Modelo de Clutter na modelagem de crescimento e produção de eucalipto em sistemas de integração lavoura-pecuária-floresta

O objetivo deste trabalho foi definir a melhor forma de uso do modelo de Clutter para estimar o crescimento e a produção de clones de eucalipto em sistemas de integração lavoura-pecuária-floresta. Foram utilizados dados de sistemas de integração localizados na região noroeste do Estado de Minas Gerais. Os dados foram originados a partir de 180 parcelas permanentes de inventário florestal contínuo, de 30x40 m, contendo três fileiras de dez árvores, com amostragem casual estratificada de intensidade de uma parcela para cada 10 ha. O número médio de árvores por hectare foi de 242. Foram avaliadas plantas com idades de 20 a 95 meses. As melhores relações funcionais foram obtidas a partir do uso do modelo original de Clutter, com base na significância e nos sinais esperados das estimativas de seus parâmetros. O ajuste do modelo de Clutter deve ser feito na sua forma completa.

Modelagem matemática da secagem em camada delgada de bagaço de uva fermentado

O objetivo deste trabalho foi determinar as características da secagem de bagaço de uva fermentado em secador com ar aquecido, avaliar a capacidade descritiva de conhecidos modelos matemáticos de secagem em camada delgada, e obter os valores de difusividade efetiva e a energia de ativação. Os experimentos de secagem foram conduzidos a 50, 60, 70, 80 e 90ºC, com a velocidade do ar de secagem de 1,0 m s-1. Foram comparados dez diferentes modelos matemáticos de secagem em camada delgada, de acordo com os valores do coeficiente de determinação (R²), qui-quadrado (χ²), raiz do quadrado médio residual (RQMR) e erro médio relativo (P), estimados pelas curvas de secagem. Os efeitos da temperatura de secagem nos coeficientes e nas constantes foram preditos pelos modelos de regressão. O modelo de Page modificado foi selecionado para representar o comportamento da secagem em camada delgada de bagaço de uva. Os valores médios da difusividade efetiva variaram de 1,0091 x 10-9 m² s-1 a 3,0421 x 10-9 m² s-1 nas temperaturas avaliadas. A dependência da difusividade efetiva pela temperatura foi descrita pela equação de Arrhenius, com o valor de energia de ativação de 24,512 kJ mol-1.

Modelagem e quantificação da incerteza espacial do potássio disponível no solo por simulações estocásticas

O objetivo deste trabalho foi avaliar o desempenho da simulação sequencial gaussiana (SSG) e da simulação sequencial indicatriz (SSI) na modelagem da incerteza das predições do K disponível em área de cana-de-açúcar, e comparar as simulações com o método já consagrado de krigagem ordinária (KO). Uma malha amostral com 626 pontos foi instalada em área de 200 ha, no Município de Tabapuã, em São Paulo. As simulações reproduziram a variabilidade dos dados amostrais de K disponível, enquanto a KO superestimou os baixos teores de K e subestimou os altos. O mapa de desvio-padrão obtido a partir da KO mostrou menor variação ao longo da área de estudo, quando comparado aos mapas obtidos a partir das simulações. A SSI obteve acurácia 22% superior à obtida pela SSG, na modelagem da função de distribuição condicional do K. As simulações apresentam maior eficiência que a KO para modelar incerteza na distribuição espacial do K. A SSI apresenta melhor desempenho que a SSG na estimativa dos teores de K disponível, em área de cana-de-açúcar.

Redes neurais artificiais para a modelagem do volume de madeira e biomassa do cerradão com dados de satélite

