Neste trabalho se estuda a aplicação de um método de Ensaio Não Destrutivo, baseado no Ruído Magnético de Barkhausen (RMB), na medição de falhas superficiais em aços. O RMB é gerado por abruptas mudanças na magnetização de materiais quando submetidos a campos magnéticos variáveis. Essas mudanças são afetadas pela microestrutura e a presença e distribuição de tensões elásticas (compressão e tração). Inicialmente apresenta-se um estudo de medições de tensões produzidas por flexão, e perfis de dureza, via RMB. Analisa-se a influência de parâmetros de medição e analise dos sinais, na qualidade do diagnostico. Analisou-se a sensibilidade dos sinais de RMB na medição de tensão a parâmetros tais como direção de laminação da chapa, intensidade e frequência de campo magnético de excitação. Nos estudos da aplicação do RMB em medições de dureza, se usaram amostras de ensaio Jominy, com variação contínua de dureza. Utilizou-se dois tipos de materiais e foram feitas medidas de dureza HRC, RMB e análise metalográfica. O comportamento de diferentes parâmetros dos sinais de RMB se correlacionou com as medições de Dureza e as micrografias obtidas. As amplitudes do RMB mostraram ser inversamente proporcionais aos níveis de dureza. Também se apresenta uma nova tecnologia para inspeção de superfícies, baseado no conceito do Barkhausen Contínuo. São apresentadas análises de parâmetros de medição e de configuração de sonda, na inspeção sob três situações: presença de defeitos volumétricos, deformação plástica, e tensões mecânicas aplicadas. Estudou-se a influência de parâmetros como, amplitude do campo aplicado, velocidade de varredura, posicionamento e características do sensor, no nível de detecção do dano. Métodos de processamento de sinais específicos foram desenvolvidos. Os resultados mostraram, que para cada um dos casos estudados, é possível detectar a posição e nível do dano produzido. Essa nova tecnologia aumenta o espectro de soluções de Ensaios Não Destrutivos para problemas não contemplados pelos métodos existentes. / This work studies the application of a non-destructive testing method, based on the Magnetic Barkhausen Noise (MBN). MBN is generated by abrupt changes in magnetization of ferromagnetic materials subjected to variable magnetic fields. These changes are affected by the presence and distribution of elastic stresses (compression and traction) in the material and by its microstructure. At first, the present study describes MBN measurements of stresses produced by bending and MBN measurements of hardness profiles, in steel samples. The influence of both, measurement parameters and signal analysis, in the quality of fault diagnosis is also analysed. In this context, regarding stress measurements, the MBN signal sensitivity to parameters like surface lamination direction, intensity and frequency of magnetic excitation field is studied. On the other hand, application of MBN to hardness measurements used Jominy essay samples presenting continuous hardness variation. In this case, samples of two different materials were employed and hardness measurements were obtained by HRC, MBN as well as by metallographic analysis techniques. Behaviour of different MBN signal parameters were correlated with obtained hardness measurements and micrography. MBN amplitudes were shown to be inversely proportional to hardness levels. Finally, the work describes a new surface inspection technology, based on the concept of Continuous Barkhausen. In this context, the study analyses probe configuration and measurement parameters, concerning inspection of surface fault from three different origins: volumetric, plastic deformation, applied mechanical stress. The influence of parameters like applied field amplitude, probe velocity, sensor position and characteristics, in detecting damage level was also evaluated. In particular, specific signal processing methods were developed. Results showed that, for each studied case, it is possible to detect damage position and level. This new technology increases the range of NDT essay solutions for problems not yet contemplated by existing methods.

