Avaliação de compostos com actividade inibidora da glicoproteína-P

A resistência a múltiplos fármacos é um grande problema na terapia anti-cancerígena, sendo a glicoproteína-P (P-gp) uma das responsáveis por esta resistência. A realização deste trabalho incidiu principalmente no desenvolvimento de modelos matemáticos/estatísticos e “químicos”. Para os modelos matemáticos/estatísticos utilizamos métodos de Machine Learning como o Support Vector Machine (SVM) e o Random Forest, (RF) em relação aos modelos químicos utilizou-se farmacóforos. Os métodos acima mencionados foram aplicados a diversas proteínas P-gp, p53 e complexo p53-MDM2, utilizando duas famílias: as pifitrinas para a p53 e flavonóides para P-gp e, em menor medida, um grupo diversificado de moléculas de diversas famílias químicas. Nos modelos obtidos pelo SVM quando aplicados à P-gp e à família dos flavonóides, obtivemos bons valores através do kernel Radial Basis Function (RBF), com precisão de conjunto de treino de 94% e especificidade de 96%. Quanto ao conjunto de teste com previsão de 70% e especificidade de 67%, sendo que o número de falsos negativos foi o mais baixo comparativamente aos restantes kernels. Aplicando o RF à família dos flavonóides verificou-se que o conjunto de treino apresenta 86% de precisão e uma especificidade de 90%, quanto ao conjunto de teste obtivemos uma previsão de 70% e uma especificidade de 60%, existindo a particularidade de o número de falsos negativos ser o mais baixo. Repetindo o procedimento anterior (RF) e utilizando um total de 63 descritores, os resultados apresentaram valores inferiores obtendo-se para o conjunto de treino 79% de precisão e 82% de especificidade. Aplicando o modelo ao conjunto de teste obteve-se 70% de previsão e 60% de especificidade. Comparando os dois métodos, escolhemos o método SVM com o kernel RBF como modelo que nos garante os melhores resultados de classificação. Aplicamos o método SVM à P-gp e a um conjunto de moléculas não flavonóides que são transportados pela P-gp, obteve-se bons valores através do kernel RBF, com precisão de conjunto de treino de 95% e especificidade de 93%. Quanto ao conjunto de teste, obtivemos uma previsão de 70% e uma especificidade de 69%, existindo a particularidade de o número de falsos negativos ser o mais baixo. Aplicou-se o método do farmacóforo a três alvos, sendo estes, um conjunto de inibidores flavonóides e de substratos não flavonóides para a P-gp, um grupo de piftrinas para a p53 e um conjunto diversificado de estruturas para a ligação da p53-MDM2. Em cada um dos quatro modelos de farmacóforos obtidos identificou-se três características, sendo que as características referentes ao anel aromático e ao dador de ligações de hidrogénio estão presentes em todos os modelos obtidos. Realizando o rastreio em diversas bases de dados utilizando os modelos, obtivemos hits com uma grande diversidade estrutural.

Aplicações de instrumentação virtual em metrologia e qualidade

Com a evolução constante da tecnologia, também a ciência da medição, ou Metrologia, necessita de processos de medição mais exatos e fiáveis, por vezes automatizados, de modo a ser possível fornecer informações mais corretas sobre uma determinada grandeza física. Entre estas informações destaca-se a incerteza de medição, que permite ao utilizador ter uma estimativa sobre qual o valor final da grandeza física medida, que com processos de medição mais complexos, tornam a sua obtenção mais difícil, sendo necessário, por vezes, a utilização de métodos computacionais. Tendo isto em conta, com esta dissertação pretende-se abordar o problema da automatização de processos de medição, bem como da obtenção de incertezas de medição que reflitam a natureza da grandeza física medida através de métodos computacionais. De modo a automatizar um processo de medição, mais concretamente da calibração de manómetros, utilizou-se o LabView para criar um instrumento virtual que permitisse ao utilizador, de forma simples e intuitiva, realizar o procedimento de calibração. Também se realizou outro instrumento virtual, de modo a permitir a obtenção simultânea de dados provenientes de dois equipamentos diferentes. Relativamente às incertezas de medição, utilizou-se o Método de Monte Carlo, implementado em MATLAB e Excel, de modo a obter o valor destas para a calibração de manómetros, de uma câmara geradora de humidade relativa e de um higrómetro de ponto de orvalho, sendo que os dois últimos possuem um modelo matemático complexo, sendo a análise analítica mais complexa e morosa. Tendo em conta os resultados obtidos, é possível afirmar que a criação de instrumentação virtual permite a adaptação, de uma forma simples, de vários processos de medição, tornando-os mais eficientes para além de reduzirem o erro do operador. Por outro lado, também é possível observar que a utilização de métodos computacionais, neste caso o Método de Monte Carlo, para estudo de incertezas de medição é uma mais valia, comparativamente ao GUM, permitindo umaa análise rápida e fiável de modelos matemáticos complexos.

