Reengenharia de processos na indústria farmacêutica

Dissertação apresentada para obtenção do Grau de Mestre em Engenharia e Gestão Industrial pela Universidade Nova de Lisboa, Faculdade de Ciências e Tecnologia

Conditional probability applied to the definition of limestone geochemical facies: A new Methodological Approach

A new method, based on linear correlation and phase diagrams was successfully developed for processes like the sedimentary process, where the deposition phase can have different time duration - represented by repeated values in a series - and where the erosion can play an important rule deleting values of a series. The sampling process itself can be the cause of repeated values - large strata twice sampled - or deleted values: tiny strata fitted between two consecutive samples. What we developed was a mathematical procedure which, based upon the depth chemical composition evolution, allows the establishment of frontiers as well as the periodicity of different sedimentary environments. The basic tool isn't more than a linear correlation analysis which allow us to detect the existence of eventual evolution rules, connected with cyclical phenomena within time series (considering the space assimilated to time), with the final objective of prevision. A very interesting discovery was the phenomenon of repeated sliding windows that represent quasi-cycles of a series of quasi-periods. An accurate forecast can be obtained if we are inside a quasi-cycle (it is possible to predict the other elements of the cycle with the probability related with the number of repeated and deleted points). We deal with an innovator methodology, reason why it's efficiency is being tested in some case studies, with remarkable results that shows it's efficacy. Keywords: sedimentary environments, sequence stratigraphy, data analysis, time-series, conditional probability.

New findings on the dynamics of HIV and TB coinfection models

In this paper we study a model for HIV and TB coinfection. We consider the integer order and the fractional order versions of the model. Let α∈[0.78,1.0] be the order of the fractional derivative, then the integer order model is obtained for α=1.0. The model includes vertical transmission for HIV and treatment for both diseases. We compute the reproduction number of the integer order model and HIV and TB submodels, and the stability of the disease free equilibrium. We sketch the bifurcation diagrams of the integer order model, for variation of the average number of sexual partners per person and per unit time, and the tuberculosis transmission rate. We analyze numerical results of the fractional order model for different values of α, including α=1. The results show distinct types of transients, for variation of α. Moreover, we speculate, from observation of the numerical results, that the order of the fractional derivative may behave as a bifurcation parameter for the model. We conclude that the dynamics of the integer and the fractional order versions of the model are very rich and that together these versions may provide a better understanding of the dynamics of HIV and TB coinfection.

Classification Performance of Multilayer Perceptrons with Different Risk Functionals

In the present paper we assess the performance of information-theoretic inspired risks functionals in multilayer perceptrons with reference to the two most popular ones, Mean Square Error and Cross-Entropy. The information-theoretic inspired risks, recently proposed, are: HS and HR2 are, respectively, the Shannon and quadratic Rényi entropies of the error; ZED is a risk reflecting the error density at zero errors; EXP is a generalized exponential risk, able to mimic a wide variety of risk functionals, including the information-thoeretic ones. The experiments were carried out with multilayer perceptrons on 35 public real-world datasets. All experiments were performed according to the same protocol. The statistical tests applied to the experimental results showed that the ubiquitous mean square error was the less interesting risk functional to be used by multilayer perceptrons. Namely, mean square error never achieved a significantly better classification performance than competing risks. Cross-entropy and EXP were the risks found by several tests to be significantly better than their competitors. Counts of significantly better and worse risks have also shown the usefulness of HS and HR2 for some datasets.

Spectral invariants of periodic nonautonomous discrete dynamical systems

For an interval map, the poles of the Artin-Mazur zeta function provide topological invariants which are closely connected to topological entropy. It is known that for a time-periodic nonautonomous dynamical system F with period p, the p-th power [zeta(F) (z)](p) of its zeta function is meromorphic in the unit disk. Unlike in the autonomous case, where the zeta function zeta(f)(z) only has poles in the unit disk, in the p-periodic nonautonomous case [zeta(F)(z)](p) may have zeros. In this paper we introduce the concept of spectral invariants of p-periodic nonautonomous discrete dynamical systems and study the role played by the zeros of [zeta(F)(z)](p) in this context. As we will see, these zeros play an important role in the spectral classification of these systems.

