Made available in DSpace on 2014-10-09T12:27:40Z (GMT). No. of bitstreams: 0 / Made available in DSpace on 2014-10-09T14:04:16Z (GMT). No. of bitstreams: 0 / Este trabalho teve como objetivo o desenvolvimento de um sistema computacional (software) de gerenciamento de risco, viabilizando o diagnóstico dos riscos dos processos de radioesterilização de tecidos biológicos. O gerenciamento de risco pode ser entendido como uma gestão sistemática que tem por objetivo identificar, registrar e controlar os riscos de um processo. Para a execução do gerenciamento de risco são requisitos fundamentais: a experiência, o discernimento e o julgamento de uma equipe multidisciplinar, direcionada por meio de ferramentas de qualidade, no intuito de proporcionar padronização no processo investigativo das causas e efeitos dos riscos; dinamismo também é requisito no alcance do objetivo desejado: a redução e o controle do risco. Nesse sentido, a aplicação do gerenciamento de risco torna-se uma atividade complexa, devido à variedade de profissionais envolvidos. Por isso, o apoio de um sistema computacional é tão importante, pois, no que tange ao gerenciamento de risco, o software facilita as tarefas do responsável pelo processo de radioesterilização de tecidos biológicos, que pode, inclusive, contar com a utilização de normas e guias específicos. Essas informações de sumária importância são indexadas nos diagnósticos de riscos, o que torna possível ao responsável qualificado a execução de ações corretivas para a garantia da segurança do processo. A metodologia adotada neste trabalho foi a pesquisa-ação, segundo a qual o pesquisador desempenha um papel ativo no equacionamento dos problemas encontrados, bem como no acompanhamento e avaliação das ações desencadeadas em função dos problemas observados. O cenário dessa pesquisa-ação foi o Laboratório de Tecidos Biológicos (LTB) no Centro de Tecnologia das Radiações (CTR, IPEN/CNEN-SP, Brasil). O software foi desenvolvido em linguagem PHP e Flash/MySQL e está hospedado num servidor que o torna disponível na internet via endereço www.vcrisk.com.br, podendo, então, ser acessado de qualquer lugar pelo usuário , por meio de um login/senha previamente encaminhados por e-mail. O sistema computacional apresenta uma navegabilidade amigável, o que permite que o usuário seja guiado, passo a passo, no processo investigativo do risco até as suas medidas de redução. Tal sistema direciona o usuário a apresentar a efetividade das ações tomadas para redução do risco dentro de prazos previstos. Assim, o uso desse sistema proporciona à organização (LTB/CTR/IPEN) uma comunicação dinâmica e efetiva entre os membros da equipe multidisciplinar: a) na tomada de decisões; b) nas lições aprendidas; c) no conhecimento do novo risco e suas ações para mantê-lo controlado; e d) no gerenciamento de falhas e riscos, garantindo a realização da principal meta de um laboratório de radioesterilização de tecidos biológicos que é a excelência de qualidade do tecido radioesterilizado. / Tese (Doutoramento) / IPEN/T / Instituto de Pesquisas Energeticas e Nucleares - IPEN-CNEN/SP

Submitted by Pedro Silva Filho (pfsilva@ipen.br) on 2018-01-31T16:47:23Z No. of bitstreams: 0 / Made available in DSpace on 2018-01-31T16:47:23Z (GMT). No. of bitstreams: 0 / Asma é uma doença de elevada prevalência e morbidade, constituindo-se um importante problema de saúde pública em todo o mundo. Muitos diagnósticos médicos por imagem dependem da utilização de raio X; entretanto, no caso da asma, o diagnóstico é clínico, particularmente na criança. Os pacientes são frequentemente submetidos a procedimentos radiológicos, preferencialmente o raio X de tórax. A escassez de dados na literatura referentes aos riscos da exposição à radiação ionizante em pacientes com asma e os possíveis benefícios relacionados à oportunidade de coleta de informações justificaram a investigação no programa municipal infantil de controle da asma de Ipatinga, Minas Gerais (Programa Respirar). Foi realizado estudo retrospectivo referente ao ano de 2014, com caso controle, do qual participaram 363 pacientes do Programa Respirar e número semelhante de controle, sem diferença sociodemográfica significativa entre os grupos. Encontramos que uma criança do grupo respirar tem 1,59 vez mais chance de realizar um raio X, e para o raio X de tórax essa chance aumenta para 6,56 vezes. A maioria dos raios X de tórax foi solicitada nas visitas aos serviços de urgência, mas 90% dos raios X realizados e laudados no grupo respirar e 84,2% do grupo controle revelaram resultado normal ou com alterações típicas, possibilitando o questionamento a respeito da indicação do exame. / Dissertação (Mestrado em Tecnologia Nuclear) / IPEN/D / Instituto de Pesquisas Energéticas e Nucleares - IPEN-CNEN/SP

