This dissertation delves into using entropy, a fundamental concept in thermodynamics and information theory, for analyzing social dynamics. Entropy relies on a probability distribution over states, which is crucial for quantifying social systems’ complexity, unpredictability, and self-organization behavior. Through an interdisciplinary approach encompassing social physics, agent-based modeling, and sentiment analysis, the research investigates the role of entropy and its underlying probability distribution in three key areas: residential segregation, financial systems, and sentiment fluctuations in online social networks. By integrating entropy-based models that leverage the probability distribution over states, the research aims to enhance the understanding of complex social phenomena and provide practical insights for policymakers, urban planners, and social media ex- parts. The findings demonstrate the potential of entropy as a unifying framework for studying social sciences, economics, and digital social systems, highlighting the growing relevance of probability distributions in decoding patterns of social dynamics. The dissertation contributes to the theoretical basis for modeling and predicting the complexity of social networks using entropy and its associated probability distribution, with significant implications for various domains.

Statistical models like Transition State Theory (TST) and Rice-Ramsperger-Kassel-Marcus (RRKM) Theory have generally been successful in predicting the rates and selectivities of chemical reactions. However, these statistical models can fail to explain experimental results of ordinary organic reactions. For these reactions, consideration of nonstatistical dynamic effects or the detailed motion and momenta of the atoms is necessary to account for the experimental observations. Dynamic effects have been found to be important in a growing number of reactions and the nature of these effects can be varied. One of the most interesting reactions investigated is the ozonolysis of vinyl ethers. Ozonolysis of a homologous series of vinyl ethers in solution exhibit experimental product ratios wherein the selectivity among cleavage pathways increases with the size of the alkyl group to an extent that is far less than RRKM theory would predict. Trajectory studies account for the observed selectivities and support a mechanism involving a competition between cleavage of the primary ozonide and intramolecular vibrational energy redistribution. A recent theoretical study from our group predicted that a highly asynchronous organocatalytic Diels-Alder (DA) reaction, which is concerted in the potential energy surface, is stepwise in the free energy surface. Kinetic isotope effects (KIEs) were measured for three DA reactions. We envision that the entropic barrier may have several experimental consequences such as unusual isotope effects due to extensive recrossing. Preliminary results for the organocatalytic reaction show an intramolecular KIE close to unity that cannot be reconciled with statistical theories. This is in contrast with Lewis-acid catalyzed and thermal DA reactions, which exhibit substantial "normal" intramolecular KIEs that are in accord with TST predictions. Finally, the Baeyer-Villiger oxidation of cylohexanone in water was investigated. KIEs were measured for the oxidation of cyclohexanone with peracetic acid and trifluoroperacetic acid. When using peracetic acid as the oxidant, the alkyl migration was determined to be the rate-determining step based on significant intermolecular KIEs on the carbonyl and alpha-methylene carbons. A change in the rate-determining step is seen when trifluoroperacetic acid is used. Only the carbonyl carbon exhibits a significant isotope effect. Theoretical predictions provide an experimental picture of the transition states and qualitatively support these conclusions.

