Simulação do enovelamento de proteínas desnaturadas utilizando o método de crescimento de cadeias em rede tetraédrica

Pós-graduação em Biofísica Molecular - IBILCE

Desafios e perspectivas do Sistema Único de Saúde (SUS) diante do Neoliberalismo

Pós-graduação em Odontologia Preventiva e Social - FOA

Tomografia eletromagnética para caracterização de reservatórios de hidrocarbonetos

Na produção de petróleo é importante o monitoramento dos parâmetros do reservatório (permeabilidade, porosidade, saturação, pressão, etc) para o seu posterior gerenciamento. A variação dos parâmetros dinâmicos do reservatório induz variações na dinâmica do fluxo no reservatório, como por exemplo, perdas na pressão, dificultando o processo de extração do óleo. A injeção de fluidos aumenta a energia interna do reservatório e incrementa a pressão, estimulando o movimento do óleo em direção aos poços de extração. A tomografia eletromagnética poço-a-poço pode se tomar em uma técnica bastante eficaz no monitoramento dos processos de injeção, considerando-se o fato de ser altamente detectável a percolação de fluidos condutivos através das rochas. Esta tese apresenta o resultado de um algoritmo de tomografia eletromagnética bastante eficaz aplicado a dados sintéticos. O esquema de imageamento assume uma simetria cilíndrica em torno de uma fonte constituída por um dipolo magnético. Durante o processo de imageamento foram usados 21 transmissores e 21 receptores distribuídos em dois poços distanciados de 100 metros. O problema direto foi resolvido pelo método dos elementos finitos aplicado à equação de Helmhotz do campo elétrico secundário. O algoritmo resultante é válido para qualquer situação, não estando sujeito às restrições impostas aos algoritmos baseados nas aproximações de Born e Rytov. Por isso, pode ser aplicado eficientemente em qualquer situação, como em meios com contrastes de condutividade elétrica variando de 2 a 100, freqüências de 0.1 a 1000.0 kHz e heterogeneidades de qualquer dimensão. O problema inverso foi resolvido por intermédio do algoritmo de Marquardt estabilizado. A solução é obtida iterativamente. Os dados invertidos, com ruído Gaussiano aditivo, são as componentes em fase e em quadratura do campo magnético vertical. Sem o uso de vínculos o problema é totalmente instável, resultando em imagens completamente borradas. Duas categorias de vínculos foram usadas: vínculos relativos, do tipo suavidade, e vínculos absolutos. Os resultados obtidos mostram a eficiência desses dois tipos de vínculos através de imagens nítidas de alta resolução. Os tomogramas mostram que a resolução é melhor na direção vertical do que na horizontal e que é também função da freqüência. A posição e a atitude da heterogeneidade é bem recuperada. Ficou também demonstrado que a baixa resolução horizontal pode ser atenuada ou até mesmo eliminada por intermédio dos vínculos.