Protein misfolding is considered to be the major pathogenic mechanism in homocystinuria due to cystathionine beta-synthase (CBS) deficiency. The aim of this work was to study molecular mechanisms underlying protein misfolding of CBS mutants. Firstly, we studied spatial arrangement of normal human CBS protein. Using data from differential covalent labeling of solvent-exposed aminoacid residues, we identified interdomain contact area between the catalytic core and the regulatory domain in human CBS, and we subsequently generated the structural model of the full-length CBS. In the next step, we studied evolutionary divergence of CBS protein structures. We performed phylogenetic analysis that revealed unique spatial arrangement of CBS enzyme in nematodes; the domain architecture of CBS in Caenorhabditis elegans was studied experimentally in more detail. Finally, we determined conformational properties of a representative set of human CBS mutants that exhibited in various extent affected formation of tetramers and decreased catalytic activity. Using thermolysin-based proteolytic techniques for analysis of nine mutants expressed in E.coli, we found that an unfolded structure is a common intermediate occurring in CBS misfolding. The importance of protein unfolding for pathogenesis of CBS deficiency was...

Neste trabalho se estuda a aplicação de um método de Ensaio Não Destrutivo, baseado no Ruído Magnético de Barkhausen (RMB), na medição de falhas superficiais em aços. O RMB é gerado por abruptas mudanças na magnetização de materiais quando submetidos a campos magnéticos variáveis. Essas mudanças são afetadas pela microestrutura e a presença e distribuição de tensões elásticas (compressão e tração). Inicialmente apresenta-se um estudo de medições de tensões produzidas por flexão, e perfis de dureza, via RMB. Analisa-se a influência de parâmetros de medição e analise dos sinais, na qualidade do diagnostico. Analisou-se a sensibilidade dos sinais de RMB na medição de tensão a parâmetros tais como direção de laminação da chapa, intensidade e frequência de campo magnético de excitação. Nos estudos da aplicação do RMB em medições de dureza, se usaram amostras de ensaio Jominy, com variação contínua de dureza. Utilizou-se dois tipos de materiais e foram feitas medidas de dureza HRC, RMB e análise metalográfica. O comportamento de diferentes parâmetros dos sinais de RMB se correlacionou com as medições de Dureza e as micrografias obtidas. As amplitudes do RMB mostraram ser inversamente proporcionais aos níveis de dureza. Também se apresenta uma nova tecnologia para inspeção de superfícies, baseado no conceito do Barkhausen Contínuo. São apresentadas análises de parâmetros de medição e de configuração de sonda, na inspeção sob três situações: presença de defeitos volumétricos, deformação plástica, e tensões mecânicas aplicadas. Estudou-se a influência de parâmetros como, amplitude do campo aplicado, velocidade de varredura, posicionamento e características do sensor, no nível de detecção do dano. Métodos de processamento de sinais específicos foram desenvolvidos. Os resultados mostraram, que para cada um dos casos estudados, é possível detectar a posição e nível do dano produzido. Essa nova tecnologia aumenta o espectro de soluções de Ensaios Não Destrutivos para problemas não contemplados pelos métodos existentes. / This work studies the application of a non-destructive testing method, based on the Magnetic Barkhausen Noise (MBN). MBN is generated by abrupt changes in magnetization of ferromagnetic materials subjected to variable magnetic fields. These changes are affected by the presence and distribution of elastic stresses (compression and traction) in the material and by its microstructure. At first, the present study describes MBN measurements of stresses produced by bending and MBN measurements of hardness profiles, in steel samples. The influence of both, measurement parameters and signal analysis, in the quality of fault diagnosis is also analysed. In this context, regarding stress measurements, the MBN signal sensitivity to parameters like surface lamination direction, intensity and frequency of magnetic excitation field is studied. On the other hand, application of MBN to hardness measurements used Jominy essay samples presenting continuous hardness variation. In this case, samples of two different materials were employed and hardness measurements were obtained by HRC, MBN as well as by metallographic analysis techniques. Behaviour of different MBN signal parameters were correlated with obtained hardness measurements and micrography. MBN amplitudes were shown to be inversely proportional to hardness levels. Finally, the work describes a new surface inspection technology, based on the concept of Continuous Barkhausen. In this context, the study analyses probe configuration and measurement parameters, concerning inspection of surface fault from three different origins: volumetric, plastic deformation, applied mechanical stress. The influence of parameters like applied field amplitude, probe velocity, sensor position and characteristics, in detecting damage level was also evaluated. In particular, specific signal processing methods were developed. Results showed that, for each studied case, it is possible to detect damage position and level. This new technology increases the range of NDT essay solutions for problems not yet contemplated by existing methods.