Student Number : 0002483R - MSc dissertation - School of Molecular and Cell Biology - Faculty of Science / Isothermal titration calorimetry was used to investigate the forces that drive ligand binding to the active site of rGST M1-1. In an attempt to gain insight into the recognition of non-substrate ligands by GSTs, this study also investigates interactions between rGST M1-1 and ANS, a non-substrate ligand. At 25 °C, complex formation between rGST M1-1 and GSH, GSO3 -, and S-hexylglutathione is characterised by a monophasic binding isotherm with Kd values of 38.5 mM, 2.1 mM and 0.2 mM, respectively. One molecule of each ligand is bound per monomer of rGST M1-1. Binding of these ligands is enthalpically favourable and entropically unfavourable with a resultant favourable Gibbs free energy, overall. The effects of temperature and buffer ionisation on the energetics of binding were studied. The enthalpic and entropic contributions for all three ligands exhibited temperature dependence over the temperature range investigated (5-30 °C). The Gibbs free energy showed negligible changes with increasing temperature due to enthalpy-entropy compensation. The temperature dependence of the binding enthalpy yielded heat capacity changes of – 2.69 kJ/mol/K and –3.68 kJ/mol/K at 25 °C for GSH and S-hexylglutathione binding and –1.86 kJ/mol/K overall for GSO3 -. The linear dependence of DH on temperature for GSO3 - binding to rGST M1-1 suggests the formation of a more constrained complex which limits the fluctuations in conformations of the mu-loop at the active site. The non-linear dependence of DH on temperature for GSH and Shexylglutathione binding to the enzyme suggests the formation of a complex that samples different bound conformations due to the mobility of the mu-loop even after ligand is bound. Calorimetric binding experiments in various buffer systems with different ionisation enthalpies suggest that the binding of GSH to rGST M1-1 is coupled to the deprotonation of the thiol of GSH while GSO3 - binding to rGST M1-1 is independent of the buffer ionisation. At 25 °C, the rGST M1-1#1;ANS association is represented by a monophasic binding isotherm with one molecule of ANS bound per monomer of rGST M1-1. The interaction is both enthalpically and entropically driven with a Kd value of 27.2 mM representing moderate affinity. The effect of temperature on the interaction was investigated over the temperature range of 5-30 °C. The linear dependence of the binding enthalpy on temperature indicates that no significant structural changes occur upon binding of ANS to the enzyme (DCp = -0.34 kJ/mol/K). The change in heat capacity associated with the interaction can be attributed to the burial of the polar sulphonate group of ANS and the exposure of the anilino and naphthyl rings to solvent as well as the possibility of weak electrostatic interactions between ANS and residues at the active site. The effect of ethacrynic acid, GSH, GSO3 - and S-hexylglutathione on the fluorescence of ANS was investigated in order to obtain some idea as to the location of the ANS binding site on rGST M1-1. ANS was displaced by GSO3 -, S-hexylglutathione and ethacrynic acid, while no displacement occurred upon binding of GSH to the active site of rGST M1-1. Displacement studies and molecular docking simulations indicate that ANS binds to the H-site of rGST M1-1 and the possibility of a second binding site for the molecule cannot be ruled out.

Knowledge of the microcirculatory system has added significant value to the analysis of tissue oxygenation and perfusion. While developments in videomicroscopy technology have enabled medical researchers and physicians to observe the microvascular system, the available software tools are limited in their capabilities to determine quantitative features of microcirculation, either automatically or accurately. In particular, microvessel density has been a critical diagnostic measure in evaluating disease progression and a prognostic indicator in various clinical conditions. As a result, automated analysis of the microcirculatory system can be substantially beneficial in various real-time and off-line therapeutic medical applications, such as optimization of resuscitation. This study focuses on the development of an algorithm to automatically segment microvessels, calculate the density of capillaries in microcirculatory videos, and determine the distribution of blood circulation. The proposed technique is divided into four major steps: video stabilization, video enhancement, segmentation and post-processing. The stabilization step estimates motion and corrects for the motion artifacts using an appropriate motion model. Video enhancement improves the visual quality of video frames through preprocessing, vessel enhancement and edge enhancement. The resulting frames are combined through an adjusted weighted median filter and the resulting frame is then thresholded using an entropic thresholding technique. Finally, a region growing technique is utilized to correct for the discontinuity of blood vessels. Using the final binary results, the most commonly used measure for the assessment of microcirculation, i.e. Functional Capillary Density (FCD), is calculated. The designed technique is applied to video recordings of healthy and diseased human and animal samples obtained by MicroScan device based on Sidestream Dark Field (SDF) imaging modality. To validate the final results, the calculated FCD results are compared with the results obtained by blind detailed inspection of three medical experts, who have used AVA (Automated Vascular Analysis) semi-automated microcirculation analysis software. Since there is neither a fully automated accurate microcirculation analysis program, nor a publicly available annotated database of microcirculation videos, the results acquired by the experts are considered the gold standard. Bland-Altman plots show that there is ``Good Agreement" between the results of the algorithm and that of gold standard. In summary, the main objective of this study is to eliminate the need for human interaction to edit/ correct results, to improve the accuracy of stabilization and segmentation, and to reduce the overall computation time. The proposed methodology impacts the field of computer science through development of image processing techniques to discover the knowledge in grayscale video frames. The broad impact of this work is to assist physicians, medical researchers and caregivers in making diagnostic and therapeutic decisions for microcirculatory abnormalities and in studying of the human microcirculation.

