Técnicas de deteção de dano estrutural com base na monitorização

Ao longo dos últimos anos, acompanhada da evolução tecnológica, da dificuldade da inspeção visual e da consciencialização dos efeitos de uma má inspeção, verificou-se uma maior sensibilidade para a importância da monitorização estrutural, principalmente nas grandes infra-estruturas de engenharia civil. Os sistemas de monitorização estrutural permitem o acompanhamento contínuo do comportamento de uma determinada estrutura de tal forma que com os dados obtidos, é possível avaliar alterações no comportamento da mesma. Com isso, tem-se desenvolvido e implementado estratégias de identificação de danos estruturais com o intuito de aumentar a fiabilidade estrutural e evitar precocemente que alterações na condição da estrutura possam evoluir para situações mais severas. Neste contexto, a primeira parte desta dissertação consiste numa introdução à monitorização estrutural e à deteção de dano estrutural. Relativamente à monitorização, são expostos os seus objetivos e os princípios da sua aplicação. Conjuntamente são apresentados e descritos os principais sensores e são explicadas as funcionalidades de um sistema de aquisição de dados. O segundo tema aborda a importância da deteção de dano introduzindo os métodos estudados neste trabalho. Destaca-se o método das linhas de influência, o método da curvatura dos modos de vibração e o método da transformada de wavelet. Na segunda parte desta dissertação são apresentados dois casos de estudo. O primeiro estudo apresenta uma componente numérica e uma componente experimental. Estuda-se um modelo de viga que se encontra submetida a vários cenários de dano e valida-se a capacidade do método das linhas de influência em detetar e localizar essas anomalias. O segundo estudo consiste na modelação numérica de uma ponte real, na posterior simulação de cenários de dano e na análise comparativa da eficácia de cada um dos três métodos de deteção de dano na identificação e localização dos danos simulados. Por último, são apresentadas as principais conclusões deste trabalho e são sugeridos alguns tópicos a explorar na elaboração de trabalhos futuros.

Rapid Evolution of the Sequences and Gene Repertoires

Proteins secreted to the extracellular environment or to the periphery of the cell envelope, the secretome, play essential roles in foraging, antagonistic and mutualistic interactions. We hypothesize that arms races, genetic conflicts and varying selective pressures should lead to the rapid change of sequences and gene repertoires of the secretome. The analysis of 42 bacterial pan-genomes shows that secreted, and especially extracellular proteins, are predominantly encoded in the accessory genome, i.e. among genes not ubiquitous within the clade. Genes encoding outer membrane proteins might engage more frequently in intra-chromosomal gene conversion because they are more often in multi-genic families. The gene sequences encoding the secretome evolve faster than the rest of the genome and in particular at non-synonymous positions. Cell wall proteins in Firmicutes evolve particularly fast when compared with outer membrane proteins of Proteobacteria. Virulence factors are over-represented in the secretome, notably in outer membrane proteins, but cell localization explains more of the variance in substitution rates and gene repertoires than sequence homology to known virulence factors. Accordingly, the repertoires and sequences of the genes encoding the secretome change fast in the clades of obligatory and facultative pathogens and also in the clades of mutualists and free-living bacteria. Our study shows that cell localization shapes genome evolution. In agreement with our hypothesis, the repertoires and the sequences of genes encoding secreted proteins evolve fast. The particularly rapid change of extracellular proteins suggests that these public goods are key players in bacterial adaptation.

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.

Adaptive Penalty and Barrier function based on Fuzzy Logic

Optimization methods have been used in many areas of knowledge, such as Engineering, Statistics, Chemistry, among others, to solve optimization problems. In many cases it is not possible to use derivative methods, due to the characteristics of the problem to be solved and/or its constraints, for example if the involved functions are non-smooth and/or their derivatives are not know. To solve this type of problems a Java based API has been implemented, which includes only derivative-free optimization methods, and that can be used to solve both constrained and unconstrained problems. For solving constrained problems, the classic Penalty and Barrier functions were included in the API. In this paper a new approach to Penalty and Barrier functions, based on Fuzzy Logic, is proposed. Two penalty functions, that impose a progressive penalization to solutions that violate the constraints, are discussed. The implemented functions impose a low penalization when the violation of the constraints is low and a heavy penalty when the violation is high. Numerical results, obtained using twenty-eight test problems, comparing the proposed Fuzzy Logic based functions to six of the classic Penalty and Barrier functions are presented. Considering the achieved results, it can be concluded that the proposed penalty functions besides being very robust also have a very good performance.