) de 4,0; 5,2 e 6,2 dias e cargas orgânicas volumétricas (COV) de 5,8; 3,0 e 3,6 g DQO total (L d)-1, no primeiro reator (R1), e TDH de 2,0; 2,6 e 3,1 dias e COV de 5,8; 0,5 e 0,4 g DQO total (L d)-1, no segundo reator (R2). Os valores médios de DQO do afluente variaram de 15.440 a 23.040 mg O2 L-1. As eficiências médias de remoção de DQO total e SST foram de 66 a 98% e de 93 a 97%, respectivamente, nos reatores UASB, em dois estágios. O teor médio de metano no biogás variou de 69 a 89%, no reator R1, e de 52 a 73%, no reator R2. A produção volumétrica máxima de metano de 0,708 L CH4 (L reator d)-1 foi obtida com COV de 3,6 g DQO (Ld)-1 e TDH de 6,2 d, no reator R1. Os valores médios de pH variaram de 4,7 a 7,7 e de 4,9 a 8,0 nos efluentes dos reatores R1 e R2, respectivamente. As concentrações de ácidos voláteis totais nos efluentes mantiveram-se estáveis com valores inferiores a 100 mg L-1, com TDH de 5,2 e 6,2 dias, no reator R1, e TDH de 2,6 e 3,1 dias, no reator R2. As concentrações médias de fenóis totais no afluente variaram de 80 a 97 mg L-1 e as eficiências médias de remoção nos reatores UASB, em dois estágios, foram de 72 a 90%.

Performance of UASB reactors in two stages followed by post-treatment with activated sludge in wastewater batch of wet-processed coffee

In this study it was evaluated the efficiency of the treatment of wet-processed coffee wastewater in upflow anaerobic sludge blanket (UASB) reactors in two stages, in bench scale, followed by post-treatment with activated sludge in batch. The first UASB reactor was submitted to an hydraulic retention time (HRT) of 6.2 d and organic loading rates (OLR) of 2.3 and 4.5g CODtotal (L d)-1, and the second UASB reactor to HRT of 3.1 d with OLR of 0.4 and 1.4g CODtotal (L d)-1. The average values of the affluent CODtotal increased from 13,891 to 27,926mg L-1 and the average efficiencies of removal of the CODtotal decreased from 95 to 91%, respectively, in the UASB reactors in two stages. The volumetric methane production increased from 0.274 to 0.323L CH4 (L reactor d)-1 with increment in the OLR. The average concentrations of total phenols in the affluent were of 48 and 163mg L-1, and the removal efficiencies in the UASB reactors in two stages of 92 and 90%, respectively, and increased to 97% with post-treatment. The average values of the removal efficiencies of total nitrogen and phosphorus were of 57 to 80% and 44 to 60%, respectively, in the UASB reactors in two stages and increased to 91 and 84% with the post-treatment.

On the development of an unstructured grid solver for inert and reactive high speed flow simulations

An unstructured grid Euler solver for reactive compressible flow applications is presented. The method is implemented in a cell centered, finite volume context for unstructured triangular grids. Three different schemes for spatial discretization are implemented and analyzed. Time march is implemented in a time-split fashion with independent integrators for the flow and chemistry equations. The capability implemented is tested for inert flows in a hypersonic inlet and for inert and reactive supersonic flows over a 2-D wedge. The results of the different schemes are compared with each other and with independent calculations using a structured grid code. The strengths and the possible weaknesses of the proposed methods are discussed.

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.