Dynamical Stability and Predictability of Football Players: The Study of One Match

The game of football demands new computational approaches to measure individual and collective performance. Understanding the phenomena involved in the game may foster the identification of strengths and weaknesses, not only of each player, but also of the whole team. The development of assertive quantitative methodologies constitutes a key element in sports training. In football, the predictability and stability inherent in the motion of a given player may be seen as one of the most important concepts to fully characterise the variability of the whole team. This paper characterises the predictability and stability levels of players during an official football match. A Fractional Calculus (FC) approach to define a player’s trajectory. By applying FC, one can benefit from newly considered modeling perspectives, such as the fractional coefficient, to estimate a player’s predictability and stability. This paper also formulates the concept of attraction domain, related to the tactical region of each player, inspired by stability theory principles. To compare the variability inherent in the player’s process variables (e.g., distance covered) and to assess his predictability and stability, entropy measures are considered. Experimental results suggest that the most predictable player is the goalkeeper while, conversely, the most unpredictable players are the midfielders. We also conclude that, despite his predictability, the goalkeeper is the most unstable player, while lateral defenders are the most stable during the match.

Fractional Order Generalized Information

This paper formulates a novel expression for entropy inspired in the properties of Fractional Calculus. The characteristics of the generalized fractional entropy are tested both in standard probability distributions and real world data series. The results reveal that tuning the fractional order allow an high sensitivity to the signal evolution, which is useful in describing the dynamics of complex systems. The concepts are also extended to relative distances and tested with several sets of data, confirming the goodness of the generalization.

Text classification using compression-based dissimilarity measures

Arguably, the most difficult task in text classification is to choose an appropriate set of features that allows machine learning algorithms to provide accurate classification. Most state-of-the-art techniques for this task involve careful feature engineering and a pre-processing stage, which may be too expensive in the emerging context of massive collections of electronic texts. In this paper, we propose efficient methods for text classification based on information-theoretic dissimilarity measures, which are used to define dissimilarity-based representations. These methods dispense with any feature design or engineering, by mapping texts into a feature space using universal dissimilarity measures; in this space, classical classifiers (e.g. nearest neighbor or support vector machines) can then be used. The reported experimental evaluation of the proposed methods, on sentiment polarity analysis and authorship attribution problems, reveals that it approximates, sometimes even outperforms previous state-of-the-art techniques, despite being much simpler, in the sense that they do not require any text pre-processing or feature engineering.

From weak Allee effect to no Allee effect in Richards’ growth models

Population dynamics have been attracting interest since many years. Among the considered models, the Richards’ equations remain one of the most popular to describe biological growth processes. On the other hand, Allee effect is currently a major focus of ecological research, which occurs when positive density dependence dominates at low densities. In this chapter, we propose the dynamical study of classes of functions based on Richards’ models describing the existence or not of Allee effect. We investigate bifurcation structures in generalized Richards’ functions and we look for the conditions in the (β, r) parameter plane for the existence of a weak Allee effect region. We show that the existence of this region is related with the existence of a dovetail structure. When the Allee limit varies, the weak Allee effect region disappears when the dovetail structure also disappears. Consequently, we deduce the transition from the weak Allee effect to no Allee effect to this family of functions. To support our analysis, we present fold and flip bifurcation curves and numerical simulations of several bifurcation diagrams.

Spectral and dynamical invariants in a complete clustered network

The main result of this work is a new criterion for the formation of good clusters in a graph. This criterion uses a new dynamical invariant, the performance of a clustering, that characterizes the quality of the formation of clusters. We prove that the growth of the dynamical invariant, the network topological entropy, has the effect of worsening the quality of a clustering, in a process of cluster formation by the successive removal of edges. Several examples of clustering on the same network are presented to compare the behavior of other parameters such as network topological entropy, conductance, coefficient of clustering and performance of a clustering with the number of edges in a process of clustering by successive removal.