Classic psychedelic substances, such as lysergic acid diethylamide and the active compound in magic mushrooms, psilocybin, are being studied again in a renaissance of psychedelic research. Psychedelic substances have profound effects on perception, emotion, and cognition, as well as the capacity to induce mystical-type experiences and ego-dissolution. Recent clinical studies indicate that these substances have positive effects on patient populations and healthy participants, both acutely and long-term. Neuroimaging studies show that psychedelics alter neural integration, by the disintegration of normally stable resting state networks, and increasing network connectivity between normally anticorrelated networks. This thesis will review the phenomenological characteristics of the psychedelic-induced altered state of consciousness, the therapeutic potential of the psychedelic-induced altered state of consciousness, and neuroimaging studies on the psychedelic state. Two theoretical accounts are compared on the brain basis of psychedelic-induced altered state of consciousness. From the recent research on psychedelics a novel theory of conscious states has evolved, the entropic brain theory. This theory will be compared to the integrated information theory, a well-established theory of consciousness within cognitive neuroscience.

Dentre, os mecanismos voltados ao planejamento ambiental na atualidade e possíveis de serem implantados na gestão territorial, o Zoneamento-Antrópico- Ambiental tem se mostrado como um instrumento estratégico nas tomadas de decisões, o qual busca compatibilizar o desenvolvimento socioeconômico e manter ou preservar a qualidade ambiental de um determinado território. Nesse contexto, a presente pesquisa teve como objetivo elaborar uma proposta de Zoneamento- Antrópico-Ambiental para o Município de Iporã do Oeste-SC, a partir da caracterização e análise dos fatores socioeconômicos e ambientais juntamente com as perspectivas da população local. O embasamento teórico foi fundamentado na abordagem sistêmica. Metodologicamente a pesquisa centrou-se na proposta de Libault (1971), o qual aborda os quatro níveis da pesquisa geográfica. Para a elaboração do Zoneamento-Antrópico-Ambiental do Município de Iporã do Oeste-SC, foram delimitadas duas microbacias hidrográficas com base no Projeto Microbacias II, a microbacia hidrográfica do Lajeado Pirapó (MHLP) e a microbacia Hidrográfica do Lajeado Esperança, (MHLE), as quais apresentaram particularidades (relevo, uso da terra e localização) e relevância socioeconômica para o contexto local. Os resultados compreenderam a elaboração de diferentes produtos cartográficos (uso da terra, declividade, hipsometria, legislação e conflitos ambientais), confeccionados a partir do software Spring 4.2.1. Tais produtos foram sobrepostos gerando três zonas de uso e ocupação para ambas as microbacias. As zonas definidas foram: Zona de Uso e Ocupação Moderada (ZUOM); Zona de Uso e Ocupação Restrita (ZUOR) e Zona de Uso e Ocupação Controlada (ZUOC). A ZUOR predomina nas duas microbacias com um total de 54,66% de 2.176,09 ha da MHLP e, 41,96% de 2.823,85 da MHLE. A partir daí, cada zona foi caracterizada, destacando as potencialidades e limitações existentes, gerando um cenário atual e a incentivar, a partir das perspectivas ou projetos elencados pela população residente em cada microbacia. A proposta pretende contribuir para a discussão e a reflexão sobre as formas atuais e potenciais de uso e ocupação do espaço, orientando as tomadas de decisões por parte dos planejadores e pesquisadores, juntamente com a comunidade local, visando assim, o desenvolvimento socioeconômico e o equilíbrio do sistema socioambiental como um todo. / Among, the mechanisms returned to the environmental planning at the present time and possible of they be implanted in the territorial administration, the zoning-entropicenvironmental has shown as a strategic instrument in the decisions-making, which it looks for compatibiling the socioeconomic development and to maintain or to preserve the environmental quality of a certain territory. In that context, to present research it had as objective elaborates a proposal of Zoning-Entropic-environmental for the Municipal district of Iporã of West-SC, starting from the characterization and analysis of the socioeconomic and environmental factors together with the