[pt] A restauração geológica busca reverter processos geológicos, partindo de uma região com sua geometria atual para sua configuração original, prévia à deformação. A restauração geológica de seções transversais é um dos principais recursos da indústria de óleo e gás para auxiliar na interpretação e validação. Em geral, processos geológicos acontecem de forma tridimensional. No entanto, a restauração 3D é complexa e cara e não faz parte do fluxo de trabalho tradicional que preza por soluções rápidas e eficientes como a restauração de seções 2D. Este trabalho apresenta uma metodologia e o desenvolvimento de ferramentas para mapear o movimento tridimensional baseado na restauração de seções geológicas. Esta metodologia divide o problema em duas etapas. O primeiro passo mapeia o movimento das seções para as superfícies do modelo com o uso de um deformador de superfícies. Na sequência, o movimento das seções junto do movimento das superfícies mapeiam o movimento do volume, aqui discretizado em uma nuvem de pontos. A solução numérica do primeiro passo realiza a movimentação das superfícies considerando pontos de controle, restrições impostas pelo movimento das seções transversais em conjunto com a minimização da função tri-harmônica a fim de produzir superfícies de variação mínima. O segundo passo faz a movimentação do volume baseado em pontos de controle dados pela movimentação das seções adicionadas ao movimento das superfícies obtidas no primeiro passo. A base de desenvolvimento para estes estudos é o Sistema Recon-MS, um sistema computacional desenvolvido pela PETROBRAS em parceria com o Instituto Tecgraf/PUC-Rio, no qual, dentre outros recursos, permite a restauração de modelos geológicos, através de algoritmos geométricos e cinemáticos. / [en] Geological restoration aims to reverse geological processes, starting from a region with its current geometry to its original configuration, prior to deformation. The geological restoration of cross-section is one of the oil and gas industry s key capabilities to aid interpretation and validation. In general, geological processes occur in a three-dimensional way. However, 3D restoration is complex and expensive and not part of the traditional workflow that emphasizes fast and efficient solutions such as restoring 2D sections. This work presents a methodology and the development of tools to map the threedimensional movement based on the restoration of geological sections. This methodology divides the problem into two steps. The first step maps the movement of cross sections to model surfaces using a surface deformer. Next, the movement of the sections together with the movement of the surfaces map the movement of the volume, here discretized in a point cloud. The numerical solution of the first step performs the movement of surfaces considering control points, restrictions imposed by the movement of cross sections together with the minimization of the tri-harmonic function in order to produce surfaces with minimum variation. The second step is the movement of the volume based on control points given by the movement of the sections added to the movement of the surfaces obtained in the first step. The development basis for these studies is the Recon-MS System, a computational system developed by PETROBRAS in partnership with the Tecgraf/PUC-Rio Institute, which, among other resources, allows the restoration of geological models, through of geometric and kinematic algorithms.

Protein misfolding is considered to be the major pathogenic mechanism in homocystinuria due to cystathionine beta-synthase (CBS) deficiency. The aim of this work was to study molecular mechanisms underlying protein misfolding of CBS mutants. Firstly, we studied spatial arrangement of normal human CBS protein. Using data from differential covalent labeling of solvent-exposed aminoacid residues, we identified interdomain contact area between the catalytic core and the regulatory domain in human CBS, and we subsequently generated the structural model of the full-length CBS. In the next step, we studied evolutionary divergence of CBS protein structures. We performed phylogenetic analysis that revealed unique spatial arrangement of CBS enzyme in nematodes; the domain architecture of CBS in Caenorhabditis elegans was studied experimentally in more detail. Finally, we determined conformational properties of a representative set of human CBS mutants that exhibited in various extent affected formation of tetramers and decreased catalytic activity. Using thermolysin-based proteolytic techniques for analysis of nine mutants expressed in E.coli, we found that an unfolded structure is a common intermediate occurring in CBS misfolding. The importance of protein unfolding for pathogenesis of CBS deficiency was...