Resumo:O objetivo deste trabalho foi avaliar a eficácia da aplicação de modelos de análise de regressão e redes neurais artificiais (RNAs) na predição do volume de madeira e da biomassa acima do solo, da vegetação arbórea em área de cerradão. Volume de madeira e biomassa foram estimados com equações alométricas desenvolvidas para a área de estudo. Os índices de vegetação, como variáveis preditoras, foram estimados a partir de imagens do sensor LISS-III, e a área basal foi determinada por medições na floresta. A precisão das equações foi verificada pela correlação entre os valores estimados e observados (r), erro-padrão da estimativa (Syx) e gráfico residual. As equações de regressão para o volume de madeira total e do fuste (0,96 e 0,97 para r, e 11,92 e 9,72% para Syx, respectivamente) e para a biomassa (0,91 e 0,92 para r, e 22,73 e 16,80% para Syx, respectivamente) apresentaram bons ajustes. As redes neurais também apresentaram bom ajuste com o volume de madeira (0,99 e 0,99 para r, e 4,93 e 4,83% para Syx) e a biomassa (0,97 e 0,98 r, e 8,92 e 7,96% para Syx, respectivamente). A área basal e os índices de vegetação foram eficazes na estimativa do volume de madeira e biomassa para o cerradão. Os valores reais de volume de madeira e biomassa não diferiram estatisticamente dos valores estimados pelos modelos de regressão e redes neurais (χ2ns); contudo, as RNAs são mais acuradas.

Improving globally distributed software development and support processes - A workflow view

We propose a new approach and related indicators for globally distributed software support and development based on a 3-year process improvement project in a globally distributed engineering company. The company develops, delivers and supports a complex software system with tailored hardware components and unique end-customer installations. By applying the domain knowledge from operations management on lead time reduction and its multiple benefits to process performance, the workflows of globally distributed software development and multitier support processes were measured and monitored throughout the company. The results show that the global end-to-end process visibility and centrally managed reporting at all levels of the organization catalyzed a change process toward significantly better performance. Due to the new performance indicators based on lead times and their variation with fixed control procedures, the case company was able to report faster bug-fixing cycle times, improved response times and generally better customer satisfaction in its global operations. In all, lead times to implement new features and to respond to customer issues and requests were reduced by 50%.

Modelagem Molecular: Uma Ferramenta para o Planejamento Racional de Fármacos em Química Medicinal

The molecular basis of modern therapeutics consist in the modulation of cell function by the interaction of microbioactive molecules as drug cells macromolecules structures. Molecular modeling is a computational technique developed to access the chemical structure. This methodology, by means of the molecular similarity and complementary paradigm, is the basis for the computer-assisted drug design universally employed in pharmaceutical research laboratories to obtain more efficient, more selective, and safer drugs. In this work, we discuss some methods for molecular modeling and some approaches to evaluate new bioactive structures in development by our research group.

Modelagem dos processos químicos em plasmas de misturas gasosas usadas na corrosão de silício. Parte 1: CF4 / O2

The plasma etching of semiconductor surfaces with fluorine-containing compounds has technological interest. Presently, considerable effort is being devoted to understand the chemistry involved. In this work, a numerical modeling analysis of the gas-phase decomposition of CF4/O2 mixtures, in the presence of silicon, was performed. The relative importance of individual processes was determined as well as the effect of the parameters' uncertainties. The results were compared with experimental data. The main etching agent in the system is the fluorine atom. The concentration of the main species, SiF4, CO, CO2 and COF2 depend on the composition of the mixture.

Modelagem dos processos químicos em plasmas de misturas gasosas usadas na corrosão de silício. Parte 2: SF6 / O2

In this work, a numerical modeling analysis of the gas-phase decomposition of SF6 / O2 mixtures, in the presence of silicon, was performed. The relative importance of individual processes and the effect of the parameters' uncertainties were determined. The model was compared with experimental data for the plasma etching of silicon and with the calculated results for the CF4 / O2 system. In both systems the main etching agent is the fluorine atom and the concentration of the major species depends on the composition of the mixture. The etching rate is greater for SF6 / O2.

Modelagem de proteínas por homologia

Modeling methods to derive 3D-structure of proteins have been recently developed. Protein homology-modeling, also known as comparative protein modeling, is nowadays the most accurate protein modeling method. This technique can produce useful models for about an order of magnitude more protein sequences than there have been structures determined by experiment in the same amount of time. All current protein homology-modeling methods consist of four sequential steps: fold assignment and template selection, template-target alignment, model building, and model evaluation. In this paper we discuss in some detail the protein-homology paradigm, its predictive power and its limitations.

Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica

Molecular Modeling is an important tool in drug design and it is very useful to predict biological activity from a library of compounds. A wide variety of computer programs and methods have been developed to visualize the tridimensional geometry and calculate physical properties of drugs. In this work, we describe a practical approach of molecular modeling as a powerful tool to study structure-activity relationships of drugs, including some antibacterials, hormones, cholinergic and adrenergic agents. At first, the students learn how to draw 3D structures and use them to perform conformational and molecular analysis. Thus, they compare drugs with similar pharmacological activity by superimposing one structure on the top of another and evaluate the geometry and physical properties.

Fixação de nitrogênio: estrutura, função e modelagem bioinorgânica das nitrogenases

Biological nitrogen fixation, catalyzed by nitrogenases, contributes about half of the nitrogen needed to global agriculture. For forty years synthetic chemists and theoreticians have tried to understand and model the structure and function of this important metalloenzyme. Ten years after the first report on the crystal structure of the MoFe protein, scientists still have not been able to synthesize a chemical equivalent of the FeMo cofactor nor the structure knowledge revealed the key to its catalytic activity. This paper with 104 references presents a review of the most relevant advances in chemical nitrogen fixation and their relation with the nitrogenases.

Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo

Quinine and quinidine are well-known 4-quinolinecarbinolamines that exhibit antimalarial activity, but, in contrast, their epimers 9-epiquinine and 9-epiquinidine are almost inactive. Literature data are conflicting in describing the 4-quinolinecarbinolamine interaction mode with the molecular target, the ferriprotoporphyrin IX [Fe(III)PPIX]. In the present paper, a pharmacophore is proposed based on the binding of the non-aromatic nitrogen to the iron atom. The 4-quinolinecarbinolamine antimalarials were superimposed on the pharmacophore under consideration and complexes with Fe(III)PPIX were constructed. Conformational analyses of the complexes were performed applying the MM+ molecular mechanics method. The analysis of the complexes showed that the proposed ligand mode is possible although it does not explain the activity differences between epimers. A discussion of the structural aspects is also provided.

Groupware and Workflow Tools - A Case study of SAP Business Workflow Supporting System Integration in a Global Telecommunication Company

Workflow management systems aim at the controlled execution of complex application processes in distributed and heterogeneous environments. These systems will shape the structure of information systems in business and non-business environments. E business and system integration is a fertile soil for WF and groupware tools. This thesis aims to study WF and groupware tools in order to gather in house knowledge of WF to better utilize WF solutions in future, and to focus on SAP Business Workflow in order to find a global solution for Application Link Enabling support for system integration. Piloting this solution in Nokia collects the experience of SAP R/3 WF tool for other development projects in future. The literary part of this study will guide to the world of business process automation providing a general description of the history, use and potentials of WF & groupware software. The empirical part of this study begins with the background of the case study describing the IT environment initiating the case by introducing SAP R/3 in Nokia, the communication technique in use and WF tool. Case study is focused in one solution with SAP Business Workflow. This study provides a concept to monitor communication between ERP systems and to increase the quality of system integration. Case study describes a way create support model for ALE/EDI interfaces. Support model includes monitoring organization and the workflow processes to solve the most common IDoc related errors.

Utilização de modelagem numérica para o estudo da dispersão de poluentes emitidos pela usina termoelétrica Presidente Médici

The purpose of the present study is to evaluate the atmospheric behavior in the dispersion of the pollutants SO2, PM10 and NOx emitted by the President Medici power plant in Candiota, RS. The RAMS atmospheric model was applied and the simulations were conducted from april in 20 to 24, 2004. The concentrations of the pollutants simulated by RAMS were compared with the data measured at the air quality monitoring stations. The results showed significant influence of the emissions generated by the power plant on the concentration of the pollutants.

Síntese, avaliação biológica e modelagem molecular de arilfuranos como inibidores da enzima tripanotiona redutase

Trypanosoma cruzi is a protozoan parasite that causes a severe disease (Chagas'disease) in Central and South America. The currently available chemotherapeutic agents against this disease are still inadequate. The enzyme trypanothione reductase (TR) is considered a validated molecular target for the development of new drugs against this parasite. In this regard, a series of arylfurans based on 2,5-bis-(4-acetamidophenyl)furan was synthesized and tested for their in vitro inhibitory activity against TR. Molecular modeling studies of putative enzyme-inhibitor complexes revealed a possible mechanism of interaction. From synthesized compounds, a benzylaminofuran derivative was found to be more active than the lead compound.