perspectives of the local population. The theoretical basement was based in the systemic approach. Methodologically the research was centered in the Libault proposal (1971), which approaches the four levels of the geographical research. For the elaboration of the Zoning-Entropic-environmental of the Municipal district of Iporã of West-SC, two micro basin hydrographic were delimited with base in the Micro basins Project II, the micro basin hydrographic of Lajeado Pirapó (MHLP) and the micro basin Hydrographic of the Lajeado Esperança, (MHLE), which presented particularities (relieve, earth using and location) and socioeconomic relevance for the local context. The results understood the elaboration of different cartographic products (earth using, steepness, hypsometry, legislation and environmental conflicts), made starting from the software Spring 4.2.1. Such products were put upon generating three use areas and occupation for both micro basins. The defined areas were: Use Area and Moderate Occupation (ZUOM); Use Area and Restricted Occupation (ZUOR) and Use Area and Controlled Occupation (ZUOC). ZUOR prevails in the two micro basins with a total of 54, 66% of 2.176,09 of the MHLP and, 41, and 96% of 2.823,85 of MHLE. Since then, each area was characterized, detaching the potentialities and existent limitations, generating a current scenery and to motivate, starting from the perspectives or developed projects for the resident population in each micro basin. The proposal intends to contribute for the discussion and the reflection about the current forms and use potentials and occupation of the space, guiding the decisions-making on the part of the planners and researchers, together with the local community, seeking like this, the socioeconomic development and the balance of the system socio-environmental as a completely.

O objetivo deste trabalho é o desenvolvimento de um método dedicado de classificação para placas de madeira utilizadas na fabricação de lápis, utilizando procedimentos de visão computacional. O processo aqui proposto, foi idealizado buscando uma metodologia que pudesse ser realizada com baixa complexidade computacional, ou seja, os cálculos dos algoritmos utilizando apenas operações simples - do tipo soma, subtração, multiplicação e divisão - em imagens em níveis de cinza. A intenção em utilizar apenas as operações básicas citadas, tem o objetivo de tornar o método implementável em arquiteturas com tecnologia VLSI, notadamente em Arquiteturas Sistólicas. O trabalho descreve o ciclo de produção do lápis localizando a etapa onde é proposta a metodologia de classificação das placas de madeira. Nesta etapa, há uma seqüência de procedimentos, descritos ao longo do trabalho, que compreendem a aquisição da imagem das placas, a extração de características das imagens, o processamento dessas características e por fim os algoritmos de classificação. Na etapa de extração de características, buscou-se com a aplicação de um método de Limiar automático que utiliza a entropia de Shannon, extrair informações suficientes para classificar adequadamente as placas de madeiras em diferentes classes, fornecendo dessa forma, um sistema ágil, repetitivo e de baixo custo para aproveitamento da madeira em diferentes produtos finais. / The objective of this work was to develop a dedicated computer vision method for the classification of wooden plates used in pencil manufacturing. The process here proposed was idealized looking for a low computational complexity methodology that could be accomplished in VLSI, as for instance using Systolic Computer Architectures made of logic arrays. The pencil cycle of production is described, locating the stage where the proposed classification methodology should be used. There is a sequence of procedures, along the work, that describe the acquisition, extraction of the characteristics and the processing of the images, and finally the classification algorithms. For the extraction of characteristics of the images, it was used an automatic method for the threshold determination, based on Shannon\'s entropy. The information supplied by the threshold determination method allows classifying the plates in different classes. The analysis of the results showed that the method performs well is repetitive and efficient on the classification and its use can be extended to classifying other final products.