Traditional geologic mapping involves substantial time and labor in the field as geologic contacts are manually examined and interpreted. The processes of mapping geologic contacts can be condensed into a quicker and less laborious process using advances in remote sensing and GIS (geospatial information systems), including increased resolution and computerized data management and interpretation. Application of these advances reduces the costs and time of geologic mapping. The Sparta 7.5-minute quadrangle provides a mostly unaltered view of regional Paleocene and Upper Cretaceous geology due to its rural locale, lack of development, and stream topography. Recently LiDAR (Light Detection And Ranging) survey data covering the Sparta quadrangle were collected. These data were not available during previous attempts to map the area using computer modeling. With these new data, high-resolution topographic maps have been produced based on modern satellite imagery together with pre-existing maps of the Sparta quadrangle, which support improved geologic mapping.

The telecommunications sector is increasingly connected to the Internet, resulting in an expanded attack surface accessible from the public Internet. This has increased the availability of information such as IP addresses, open ports, and other network details that anyone from the Internet can access. As a result, potential entry points for attackers have increased, making it essential to map the attack surface of telecommunication networks from the public Internet. While previous research has explored various tools and techniques for mapping the attack surface of the Internet of Things (IoT) and Industrial Control Systems (ICS), such techniques have not yet been extended to the telecommunications domain. This thesis aims to comprehensively map the attack surface of telecommunications operators from the public Internet. To achieve this, we conducted a thorough literature review and proposed a methodology for mapping the attack surface explicitly designed for the telecommunications sector. First, we devised a research workflow that outlines the steps involved in the methodology. Second, we developed a Python-based tool to automate the workflow. We used the tool for a particular mobile network operator. It successfully gathered DNS records, IP addresses, exposed ports, services, Autonomous System Numbers (ASN), server versions, and potential vulnerabilities. The collected data provides valuable insights into the network infrastructure of the operator, aiding in the understanding of potential security risks. / Telekommunikationssektorn blir allt mer kopplad till Internet, detta resulterar i en större attackyta som är tillgänglig från det offentliga Internet. Detta har gett en ökad tillgänglighet av information som till exempel IP adresser, öppna portar, och annan nätverksinformation som vem som helst kan få åtkomst till via Internet. På grund av detta, har potentiella ingångar för attacker ökat, detta gör det avgörande att kartlägga attackytan för telekommunikationsnätverk från det offentliga Internet. Medan tidigare forskning har undersökt olika verktyg och tekniker för att kartlägga attackytor för the Internet of Things (IoT) och Industrial Control Systems (ICS), så har sådana tekniker ännu inte sträckt sig till telekommunikationsdomänen. Denna avhandling har som mål att utförligt kartlägga attackytan för telekommunikationsoperatörer från det offentliga Internet. För att uppnå detta, har vi utfört en grundlig litteraturgranskning och föreslagit en metodologi för kartläggning av attackytor specifikt designat för telekommunikationssektorn. Först konstruerade vi ett forskningsarbetsflöde som beskriver stegen involverade i metodologin. Sedan konstruerade vi ett Python-baserat verktyg för att automatisera arbetsflödet. Vi använde verktyget för en särskild mobilnätverksoperatör. Den samlade framgångsrikt in DNS uppgifter, IP adresser, exponerade portar, tjänster, Autonomous System Numbers (ASN), versioner av servrar, och potentiella sårbarheter. Den insamlade informationen ger värdefulla insikter i nätverksinfrastrukturen hos operatören, vilket hjälper till att förstå potentiella säkerhetsrisker

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Natural surfaces are usually associated with feature graphs, such as the cortical surface with anatomical atlas structure. Such a feature graph subdivides the whole surface into meaningful sub-regions. Existing brain mapping and registration methods did not integrate anatomical atlas structures. As a result, with existing brain mappings, it is difficult to visualize and compare the atlas structures. And also existing brain registration methods can not guarantee the best possible alignment of the cortical regions which can help computing more accurate shape similarity metrics for neurodegenerative disease analysis, e.g., Alzheimer’s disease (AD) classification. Also, not much attention has been paid to tackle surface parameterization and registration with graph constraints in a rigorous way which have many applications in graphics, e.g., surface and image morphing. This dissertation explores structural mappings for shape analysis of surfaces using the feature graphs as constraints. (1) First, we propose structural brain mapping which maps the brain cortical surface onto a planar convex domain using Tutte embedding of a novel atlas graph and harmonic map with atlas graph constraints to facilitate visualization and comparison between the atlas structures. (2) Next, we propose a novel brain registration technique based on an intrinsic atlas-constrained harmonic map which provides the best possible alignment of the cortical regions. (3) After that, the proposed brain registration technique has been applied to compute shape similarity metrics for AD classification. (4) Finally, we propose techniques to compute intrinsic graph-constrained parameterization and registration for general genus-0 surfaces which have been used in surface and image morphing applications.