On the iteration of Katsuno and Mendelzon update

In this dissertation we present a model for iteration of Katsuno and Mendelzon’s Update, inspired in the developments for iteration in AGM belief revision. We adapt Darwiche and Pearls’ postulates of iterated belief revision to update (as well as the independence postulate proposed in [BM06, JT07]) and show two families of such operators, based in natural [Bou96] and lexicographic revision [Nay94a, NPP03]. In all cases, we provide a possible worlds semantics of the models.

Previsão do índice bovespa por meio de redes neurais artificiais: uma análise comparada aos métodos tradicionais de séries de tempo

Forecast is the basis for making strategic, tactical and operational business decisions. In financial economics, several techniques have been used to predict the behavior of assets over the past decades.Thus, there are several methods to assist in the task of time series forecasting, however, conventional modeling techniques such as statistical models and those based on theoretical mathematical models have produced unsatisfactory predictions, increasing the number of studies in more advanced methods of prediction. Among these, the Artificial Neural Networks (ANN) are a relatively new and promising method for predicting business that shows a technique that has caused much interest in the financial environment and has been used successfully in a wide variety of financial modeling systems applications, in many cases proving its superiority over the statistical models ARIMA-GARCH. In this context, this study aimed to examine whether the ANNs are a more appropriate method for predicting the behavior of Indices in Capital Markets than the traditional methods of time series analysis. For this purpose we developed an quantitative study, from financial economic indices, and developed two models of RNA-type feedfoward supervised learning, whose structures consisted of 20 data in the input layer, 90 neurons in one hidden layer and one given as the output layer (Ibovespa). These models used backpropagation, an input activation function based on the tangent sigmoid and a linear output function. Since the aim of analyzing the adherence of the Method of Artificial Neural Networks to carry out predictions of the Ibovespa, we chose to perform this analysis by comparing results between this and Time Series Predictive Model GARCH, developing a GARCH model (1.1).Once applied both methods (ANN and GARCH) we conducted the results' analysis by comparing the results of the forecast with the historical data and by studying the forecast errors by the MSE, RMSE, MAE, Standard Deviation, the Theil's U and forecasting encompassing tests. It was found that the models developed by means of ANNs had lower MSE, RMSE and MAE than the GARCH (1,1) model and Theil U test indicated that the three models have smaller errors than those of a naïve forecast. Although the ANN based on returns have lower precision indicator values than those of ANN based on prices, the forecast encompassing test rejected the hypothesis that this model is better than that, indicating that the ANN models have a similar level of accuracy . It was concluded that for the data series studied the ANN models show a more appropriate Ibovespa forecasting than the traditional models of time series, represented by the GARCH model

Análise comparativa entre simuladores de linha de fluxo e diferenças finitas para um reservatório de petróleo submetido a injeção de água

Water injection is the most widely used method for supplementary recovery in many oil fields due to various reasons, like the fact that water is an effective displacing agent of low viscosity oils, the water injection projects are relatively simple to establish and the water availability at a relatively low cost. For design of water injection projects is necessary to do reservoir studies in order to define the various parameters needed to increase the effectiveness of the method. For this kind of study can be used several mathematical models classified into two general categories: analytical or numerical. The present work aims to do a comparative analysis between the results presented by flow lines simulator and conventional finite differences simulator; both types of simulators are based on numerical methods designed to model light oil reservoirs subjected to water injection. Therefore, it was defined two reservoir models: the first one was a heterogeneous model whose petrophysical properties vary along the reservoir and the other one was created using average petrophysical properties obtained from the first model. Comparisons were done considering that the results of these two models were always in the same operational conditions. Then some rock and fluid parameters have been changed in both models and again the results were compared. From the factorial design, that was done to study the sensitivity analysis of reservoir parameters, a few cases were chosen to study the role of water injection rate and the vertical position of wells perforations in production forecast. It was observed that the results from the two simulators are quite similar in most of the cases; differences were found only in those cases where there was an increase in gas solubility ratio of the model. Thus, it was concluded that in flow simulation of reservoirs analogous of those now studied, mainly when the gas solubility ratio is low, the conventional finite differences simulator may be replaced by flow lines simulator the production forecast is compatible but the computational processing time is lower.