Combustion noise is central to several efforts to curb aircraft emissions. Indeed, acoustic waves originating in the combustor are a major contributor to aircraft noise. Moreover, they can act as a trigger for thermoacoustic instabilities, the consequences of which may range from decreased efficiency to outright failure. Modern engines designed to lower NOx emissions are particularly susceptible to this phenomenon. Unsteady combustion generates acoustic waves — direct noise — as well as convected flow disturbances, such as entropic, vortical or compositional inhomogeneities. These disturbances generate additional acoustic waves — indirect noise — if they are accelerated. The main objectives of this thesis are to examine the validity of current theoretical models for indirect noise, and to propose new ones where needed. First, a one-dimensional theoretical framework for the direct and indirect noise produced in a reflective environment is presented. The direct noise produced by the addition of mass, momentum and energy to a flow is determined analytically. A model for the entropic and compositional noise generated at a compact nozzle is then derived, accounting for nozzles with non-uniform entropy. Finally, the effect of reverberation (i.e. repeated acoustic reflections) is determined analytically. This enables direct and indirect acoustic sources to be identified and separated within experimental data, while eliminating the effect of acoustic reflections. The framework is applied to a model experiment — the Cambridge Wave Generator — in which direct, entropic and compositional noise are generated. Direct and indirect noise models are validated using experimental measurements of the sound field resulting from air injection and extraction, heat addition and helium injection. For the first time, direct, entropic and compositional noise are clearly identified in the experimental data, and shown to be in line with theoretical predictions. The results provide the first experimental demonstration of the compositional noise mechanism, and show that isentropic nozzle models are inadequate in predicting the indirect noise generated at nozzles with substantial losses.

O objetivo deste trabalho é o desenvolvimento de um método dedicado de classificação para placas de madeira utilizadas na fabricação de lápis, utilizando procedimentos de visão computacional. O processo aqui proposto, foi idealizado buscando uma metodologia que pudesse ser realizada com baixa complexidade computacional, ou seja, os cálculos dos algoritmos utilizando apenas operações simples - do tipo soma, subtração, multiplicação e divisão - em imagens em níveis de cinza. A intenção em utilizar apenas as operações básicas citadas, tem o objetivo de tornar o método implementável em arquiteturas com tecnologia VLSI, notadamente em Arquiteturas Sistólicas. O trabalho descreve o ciclo de produção do lápis localizando a etapa onde é proposta a metodologia de classificação das placas de madeira. Nesta etapa, há uma seqüência de procedimentos, descritos ao longo do trabalho, que compreendem a aquisição da imagem das placas, a extração de características das imagens, o processamento dessas características e por fim os algoritmos de classificação. Na etapa de extração de características, buscou-se com a aplicação de um método de Limiar automático que utiliza a entropia de Shannon, extrair informações suficientes para classificar adequadamente as placas de madeiras em diferentes classes, fornecendo dessa forma, um sistema ágil, repetitivo e de baixo custo para aproveitamento da madeira em diferentes produtos finais. / The objective of this work was to develop a dedicated computer vision method for the classification of wooden plates used in pencil manufacturing. The process here proposed was idealized looking for a low computational complexity methodology that could be accomplished in VLSI, as for instance using Systolic Computer Architectures made of logic arrays. The pencil cycle of production is described, locating the stage where the proposed classification methodology should be used. There is a sequence of procedures, along the work, that describe the acquisition, extraction of the characteristics and the processing of the images, and finally the classification algorithms. For the extraction of characteristics of the images, it was used an automatic method for the threshold determination, based on Shannon\'s entropy. The information supplied by the threshold determination method allows classifying the plates in different classes. The analysis of the results showed that the method performs well is repetitive and efficient on the classification and its use can be extended to classifying other final products.