Inversão gravimétrica usando regularização entrópica

Apresentamos um novo método para inversão gravimétrica da distribuição espacial do contraste de densidade no plano horizontal, baseado na combinação da maximização da entropia de ordem zero com a minimização da entropia de ordem um. O topo e a base das fontes gravimétricas são presumidos ser planos e horizontais e o modelo interpretativo consiste de uma malha de prismas justapostos em ambas às direções horizontais, sendo os contrastes de densidade de cada prisma os parâmetros a serem estimados. A maximização da entropia de ordem zero é similar ao vínculo de suavidade global, enquanto a minimização da entropia de ordem um favorece descontinuidades na distribuição do contraste de densidade. Conseqüentemente a combinação judiciosa de ambas pode levar a soluções apresentando regiões com contrastes de densidade virtualmente constantes (no caso de corpos homogêneos), separadas por descontinuidades abruptas. O método foi aplicado a dados sintéticos simulando a presença de corpos intrusivos em sedimentos. A comparação dos resultados com aqueles obtidos através do método da suavidade global mostra que ambos os métodos localizam as fontes igualmente bem, mas o delineamento de seus contornos é efetuado com maior resolução pela regularização entrópica, mesmo no caso de fontes com 100 m de largura separadas entre si por uma distância de 50 m. No caso em que o topo da fonte causadora não é plano nem horizontal, tanto a regularização entrópica como a suavidade global produzem resultados semelhantes. A metodologia apresentada, bem como a suavidade global foram aplicadas a dois conjuntos de dados reais produzidos por intrusões em rochas metamórficas. O primeiro é proveniente da região de Matsitama, no nordeste de Botswana, centro sul da África. A aplicação das duas metodologias a estes dados produziu resultados similares, indicando que o topo das fontes não é plano nem horizontal. O segundo conjunto provém da região da Cornuália, Inglaterra e produziu uma distribuição estimada de contraste de densidade virtualmente constante para a regularização entrópica e oscilante para a suavidade global, indicando que a fonte gravimétrica apresenta topo aproximadamente plano e horizontal, o que é confirmado pela informação geológica disponível.

Mapeamento de uma interface separando dois meios homogêneos através da reconstituição gravimétrica compacta: aplicação a dados do LEPLAC-IV

O problema do mapeamento de uma interface separando dois meios homogêneos tem sido tradicionalmente resolvido através da continuação para baixo da anomalia gravimétrica observada. Este procedimento requer a utilização de um filtro passa-baixa ou de um parâmetro de amortecimento, que tendem a diminuir a resolução do relevo estimado da interface. Além disso, o uso da continuação para baixo implica supor (desnecessariamente) que a interface é uma superfície harmônica. Desta forma, a utilização da continuação para baixo é restrita a interfaces que apresentam um relevo suave relativamente à sua profundidade média. As restrições impostas pela continuação para baixo do campo gravimétrico são reduzidas na técnica de inversão proposta para este estudo, cujo objetivo é mapear a interface crosta-manto baseada na incorporação de informações a priori sobre o mínimo momento de inércia da fonte causadora, em relação a um eixo de concentração de massa pré-estabelecido e coincidente com o topo da fonte anômala. Além da introdução de informações sobre o mínimo momento, foi incluída também a possibilidade de haver variação lateral e em profundidade de densidade em setores previamente estabelecidos, o que permite estender a aplicação desta técnica a situações geológicas mais complexas que envolvam a reconstituição de corpos justapostos, que sejam de diferentes naturezas, tais como aqueles presentes em zonas de transição crustal. O método de inversão apresentado foi avaliado em testes usando dados sintéticos e os resultados obtidos mostraram a eficiência desta técnica em recuperar corpos alongados horizontalmente, que apresentem como topo ou base, interfaces arbitrárias a serem mapeadas. Foi também constatada a eficácia do método em reconstituir corpos que comportem variação lateral de densidade que pudessem retratar situações em que se deseja investigar a natureza do embasamento em regiões de transição crustal. Com base nos resultados destes testes, a técnica foi então empregada na inversão gravimétrica de cinco perfis do LEPLAC IV que cruzam a região oceânica adjacente à margem continental sudeste brasileira. Os resultados desta aplicação permitiram inferir a natureza dos corpos que constituem o arcabouço estrutural da região onde encontram-se inseridas a Dorsal de São Paulo e a Zona de Fratura de Porto Alegre, assim como mapear a Moho subjacente.

Quantum confinement in hydrogen bond

In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach, the hydrogen bond imposes a space barrier to hydrogen and constrains its oscillatory motion. We studied the vibrational transitions through the Morse potential, for the NH and OH molecular groups inside macromolecules in situation of confinement (when hydrogen bonding is formed) and nonconfinement (when there is no hydrogen bonding). The energies were obtained through the variational method with the trial wave functions obtained from supersymmetric quantum mechanics formalism. The results indicate that it is possible to distinguish the emission peaks related to the existence of the hydrogen bonds. These analytical results were satisfactorily compared with experimental results obtained from infrared spectroscopy. (c) 2015 Wiley Periodicals, Inc.