Análise fractal da vasculatura arteriolar e venular da retina em pessoas sem doença ocular

Although it has been suggested that retinal vasculature is a diffusion-limited aggregation (DLA) fractal, no study has been dedicated to standardizing its fractal analysis . The aims of this project was to standardize a method to estimate the fractal dimensions of retinal vasculature and to characterize their normal values; to determine if this estimation is dependent on skeletization and on segmentation and calculation methods; to assess the suitability of the DLA model and to determine the usefulness of log-log graphs in characterizing vasculature fractality . To achieve these aims, the information, mass-radius and box counting dimensions of 20 eyes vasculatures were compared when the vessels were manually or computationally segmented; the fractal dimensions of the vasculatures of 60 eyes of healthy volunteers were compared with those of 40 DLA models and the log-log graphs obtained were compared with those of known fractals and those of non-fractals. The main results were: the fractal dimensions of vascular trees were dependent on segmentation methods and dimension calculation methods, but there was no difference between manual segmentation and scale-space, multithreshold and wavelet computational methods; the means of the information and box dimensions for arteriolar trees were 1.29. against 1.34 and 1.35 for the venular trees; the dimension for the DLA models were higher than that for vessels; the log-log graphs were straight, but with varying local slopes, both for vascular trees and for fractals and non-fractals. This results leads to the following conclusions: the estimation of the fractal dimensions for retinal vasculature is dependent on its skeletization and on the segmentation and calculation methods; log-log graphs are not suitable as a fractality test; the means of the information and box counting dimensions for the normal eyes were 1.47 and 1.43, respectively, and the DLA model with optic disc seeding is not sufficient for retinal vascularization modeling

Fragmentos do pensamento dialético na história da construção das ciências da natureza

Este trabalho tem por objetivo identificar uma possível inclinação das ciências naturais em direção ao materialismo dialético. Para tanto, procura-se apresentar a história da dialética a partir da discussão racionalismo/empirismo moderno e seus desdobramentos até as tendências dialéticos contemporâneas. Os autores discutidos são Kant, Hegel, Marx, Engels, Lenin, Horkheimer, Marcuse, Habermas, Bachelard e suas escolas epistemológicas, completadas por Althusser, Lefebvre e Kedrov. Ao lado desses autores discutem-se outros, das duas últimas décadas, procurando extrair-lhes o olhar dialético, oculto em seus discursos acerca da ciência do fim do século. Também se procura encontrar na mecânica quântica, nos fractais, na lógica para-consistente, nos modelos matemáticos e na biologia antideterminista, argumentos para existência de uma forma de abordagem dialética da natureza. Por último, procura-se refletir acerca dos motivos da resistência ao método dialético apresentado pela maioria dos cientistas ocidentais e, sua possível superação.

Efeitos ambientais e genéticos sobre escores visuais e ganho de peso à desmama de animais formadores da raça Brangus

Estudaram-se os efeitos da idade da vaca ao parto e da idade do animal à desmama, bem como os efeitos genéticos aditivo direto e materno e da heterozigose individual, sobre os escores visuais de conformação, precocidade e musculatura e ganho de peso do nascimento à desmama, de animais formadores da raça Brangus. Foram analisados 53.683, 45.136, 52.937 e 56.471 dados de conformação, precocidade e musculatura à desmama e ganho de peso do nascimento à desmama, respectivamente, de animais nascidos entre 1986 e 2002, provenientes do arquivo zootécnico da empresa Gensys Consultores Associados S/C Ltda. Os efeitos de ambiente e genéticos sobre as características em estudo foram analisados pelo método de quadrados mínimos usando modelos matemáticos que incluíram grupo de contemporâneos como variável classificatória e a idade da vaca ao parto, a idade do animal à desmama e os efeitos aditivo direto e materno e da heterozigose individual como co-variáveis. Todos os efeitos incluídos nos modelos afetaram significativamente as características avaliadas, com exceção do efeito da idade da vaca ao parto sobre o ganho de peso do nascimento à desmama e do efeito aditivo materno sobre todas as características estudadas. Os efeitos ambientais e genéticos revelaram-se importantes fontes de variação para as características estudadas e devem, pois, ser considerados na distinção e comparação dos animais para seleção.