Cette thèse s'inscrit en amont de la problématique de production d'hydrogène (H2) à partir de l'eau. Les réactions impliquées (oxydation de l'eau, WOR et réaction d'évolution de l'hydrogène, HER) requièrent des catalyseurs tels que des nanoparticules (NPs) métalliques. Cette catalyse peut être photoactivée en associant un photosensibilisateur (PS) aux NPs conduisant à des hybrides PS-NPs. Un tel assemblage peut se faire via des groupements acides carboxyliques. Ce travail de doctorat repose sur la combinaison d'outils expérimentaux et théoriques en vue de développer de nouveaux nanocatalyseurs au ruthénium. Notre contribution a consisté à définir une cartographie précise de la surface de Ru NPs stabilisées par des acides carboxyliques avec des chaînes alkyles de longueur différente comme systèmes modèles de catalyseurs PS-NPs pour la photoproduction d'H2 à partir d'H2O. Parmi les principaux objectifs était visée une meilleure compréhension des relations structure/propriétés à l'échelle nanométrique afin d'expliquer les propriétés de surface des NPs et leur viabilité catalytique. Les RuNPs ont été synthétisées par voie organométallique à partir du complexe [Ru(COD)(COT)] comme source de Ru et des acides carboxyliques (éthanoïque, pentanoïque et octanoïque) comme stabilisants. Cette méthode permet la formation de NPs bien contrôlées, fournissant ainsi des systèmes de choix pour des études comparatives fines. Des populations homogènes de RuNPs de taille 1.1 à 1.7 nm ont été obtenues. L'état de surface des NPs a été sondé par différentes techniques analytiques (IR, RMN et WAXS). L'optimisation du ratio [ligand) / [Ru] a permis de disposer de NPs de tailles similaires, et donc de systèmes comparables quel que soit l'acide carboxylique utilisé. Des calculs DFT ont été effectués en parallèle sur un modèle de NP Ru55, dont certains ont alimenté un modèle thermodynamique permettant de s'approcher des conditions expérimentales de température, de pression et de concentration. Une analyse systématique des propriétés des liaisons, des charges atomiques et des états électroniques (DOS, COHP, MPA) a été réalisée. Les calculs des modes de vibration des modèles à base de Ru55 et des déplacements chimiques RMN de clusters [Ru6] ont corroboré et facilité les attributions spectroscopiques expérimentales. Les données spectroscopiques et des études mécanistiques DFT ont montré que les acides carboxyliques interagissent sur la surface métallique sous forme carboxylate. En bon accord, les titrages expérimentaux et théoriques ont montré l'efficacité de l'approche suivie pour cerner l'influence du ligand et de la longueur de la chaîne alkyle sur les propriétés de RuNPs. L'énergie libre de Gibbs de l'adsorption d'hydrogène, un paramètre de référence pour déterminer la viabilité de matériaux pour la catalyse HER, a été calculée par DFT sur des modèles Ru55. Le meilleur nanocatalyseur doit présenter à la fois une surface métallique moyennement encombrée et un ligand avec une longueur de chaîne alkyle intermédiaire, indiquant ainsi comme système le plus prometteur les RuNPs stabilisées par l'acide pentanoïque. Des études d'échange de ligands à la surface de RuNPs stabilisées par l'acide octanoïque ont été réalisées afin de modéliser l'ancrage du PS par un groupe acide carboxylique et complétées par des études théoriques. Les résultats obtenus ont démontré la potentialité de cette approche. Une originalité de ce travail réside dans la combinaison d'études expérimentales et théoriques menées de front pour mieux comprendre la relation structure/propriétés de RuNPs stabilisées par des acides carboxyliques et leur viabilité catalytique pour la production d'H2 à partir d'H2O. Les données obtenues et des résultats catalytiques préliminaires devraient permettre de concevoir des nanocatalyseurs efficaces. Si l'intérêt d'une telle approche a été démontré sur des RuNPs modèles pour le craquage de l'eau, ce travail ouvre d'autres perspectives en