A abordagem de modos normais de baixa frequência na descrição das flutuações conformacionais dos estados nativos das proteínas globulares tem ajudado na caracterização das suas funções biológicas. Vários métodos teóricos e experimentais têm sido empregados para a determinação destas flutuações internas. Estes movimentos podem ser caracterizados pelo fator Debye-Waller (fator-B), correspondente à mobilidade local do resíduo em nível atômico. A análise de modos normais utilizando os modelos de rede elástica (ENM) demonstra ser uma técnica robusta. Fatores-B experimentais são reproduzidos teoricamente por meio desta técnica em tempos computacionais relativamente curtos, mostrando-se competitiva com as técnicas mais sofisticadas. O modelo de rede elástica é uma abordagem t ipo coarse-grain na qual a proteína no seu estado enovelado é representada por uma rede elástica tridimensional de carbonos conectados por molas. As molas representam as interações ligantes e não ligantes entre os carbonos . Neste trabalho, inicialmente, estudamos os modelos de rede elástica já conhecidos na literatura. Em seguida, realizamos um estudo comparativo entre eles. Neste estudo, comprovamos que os modelos pfGNM e pfANM apresentam melhor correlação com os fatores-B experimentais que os os modelos GNM e ANM tradicionais. Desenvolvemos também uma nova abordagem, a qual intitulamos número de contatos ponderados anisotrópica (AWCN). Mostramos que a abordagem AWCN apresenta um desempenho significativamente melhor que o modelo de rede elástica anisotrópica tradicional. Por fim, realizamos um estudo de caráter investigativo do comportamento do peso das interações entre resíduos. Este estudo re velou que, para os modelos WCN e AWCN, a correlação exibe o seu valor máximo para interações ponderadas $1/R^p$, entre resíduos $i$ e $j$j, para valores de $p$ em torno de 2. Nos modelos pfGNM e pfANM a correlação é maximizada para dois valores de $p$, o primeiro em torno de 2 e o segundo em torno de 4,75, indicando que a ponderação pelo recíproco do quadrado da distância, usualmente empregada na literatura, pode não ser adequada para obter a melhor correlação. / Low frequency normal mode approach to describe conformational fluctuations of globular proteins has helped to characterize their biological functions. Various theoretical and experimental methods have been employed to det ermine the magnitudes of those internal motions. Those motions can be characterized by the Debye-Waller factor (B-factor), co rresponding to the local mobility of the residue at the atomic level. Normal mode analysis using elastic network models (ENM) has demonstrated to be a robust technique. Experimental B-factors has been reproduced theoretically by means of this techniq ue in a short computational time and it has been shown to be competitive with more sophisticated techniques. The ENM is a coarse-grained approach in which the protein is represented by a three-dimensional elastic network of alpha-carbon atoms connect ed by springs. Springs represent bonded and non-bonded interactions between the alpha-carbon atoms. In this work, we study th e elastic network models known in the literature. Next, we perform a comparative study between them. We show that the pfGNM a nd pfANM models present better correlation with experimental B-factors than the traditional GNM and ANM models. We also devel op a new approach, which we entitled anisotropic weighted contact number (AWCN). We show that it presents results significantly better than the traditional anisotropic elastic network model. Finally, we perform a study of investigative character of the behavior for the weight of the interactions between residues. This study revealed that, for the WCN and AWCN models, the correlation exhibits its maximum value for weighted interactions $1/R^p$, between residues $i$ and $j$, for values of $p$ around 2. In the pfGNM and pfANM models the correlation is max imized for two values of $p$, the first one around 2 and the second one around 4.75. This indicates that the weighting by the reciprocal of the square of the distance, usually employed in the literature, may not be appropriate to obtain the best correlation.