The evolution of a Pluto-like system during the migration of the ice giants

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

How many parasites species a frog might have? determinants of parasite diversity in South American anurans

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Improved Regression Estimation of a Multivariate Relationship with Population Data on the Bivariate Relationship

Regression coefficients specify the partial effect of a regressor on the dependent variable. Sometimes the bivariate or limited multivariate relationship of that regressor variable with the dependent variable is known from population-level data. We show here that such population- level data can be used to reduce variance and bias about estimates of those regression coefficients from sample survey data. The method of constrained MLE is used to achieve these improvements. Its statistical properties are first described. The method constrains the weighted sum of all the covariate-specific associations (partial effects) of the regressors on the dependent variable to equal the overall association of one or more regressors, where the latter is known exactly from the population data. We refer to those regressors whose bivariate or limited multivariate relationships with the dependent variable are constrained by population data as being ‘‘directly constrained.’’ Our study investigates the improvements in the estimation of directly constrained variables as well as the improvements in the estimation of other regressor variables that may be correlated with the directly constrained variables, and thus ‘‘indirectly constrained’’ by the population data. The example application is to the marital fertility of black versus white women. The difference between white and black women’s rates of marital fertility, available from population-level data, gives the overall association of race with fertility. We show that the constrained MLE technique both provides a far more powerful statistical test of the partial effect of being black and purges the test of a bias that would otherwise distort the estimated magnitude of this effect. We find only trivial reductions, however, in the standard errors of the parameters for indirectly constrained regressors.

G'day Gondwana - the final accretion of a supercontinent: U-Pb ages from the post-orogenic Sao Vicente Granite, northern Paraguay Belt, Brazil

The Paraguay Belt in central South America is part of a larger chain of orogenic belts, including the Araguaia Belt to the northeast and potentially the Pampean Belt to the south, which are believed to mark the suture zone of the Clymene Ocean - interpreted amongst the youngest of the Gondwana amalgamation orogens. The post-orogenic Sao Vicente Granite crops out in the northern Paraguay Belt and cuts the basal unit of the deformed and metamorphosed Cuiaba Group. The age of this granite therefore provides a long sort after minimum age for orogenesis within the belt. Dating crystallisation of this important intrusion is challenging due to the presence of considerable common-Pb. However, based on LA-ICPMS dating of more than 100 zircons from three separate samples we interpret a robust crystallisation age for the Sao Vicente batholith at 518 +/- 4 Ma. This age constrains the termination of deformation within the Paraguay Belt and the final accretion of the supercontinent Gondwana. (C) 2011 International Association for Gondwana Research. Published by Elsevier B.V. All rights reserved.

Do Staurozoa bloom? A review of stauromedusan population biology

The study of "jellyfish blooms" provides important data toward determining the causes and consequences of these phenomena; however, the definition of "bloom" remains controversial and different concepts have been adopted in recent works. By addressing the biological and convenience definitions, this study tested the adequacy of the different concepts of "blooms" for the Class Staurozoa (Cnidaria). From seasonal monitoring data of some species of Staurozoa, we concluded that stauromedusae bloom if we used the biological concept of "bloom", which considers the life cycle and resulting changes in the abundances of these animals. By contrast, the small, benthic, inconspicuous, and non-harmful stauromedusae do not bloom if we use the convenience concept of "bloom", which constrains the events to those that humans can observe and that cause damage to human activities. In other words, the same group of organisms either is or is not capable of blooming depending on which concept of "bloom" is used. In fact, previous literature has suggested that Staurozoa could not bloom, which indicates that the study of "jellyfish blooms" can be biased, considering convenience rather than biological reasoning.