nanocatalyse. / This PhD thesis is an upstream study regarding the production of hydrogen (H2) via the water splitting process. The reactions involved (water oxidation, WOR and hydrogen evolution reactions, HER) require efficient catalysts and nanoparticles (NPs) can act so. Such catalysis can be photoactivated by combining photosensitizers (PS) with the NPs leading to hybrid PS-NPs systems, and effective assembling is able via carboxylic acid groups. This work relies on a combination of experimental and theoretical tools to develop novel ruthenium-based nanocatalysts for the water splitting process. Our contribution aimed at achieving a precise mapping of the surface of ruthenium nanoparticles (RuNPs) stabilized by carboxylic acids with an alkyl chain of different length as model systems for the design of PS-NPs catalysts for H2 photoproduction from water. One of the main aims of this PhD was to bring a better understanding of structure/properties relationship at the nanoscale to explain the surface properties of RuNPs stabilized by carboxylic acids and their catalytic viability. RuNPs were synthesized by the organometallic approach using the [Ru(COD)(COT)] complex as metal source and ethanoic, pentanoic and octanoic acids as stabilizers. This synthesis method allows the formation of well-controlled metal NPs, thus providing nanosystems of choice for fine comparative studies. TEM characterization revealed the formation of homogeneous populations of RuNPs in a size range of 1.1 - 1.7 nm. The surface state of the NPs was probed by complementary analytical techniques like IR, NMR and WAXS, leading to a precise mapping of their surface. Optimization studies of the ligand/[Ru] ratio to get NPs with a similar size allowed to have comparable nanosystems whatever the carboxylic acid used as stabilizer and thus to determine the influence of the alkyl chain length. DFT calculations were performed in parallel according to a thermodynamic model fed with DFT energies. Also, a systematic analysis of the bond properties and of the electronic states (Density of States, Crystal Orbital Hamilton Population, atomic charges) was carried out using a Ru55 NP model. DFT calculations of the vibrational features of model RuNPs and of the chemical shifts of model Ru clusters also allowed to secure the spectroscopic experimental assignations. Spectroscopic data and DFT mechanistic studies evidenced that the carboxylic acids lie on the metal surface as carboxylates, together with hydrogen atoms. The results of experimental and theoretical titrations are in good agreement, thus showing the approach followed to be an efficient step to build a model in order to understand the ligand influence on RuNPs properties. Hydrogen adsorption Gibbs free energy, which is a reference parameter to determine the viability of materials for HER catalysis, has been calculated for optimized RuNP structures. The best nanocatalyst revealed to have both, intermediate crowded metal surface and intermediate alkyl chain length for the capping ligand, indicating the RuNPs stabilized by pentanoic acid as the most promising catalyst. Experiments on ligand exchange at the surface of octanoic acid-stabilized RuNPs were also performed in order to model the PS anchoring onto RuNPs through carboxylic acid groups completed by theoretical studies. Results obtained demonstrated the potentiality of this approach. The originality of this work lies with the combination of experimental and theoretical studies in parallel to achieve a better understanding of structure/properties relationship of RuNPs stabilized by carboxylic acids and their catalytic viability for the water-splitting process. Preliminary catalytic results are encouraging, and the data obtained should now allow to design appropriate nanocatalysts. Finally, the interest of this combined approach has been demonstrated through the study of RuNPs for water splitting, but this work opens new opportunities of research in nanocatalysis.