Growth analysis of sweet pepper cultivated in coconut fiber in a greenhouse

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

Uma análise sociodemográfica dos cuidadores formais de idosos institucionalizados no município de Natal/RN, 2012

The aging population and individual have been the subject of a multitude of studies nowadays. This is probably due to the impact of this phenomenon in various sectors of society, like social security, social assistance and public health. The process of aging of the individual imply the demand for specific services, considering the limitations and vulnerabilities of the individual at that stage of life cycle. The growth of the elderly contingent in the last decades raises challenges for policymakers, the family and also for the society at large. In this scenario, long-stay institutions for the elderly (LSIEs) appear as an option to aid and support the elderly and their family, assisting in all or part in the activities of daily living and self-care. Inside these LSIEs we find the professional responsible for the direct care of the elderly, the formal caregiver. In this context, this dissertation presents two main objectives: an analysis of the phenomenon of population aging in a given brazilian municipality Natal / RN, based on the Demographic Censuses of 2000 e 2010; and a social, demographic and economic characterization of the Formal caregiver for the institutionalized elderly in the municipality, evaluating aspects of his quality of life and also analyzing the institutions where they are inserted. Furthermore, we intend to identify demographic, socioeconomic and quality of life factors that are correlated with caregivers quitting the job. The data used in the second part of this work comes from the research project named Long-Stay Institutions for Elderly: abandonment or a family need? . This survey interviewed 92 caregivers in eleven LSIEs in Natal/RN. In the data treatment logistic regressions, cluster analysis and statistical tests were used. The survey revealed that aging in Natal is more pronounced in the older, more traditional districts: Petrópolis, Lagoa Seca and Tirol. It also allowed a broad characterization of the formal caregivers in LSIEs. Most of these professionals are female. The educational level is predominantly complete high school and more. Most caregivers reported being married or in union, or have ever been in a union. Family monthly income is under three times the minimum wage. The mean age is of 37.4 years. The mean time of work as a caregiver was 5.93 years. The associations showed that being woman, not being single, having caregiving training and physical limitations (regarding quality of life) are related to wanting to quit the caregiving job. As for the characterization of the LSIEs, it was found that the philanthropic ones are older and have most (62.5%) of the institutionalized elderly. The institutions managers gave social interaction and affinity with the elderly as the main criteria with which to evaluate and hire caregivers. It is intended with this study to contribute to improving the quality of life of the elderly and their caregiver, providing information on aspects of institutionalization of elderly both in the philanthropic and particular institutions, in Natal/RN; this dissertation may also be used as a starting point for later works

Proteção constitucional do trabalhador portador de incapacidade laboral

Social security has constitutional protection and encompasses health policies, social security and welfare, which are explicitly recognized as a fundamental social right. When workers suffering from work disability are unable to earn income with your work force to support themselves and their families. The State, through the public welfare, contributory and compulsory, has a duty to protect workers in times of misfortune, replacing these income through the provision of social security benefits. Disability the employee has a higher degree of vulnerability, and the granting of disability claims a right sensitive, which can‟t suffer postponements, lest cause legal uncertainty and violating the dignity of the human person. There isn‟t legal definition of disability. The main purpose of the study is the constitutional protection of the worker carrying work disability, seeking to highlight the factors affecting work disability and proposing the use of objective criteria for the grant of social security benefits, because the criteria used are purely medical, based the subjectivity and agency of medical assessor, which hinders the judicial and administrative control of the State. At the time of preparing the expert report, the expert should not consider only tangible aspects, but also social and environmental issues, which contribute to the inability to work and therefore should be considered in granting social security benefits. The granting of social security benefits for incapacity for work is intended to prevent or lessen the impact of individual and social risks in relation to the worker incapacitated, ensuring that the constitutional protection to be effective. The presumed inability, the institute reversing the burden of proof and free conviction motivated are important tools for resolving conflicts between the insured and welfare, finding basis in the insured`s vulnerability, sensitivity and little reliance right at issue in relation to the employee social pension

Progresso da ferrugem tropical do milho (Zea mays L.), sob diferentes tratamentos fungicidas

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Melhoria da segurança pública: uma proposta para alocação de unidades policiais utilizando o modelo das p-medianas e do caixeiro viajante