Constraining the dark energy and smoothness parameter with type Ia supernovae and gamma-ray bursts

The existence of inhomogeneities in the observed Universe modifies the distance-redshift relations thereby affecting the results of cosmological tests in comparison to the ones derived assuming spatially uniform models. By modeling the inhomogeneities through a Zeldovich-Kantowski-Dyer-Roeder approach which is phenomenologically characterized by a smoothness parameter alpha, we rediscuss the constraints on the cosmic parameters based on type Ia supernovae (SNe Ia) and gamma-ray bursts (GRBs) data. The present analysis is restricted to a flat Lambda CDM model with the reasonable assumption that Lambda does not clump. A chi(2) analysis using 557 SNe Ia data from the Union2 compilation data (R. Amanullah et al., Astrophys. J. 716, 712 (2010).) constrains the pair of parameters (Omega(m), alpha) to Omega(m) = 0.27(-0.03)(+0.08) (2 sigma) and alpha >= 0.25. A similar analysis based only on 59 Hymnium GRBs (H. Wei, J. Cosmol. Astropart. Phys. 08 (2010) 020.) constrains the matter density parameter to be Omega(m) = 0.35(-0.24)(+0.62) (2 sigma) while all values for the smoothness parameter are allowed. By performing a joint analysis, it is found that Omega(m) = 0.27(-0.06)(+0.06) and alpha >= 0.52. As a general result, although considering that current GRB data alone cannot constrain the smoothness alpha parameter, our analysis provides an interesting cosmological probe for dark energy even in the presence of inhomogeneities.

Rapporti tra tettonica e clima durante l'esumazione nelle Alpi Centrali. Evidenze dalla termocronologia e dall'analisi strutturale lungo il traforo ferroviario del Sempione

(U-Th)/He and fission-track analyses of apatite along deep-seated tunnels crossing high-relief mountain ranges offer the opportunity to investigate climate and tectonic forcing on the topographic evolution. In this study, the thermochronologic analysis of a large set of samples collected in the Simplon railway tunnel (western-central Alps; Italy and Switzerland) and along its surface trace, coupled with kinematic and structural analysis of major fault zones intersecting the tunnel, constrains the phenomena controlling the topographic and structural evolution, during the latest stage of exhumation of the Simplon Massif, and the timing in which they operated. The study area is located at the western margin of the Lepontine metamorphic dome where a complex nappe-stack pertaining to the Penninic and Ultrahelvetic domains experienced a fast exhumation from the latest Oligocene onward. The exhumation was mainly accommodated by a west-dipping low-angle detachment (the Simplon Fault Zone) which is located just 8 km to the west of the tunnel. However, along the section itself several faults related to two principal phases both with important dip-slip kinematics have been detected. Cooling rates derived from our thermocronological data vary from about 10 °C/Ma at about 10 Ma to about 35 °C/Ma in the last 5 Ma. Such increase in the cooling rate corresponds to the most important climatic change recorded in the northern hemisphere in the last 10 Ma, i.e. the shift to wetter conditions at the end of the Messinian salinity crisis and the inception of glacial cycles in the northern hemisphere. In addition, (U-Th)/He and fission-track age patterns lack of important correlation with the topography suggesting that the present-day relief morphology is the result of recent erosional dynamics. More in details, the (U-Th)/He tunnel ages show an impressive uniformity at 2 Ma, whereas cooling rates calculated at 1 Ma increase towards the two major valleys. This indicates a focusing of erosive processes in the valleys which led to the shaping of present-day topography. Structural analysis documents the presence of two phases of brittle deformation postdating the metamorphic phases in the area. The first one is directly related to the last phase of activity along the Simplon Fault Zone and is characterized by extension towards SO and vertical shortening. The young one is characterized by extension towards NO and horizontal shortening in a along the NE-SO direction. Structures related to the first phase of brittle deformation generate important variations in the older ages' dataset, until 3 Ma, suggesting that tectonics controlled rocks exhumation up to that age. Structures related to the second phase generate some variations also in the younger age dataset, highlighting the activity of faults bordering the massif and suggesting a continuous activity also after 2 Ma. However, most of (U-Th)/He tunnel ages, varying slightly around 2 Ma, document that the Simplon area has experienced primarily erosional exhumation in this time span. In conclusion, all our data suggest that in the central Italian Alps the climatic signal gradually overrode the tectonic effects after about 5 Ma, as a consequence of the climatic instability started at end of Messinian salinity crisis and improved by the onset of glaciations in the northern hemisphere.