Sistema de monitorização da qualidade e consumo de energia elétrica

A racionalização do consumo de energia elétrica é um tema que assume uma importância crescente nos dias de hoje. O elevado consumo de energia, principalmente a nível comercial/industrial, tem motivado o aparecimento de questões políticas, económico-sociais e ambientais que visam a sensibilização dos consumidores para a gestão eficiente dos seus recursos. Neste sentido, as empresas e instituições têm demonstrado interesse em encontrar soluções de gestão nas suas instalações elétricas que permitam a monitorização de indicadores e a previsão de falhas cuja ocorrência acarreta elevados custos de reparação/substituição, de paragem de produção, entre outros. O estudo aqui apresentado surge no âmbito de um projeto académico, cuja finalidade se prende com a implementação de um sistema de monitorização da qualidade e consumo de energia elétrica no Instituto Superior de Engenharia do Porto (ISEP). Baseado numa rede de dispositivos analisadores de parâmetros de energia elétrica, estes equipamentos de medição dispõem de software próprio, o GridVis, que permite o acesso remoto, através de uma rede Ethernet, aos parâmetros de energia (grandezas físicas elétricas). O sistema desenvolvido é capaz de identificar parâmetros de consumo de energia anómalos e emitir alertas, pré-programados em linguagem C++ e diagrama de blocos. Permite, por exemplo, detetar um consumo instantâneo excessivo de energia e alertar a sua ocorrência. As páginas de acesso aos parâmetros medidos por cada dispositivo são acessíveis através de uma interface gráfica desenvolvida em Adobe Flash que inclui, de uma forma simples e organizada, a informação relativa à distribuição dos dispositivos de medição. Num contexto de expansão deste projeto para outros edifícios do ISEP, a solução desenvolvida encontra-se preparada para ser adaptada em qualquer local, desde que reúna certos requisitos.

Evolution of Drug Resistance: Insight on TEM β-Lactamases Structure and Activity and β-Lactam Antibiotics

Since the discovery of the first penicillin bacterial resistance to β-lactam antibiotics has spread and evolved promoting new resistances to pathogens. The most common mechanism of resistance is the production of β-lactamases that have spread thorough nature and evolve to complex phenotypes like CMT type enzymes. New antibiotics have been introduced in clinical practice, and therefore it becomes necessary a concise summary about their molecular targets, specific use and other properties. β-lactamases are still a major medical concern and they have been extensively studied and described in the scientific literature. Several authors agree that Glu166 should be the general base and Ser70 should perform the nucleophilic attack to the carbon of the carbonyl group of the β-lactam ring. Nevertheless there still is controversy on their catalytic mechanism. TEMs evolve at incredible pace presenting more complex phenotypes due to their tolerance to mutations. These mutations lead to an increasing need of novel, stronger and more specific and stable antibiotics. The present review summarizes key structural, molecular and functional aspects of ESBL, IRT and CMT TEM β-lactamases properties and up to date diagrams of the TEM variants with defined phenotype. The activity and structural characteristics of several available TEMs in the NCBI-PDB are presented, as well as the relation of the various mutated residues and their specific properties and some previously proposed catalytic mechanisms.

Brincando com formas geométricas e cores: Um pé no Triângulo… Uma mão no Pentágono...

Neste artigo é analisada a construção do conhecimento matemático num jardim de infância do Porto, através do jogo; em particular, tratamos as formas geométricas e os diagramas de Carroll. Estes temas foram abordados, de uma forma integrada, numa atividade que também envolveu a expressão motora. Esta estratégia revelou-se uma boa forma de motivar as crianças do grupo para conteúdos complexos. Debruçamo-nos neste artigo sobre as fases de observação, planificação, ação e avaliação da atividade. Concluímos que os objetivos traçados foram ao encontro das necessidades e interesses das crianças e que a atividade contribuiu para o seu desenvolvimento integral e integrado.

Natural antioxidants extraction and their incorporation into model pharmaceutical systems

Dissertation to obtain a Master Degree in Biotechnology

An information model for lean, agile, resilient and green supply chain management

Dissertação para a obtenção de Grau de Mestre em Engenharia e Gestão Industrial