The decrease in crime is one of the core issues that cause concern in society today. This study aims to propose improvements to public safety from the choice of points to the location of police units, ie the points which support the car and the police. For this, three models were developed in order to assist decision making regarding the best placement of these bases. The Model of Police Units Routing has the intention to analyze the current configuration of a given region and develop optimal routes for round preventative. The Model of Allocation and Routing for New Police Units (MARNUP) used the model of facility location called p-median weighted and traveling salesman problem (TSP) combined aiming an ideal setting for regions that do not yet have support points or to assess how far the distribution is present in relation to that found in solution. The Model Redefinition and Routing Unit Police (MRRUP) seek to change the current positioning taking into account the budgetary constraints of the decision maker. To verify the applicability of these models we used data from 602 points to instances of police command that is responsible for the capital city of Natal. The city currently has 31 police units for 36 of these 19 districts and police have some assistance. This reality can lead to higher costs and higher response times for answering emergency calls. The results of the models showed that in an ideal situation it is possible to define a distance of 500 km/round, whereas in this 900 km are covered by approximately round. However, a change from three-point lead reduced to 700 km / round which represents a decrease of 22% in the route. This reduction should help improve response time to emergency care, improving the level of service provided by the increase of solved cases, reducing police shifts and routing preventive patrols

Um sistema para estimação da vazão de gás de poços produzindo por Plunger Lift para vaso separador de teste em plataformas de petróleo

This work intends to analyze the behavior of the gas flow of plunger lift wells producing to well testing separators in offshore production platforms to aim a technical procedure to estimate the gas flow during the slug production period. The motivation for this work appeared from the expectation of some wells equipped with plunger lift method by PETROBRAS in Ubarana sea field located at Rio Grande do Norte State coast where the produced fluids measurement is made in well testing separators at the platform. The oil artificial lift method called plunger lift is used when the available energy of the reservoir is not high enough to overcome all the necessary load losses to lift the oil from the bottom of the well to the surface continuously. This method consists, basically, in one free piston acting as a mechanical interface between the formation gas and the produced liquids, greatly increasing the well s lifting efficiency. A pneumatic control valve is mounted at the flow line to control the cycles. When this valve opens, the plunger starts to move from the bottom to the surface of the well lifting all the oil and gas that are above it until to reach the well test separator where the fluids are measured. The well test separator is used to measure all the volumes produced by the well during a certain period of time called production test. In most cases, the separators are designed to measure stabilized flow, in other words, reasonably constant flow by the use of level and pressure electronic controllers (PLC) and by assumption of a steady pressure inside the separator. With plunger lift wells the liquid and gas flow at the surface are cyclical and unstable what causes the appearance of slugs inside the separator, mainly in the gas phase, because introduce significant errors in the measurement system (e.g.: overrange error). The flow gas analysis proposed in this work is based on two mathematical models used together: i) a plunger lift well model proposed by Baruzzi [1] with later modifications made by Bolonhini [2] to built a plunger lift simulator; ii) a two-phase separator model (gas + liquid) based from a three-phase separator model (gas + oil + water) proposed by Nunes [3]. Based on the models above and with field data collected from the well test separator of PUB-02 platform (Ubarana sea field) it was possible to demonstrate that the output gas flow of the separator can be estimate, with a reasonable precision, from the control signal of the Pressure Control Valve (PCV). Several models of the System Identification Toolbox from MATLAB® were analyzed to evaluate which one better fit to the data collected from the field. For validation of the models, it was used the AIC criterion, as well as a variant of the cross validation criterion. The ARX model performance was the best one to fit to the data and, this way, we decided to evaluate a recursive algorithm (RARX) also with real time data. The results were quite promising that indicating the viability to estimate the output gas flow rate from a plunger lift well producing to a well test separator, with the built-in information of the control signal to the PCV

Um ambiente computacional para modelagem simbólica de sistemas físicos lineares

Este trabalho propõe um ambiente computacional aplicado ao ensino de sistemas de controle, denominado de ModSym. O software implementa uma interface gráfica para a modelagem de sistemas físicos lineares e mostra, passo a passo, o processamento necessário à obtenção de modelos matemáticos para esses sistemas. Um sistema físico pode ser representado, no software, de três formas diferentes. O sistema pode ser representado por um diagrama gráfico a partir de elementos dos domínios elétrico, mecânico translacional, mecânico rotacional e hidráulico. Pode também ser representado a partir de grafos de ligação ou de diagramas de fluxo de sinal. Uma vez representado o sistema, o ModSym possibilita o cálculo de funções de transferência do sistema na forma simbólica, utilizando a regra de Mason. O software calcula também funções de transferência na forma numérica e funções de sensibilidade paramétrica. O trabalho propõe ainda um algoritmo para obter o diagrama de fluxo de sinal de um sistema físico baseado no seu grafo de ligação. Este algoritmo e a metodologia de análise de sistemas conhecida por Network Method permitiram a utilização da regra de Mason no cálculo de funções de transferência dos sistemas modelados no software