Design methodologies of microwawe integrated circuits for satellite telecommunications

The running innovation processes of the microwave transistor technologies, used in the implementation of microwave circuits, have to be supported by the study and development of proper design methodologies which, depending on the applications, will fully exploit the technology potentialities. After the choice of the technology to be used in the particular application, the circuit designer has few degrees of freedom when carrying out his design; in the most cases, due to the technological constrains, all the foundries develop and provide customized processes optimized for a specific performance such as power, low-noise, linearity, broadband etc. For these reasons circuit design is always a “compromise”, an investigation for the best solution to reach a trade off between the desired performances. This approach becomes crucial in the design of microwave systems to be used in satellite applications; the tight space constraints impose to reach the best performances under proper electrical and thermal de-rated conditions, respect to the maximum ratings provided by the used technology, in order to ensure adequate levels of reliability. In particular this work is about one of the most critical components in the front-end of a satellite antenna, the High Power Amplifier (HPA). The HPA is the main power dissipation source and so the element which mostly engrave on space, weight and cost of telecommunication apparatus; it is clear from the above reasons that design strategies addressing optimization of power density, efficiency and reliability are of major concern. Many transactions and publications demonstrate different methods for the design of power amplifiers, highlighting the availability to obtain very good levels of output power, efficiency and gain. Starting from existing knowledge, the target of the research activities summarized in this dissertation was to develop a design methodology capable optimize power amplifier performances complying all the constraints imposed by the space applications, tacking into account the thermal behaviour in the same manner of the power and the efficiency. After a reminder of the existing theories about the power amplifier design, in the first section of this work, the effectiveness of the methodology based on the accurate control of the dynamic Load Line and her shaping will be described, explaining all steps in the design of two different kinds of high power amplifiers. Considering the trade-off between the main performances and reliability issues as the target of the design activity, we will demonstrate that the expected results could be obtained working on the characteristics of the Load Line at the intrinsic terminals of the selected active device. The methodology proposed in this first part is based on the assumption that designer has the availability of an accurate electrical model of the device; the variety of publications about this argument demonstrates that it is so difficult to carry out a CAD model capable to taking into account all the non-ideal phenomena which occur when the amplifier operates at such high frequency and power levels. For that, especially for the emerging technology of Gallium Nitride (GaN), in the second section a new approach for power amplifier design will be described, basing on the experimental characterization of the intrinsic Load Line by means of a low frequency high power measurements bench. Thanks to the possibility to develop my Ph.D. in an academic spin-off, MEC – Microwave Electronics for Communications, the results of this activity has been applied to important research programs requested by space agencies, with the aim support the technological transfer from universities to industrial world and to promote a science-based entrepreneurship. For these reasons the proposed design methodology will be explained basing on many experimental results.

Modulation Techniques for Multi-Phase Converters and Control Strategies for Multi-Phase Electric Drives