Submitted by Marlene Santos (marlene.bc.ufg@gmail.com) on 2016-09-30T21:08:58Z No. of bitstreams: 2 Dissertação - Lucas de Souza Ferreira - 2016.pdf: 964364 bytes, checksum: 53a985295d81269cf08a064398f305f0 (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) / Approved for entry into archive by Luciana Ferreira (lucgeral@gmail.com) on 2016-10-03T12:57:01Z (GMT) No. of bitstreams: 2 Dissertação - Lucas de Souza Ferreira - 2016.pdf: 964364 bytes, checksum: 53a985295d81269cf08a064398f305f0 (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) / Made available in DSpace on 2016-10-03T12:57:01Z (GMT). No. of bitstreams: 2 Dissertação - Lucas de Souza Ferreira - 2016.pdf: 964364 bytes, checksum: 53a985295d81269cf08a064398f305f0 (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Previous issue date: 2016-03-10 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / In 1943, Ashkin and Teller (AT) proposed a model to describe the behavior of a system composed by four components that interact with each other. However the problem has not been solved analytically for all parameters due to the complexity of the model. Only thirty years later Fan (1972) proposed a change in order to analyze the system. He made an analogy with the Ising model and described the interactions between the components in terms of spins, leading to a simple matching with the Ising and Potts q = 4 models and, enabling therefore a clearer comprehension of the model and allowing the implementation of various techniques to investigate the behavior of the system with the temperature. In 2001 Wang and Landau developed a Monte Carlo algorithm that estimates directly the density of states and can be applied in the study of phase transitions and the thermodynamic properties. This algorithm is based on a random walk in the space of energies that leads to an estimate for the density of states. During the simulations an energy histogram monitors the evolution of the density of states: whenever the flatness criterion is satisfied, we obtain a finer level of the density of states. In this work we perform a study of the Ashkin-Teller model using the Wang-Landau algorithm, determining the behavior of the magnetization and the specific heat and estimating the critical exponents , and and the critical temperature through the finite-size theory for different values of the model parameters. / Em 1943, Ashkin e Teller (AT) propuseram um modelo para descrever o comportamento de um sistema composto por quatro componentes que interagem entre si. Todavia o problema não foi resolvido analiticamente para todos parâmetros do sistema devido à complexidade de modelo. Somente trinta anos após a publicação do trabalho Fan (1972) propôs uma mudança na forma de analisar o sistema. Ele fez uma analogia com o modelo de Ising e escreveu as interações entre as componentes em termos de spins, o que levou a uma fácil correspondência com os modelos de Ising e Potts q = 4 e, de certa forma, tornou mais clara a compressão do modelo e possibilitou a aplicação de várias técnicas para se obter o comportamento do sistema com a temperatura. Em 2001 Wang e Landau elaboraram um algoritmo de Monte Carlo que estima diretamente a densidade de estados e pode ser aplicado no estudo de transições de fase e propriedades termodinâmicas. Esse algoritmo é baseado em um passeio aleatório no espaço das energias em que constroi-se uma estimativa da densidade de estados juntamente com um histograma de energia: toda vez que o critério de nivelamente é satisfeito, obtêm-se um nível mais refinado da densidade de estados. Este trabalho tem como objetivo o estudo do modelo de Ashkin-Teller usando o algoritmo de Wang-Landau, para o qual, determinamos o comportamento da magnetização e calor específico bem como os expoentes críticos , e e a temperatura crítica, através da teoria de tamanho finito para diferentes conjuntos de parâmetros do modelo.