Wave propagation problems can be modeled by partial differential equations. In this thesis, we study wave propagation in fluids and in solids, modeled by the acoustic wave equation and the elastic wave equation, respectively. In real-world applications, waves often propagate in heterogeneous media with complex geometries, which makes it impossible to derive exact solutions to the governing equations. Alternatively, we seek approximated solutions by constructing numerical methods and implementing on modern computers. An efficient numerical method produces accurate approximations at low computational cost. There are many choices of numerical methods for solving partial differential equations. Which method is more efficient than the others depends on the particular problem we consider. In this thesis, we study two numerical methods: the finite difference method and the discontinuous Galerkin method. The finite difference method is conceptually simple and easy to implement, but has difficulties in handling complex geometries of the computational domain. We construct high order finite difference methods for wave propagation in heterogeneous media with complex geometries. In addition, we derive error estimates to a class of finite difference operators applied to the acoustic wave equation. The discontinuous Galerkin method is flexible with complex geometries. Moreover, the discontinuous nature between elements makes the method suitable for multiphysics problems. We use an energy based discontinuous Galerkin method to solve a coupled acoustic-elastic problem.

No description available.

In this thesis we have employed two computational approaches, temperature-dependent molecular dynamics (MD) and normal mode analysis (NMA), to gain insights into the structureunction relationships between three structurally-related proteins, each possessing a central alpha/beta core. The three proteins studied here are: pnbCE from Bacillus subtilis, cutinase from Fusarium solani - both belong to the serine hydrolase family - and TTHA1554, from the thermophile Thermus thermophilus. Mutations at the gate residue 362, located at the side-door of the pnbCE enzyme, are known to alter the catalytic activity of this enzyme. In this work the modifications induced by mutating LEU362 on the structural and dynamical properties of pnbCE are also explored. From MD simulations at several temperatures, we propose a mechanism by which mutations at position 362 of pnbCE affect the stability and functionality of this enzyme. We have identified two coil residues, SER218 and GLN276, whose interactions with residue 362 in wild-type and mutant pnbCE enzymes control the dynamics of the side-door domain of pnbCE. A hydrogen bond between the GLN276 and ARG362 residues in the arginine substituted (L362R) pnbCE mutant enzyme appears to be responsible for locking the sidedoor domain region of the L362R enzyme, thus lowering the catalytic rates of the L362R mutant pnbCE enzyme compared to the wild-type. Similarly, a hydrogen bond formed between SER218 and ARG362 in L362R provides thermal stability to the arginine substituted mutant enzyme. This hydrogen bond is not as prevalent in the wild-type or other mutated pnbCEs, making them prone to structural fluctuations upon increasing temperature. The predominant lowrequency mode, obtained from normal mode analysis, reveals a collective scissor-like motion of residues surrounding the openings to the active site that validates the results of MD simulations on pnbCE systems. The collective motion of large loops also appear in the lowrequency modes of cutinase and TTHA1554, which correspond to particularly mobile regions in these proteins. An attempt to locate a putative active site of the thermophilic protein TTHA1554 was inconclusive. In general, useful comparisons of the flexibility, stability, and dynamic changes were calculated for the three selected proteins.

This study proposed a finite element procedure for protein normal mode analysis (NMA). The finite element model adopted the protein solvent-excluded surface to generate a homogeneous and isotropic volume. A simplified triangular approximation of coarse molecular surface was generated from the original surface model by using the Gaussian-based blurring technique. Similar to the widely adopted elastic network model, the finite element model holds a major advantage over standard all-atom normal mode analysis: the computationally expensive process of energy minimization that may distort the initial protein structure has been eliminated. This modification significantly increases the efficiency of normal mode analysis. In addition, the finite element model successfully brings out the capability of normal mode analysis in low-frequency/high collectivity molecular motion by capturing protein shape properties. Fair results from six protein models in this study have fortified the capability of the finite element model in protein normal mode analysis.