The ever-increasing spread of automation in industry puts the electrical engineer in a central role as a promoter of technological development in a sector such as the use of electricity, which is the basis of all the machinery and productive processes. Moreover the spread of drives for motor control and static converters with structures ever more complex, places the electrical engineer to face new challenges whose solution has as critical elements in the implementation of digital control techniques with the requirements of inexpensiveness and efficiency of the final product. The successfully application of solutions using non-conventional static converters awake an increasing interest in science and industry due to the promising opportunities. However, in the same time, new problems emerge whose solution is still under study and debate in the scientific community During the Ph.D. course several themes have been developed that, while obtaining the recent and growing interest of scientific community, have much space for the development of research activity and for industrial applications. The first area of research is related to the control of three phase induction motors with high dynamic performance and the sensorless control in the high speed range. The management of the operation of induction machine without position or speed sensors awakes interest in the industrial world due to the increased reliability and robustness of this solution combined with a lower cost of production and purchase of this technology compared to the others available in the market. During this dissertation control techniques will be proposed which are able to exploit the total dc link voltage and at the same time capable to exploit the maximum torque capability in whole speed range with good dynamic performance. The proposed solution preserves the simplicity of tuning of the regulators. Furthermore, in order to validate the effectiveness of presented solution, it is assessed in terms of performance and complexity and compared to two other algorithm presented in literature. The feasibility of the proposed algorithm is also tested on induction motor drive fed by a matrix converter. Another important research area is connected to the development of technology for vehicular applications. In this field the dynamic performances and the low power consumption is one of most important goals for an effective algorithm. Towards this direction, a control scheme for induction motor that integrates within a coherent solution some of the features that are commonly required to an electric vehicle drive is presented. The main features of the proposed control scheme are the capability to exploit the maximum torque in the whole speed range, a weak dependence on the motor parameters, a good robustness against the variations of the dc-link voltage and, whenever possible, the maximum efficiency. The second part of this dissertation is dedicated to the multi-phase systems. This technology, in fact, is characterized by a number of issues worthy of investigation that make it competitive with other technologies already on the market. Multiphase systems, allow to redistribute power at a higher number of phases, thus making possible the construction of electronic converters which otherwise would be very difficult to achieve due to the limits of present power electronics. Multiphase drives have an intrinsic reliability given by the possibility that a fault of a phase, caused by the possible failure of a component of the converter, can be solved without inefficiency of the machine or application of a pulsating torque. The control of the magnetic field spatial harmonics in the air-gap with order higher than one allows to reduce torque noise and to obtain high torque density motor and multi-motor applications. In one of the next chapters a control scheme able to increase the motor torque by adding a third harmonic component to the air-gap magnetic field will be presented. Above the base speed the control system reduces the motor flux in such a way to ensure the maximum torque capability. The presented analysis considers the drive constrains and shows how these limits modify the motor performance. The multi-motor applications are described by a well-defined number of multiphase machines, having series connected stator windings, with an opportune permutation of the phases these machines can be independently controlled with a single multi-phase inverter. In this dissertation this solution will be presented and an electric drive consisting of two five-phase PM tubular actuators fed by a single five-phase inverter will be presented. Finally the modulation strategies for a multi-phase inverter will be illustrated. The problem of the space vector modulation of multiphase inverters with an odd number of phases is solved in different way. An algorithmic approach and a look-up table solution will be proposed. The inverter output voltage capability will be investigated, showing that the proposed modulation strategy is able to fully exploit the dc input voltage either in sinusoidal or non-sinusoidal operating conditions. All this aspects are considered in the next chapters. In particular, Chapter 1 summarizes the mathematical model of induction motor. The Chapter 2 is a brief state of art on three-phase inverter. Chapter 3 proposes a stator flux vector control for a three- phase induction machine and compares this solution with two other algorithms presented in literature. Furthermore, in the same chapter, a complete electric drive based on matrix converter is presented. In Chapter 4 a control strategy suitable for electric vehicles is illustrated. Chapter 5 describes the mathematical model of multi-phase induction machines whereas chapter 6 analyzes the multi-phase inverter and its modulation strategies. Chapter 7 discusses the minimization of the power losses in IGBT multi-phase inverters with carrier-based pulse width modulation. In Chapter 8 an extended stator flux vector control for a seven-phase induction motor is presented. Chapter 9 concerns the high torque density applications and in Chapter 10 different fault tolerant control strategies are analyzed. Finally, the last chapter presents a positioning multi-motor drive consisting of two PM tubular five-phase actuators fed by a single five-phase inverter.