No description available.

The development of high power density three-phase ac converter has been a hot topic in power electronics area due to the increasing needs in applications like electric vehicle, aircraft and aerospace, where light weight and/or low volume is usually a must. Many challenges exist due to the complicated correlations in a three-phase power converter system. In addition, with the emerging SiC device technology the operating frequency of the converter can be potentially pushed to the range from tens of kHz to hundreds of kHz at higher voltage and higher power conditions. The extended frequency range brings opportunities to further improve the power density of the converter. Technologies based on existing devices need to be revisited. In this dissertation, a systematic methodology to analyze and design the high power density three-phase ac converter is developed. All the key factors of the converter design are explored from the high density standpoint. Firstly, the criteria for the passive filter selection are derived and the relationship between the switching frequency and the size of the EMI filter is investigated. A function integration concept as well as the physical design approach is proposed. Secondly, a topology evaluation method is presented, which provides the insight into the relationships between the system constraints, operating conditions and design variables. Four topologies are then compared with the proposed approach culminating with a favored topology under the given conditions. Thirdly, a novel average model is developed for the selected topology, and used for devising a carrier-based control approach with simple calculation and good regulation performance. Fourthly, the converter failure mode operation and corresponding protection approaches are discussed and developed. Finally, a 10 kW three-phase ac/ac converter is built with the SiC devices. All the key concepts and ideas developed in this work are implemented in this hardware system and then verified by the experimental results. / Ph. D.

Three-phase voltage source converters(VSCs) have become the converter of choice in many ac medium and high power applications due to their many advantages, including low harmonics, high power factor, and high efficiency. Modular VSCs have also been a popular choice as building blocks to achieve even higher power, primarily through converter paralleling. In addition to high power ratings, paralleling converters can also provide system redundancy through the so-called (N+1) configuration for improved availability, as well as allow easy implementation of converter power management. Interleaving can further improve the benefit of paralleling VSCs by reducing system harmonic currents, which potentially can increase system power density. There are many challenges to implement interleaving in paralleled VSCs system due to the complicated relationships in a three-phase power converter system. In addition, to maximize the benefit of interleaving, current knowledge of symmetric interleaving is not enough. More insightful understanding of this PWM technology is necessary before implement interleaving in a real paralleled VSCs system. In this dissertation, a systematic methodology to analyze and design a paralleled three-phase voltage source converters with interleaving is developed. All the analysis and proposed control methods are investigated with the goal of maximizing the benefit of interleaving based on system requirement. The dissertation is divided into five sections. Firstly, a complete analysis studying the impact of interleaving on harmonic currents in ac and dc side passive components for paralleled VSCs is presented. The analysis performed considers the effects of modulation index, pulse-width-modulation (PWM) schemes, interleaving angle and displacement angle. Based on the analysis the method to optimize interleaving angle is proposed. Secondly, the control methods for the common mode (CM) circulating current of paralleled three-phase VSCs with discontinuous space-vector modulation (DPWM) and interleaving are proposed. With the control methods, DPWM and interleaving, which is a desirable combination, but not considered possible, can be implemented together. In addition, the total flux of integrated inter-phase inductor to limit circulating current can be minimized. Thirdly, a 15 kW three phase ac-dc rectifier is built with SiC devices. With the technologies presented in this dissertation, the specific power density can be pushed more than 2kW/lb. Fourthly, the converter system with low switching frequency is studied. Special issues such as beat phenomenon and system unbalance due to non-triplen carrier ratio is explained and solved by control methods. Other than that, an improved asymmetric space vector modulation is proposed, which can significantly reduce output current total harmonic distortion (THD) for single and interleaved VSCs system. Finally, the method to protect a system with paralleled VSCs under the occurrence of internal faults is studied. After the internal fault is detected and isolated, the paralleled VSCs system can continue work. So system reliability can be increased. / Ph. D.