Rozprawy doktorskie na temat „Entropic Potential”

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 2012.
Cataloged from PDF version of thesis.
Includes bibliographical references (p. 371-373).
We provide a first principles analysis of the physics and thermodynamics of interstitial hydrogen in metal. By utilizing recent advances in Density Functional Theory (DFT) to get state energies of the metal-hydrogen system, we are able to model the absorption process fairly accurately. A connection to experiment is made via Pressure-Composition-Temperature (PCT) isotherms, and thermodynamic molar quantities. In the model, we understand the excess entropy of absorbed hydrogen in terms of the change in its accessible microstates. A connection is also made between the entropy and electronic states of interstitial hydrogen. However, our model indicates that this connection is too small to account for experimental results. Therefore, a conclusion is made that the entropy of absorbed hydrogen is mostly (non-ideal) configurational in nature. To model the latter in a manner consistent with experiment, we have explored a new model that posits a weak binding between clusters of hydrogen atoms at neighboring sites. We have developed a formulation and fitted the results to experimental data. We find a least squares fitting of the model to the entropy and enthalpy results in model parameters which seem physically reasonable. The resulting model appears to provide a natural physical explanation for the dependence of the excess entropy on loading.
by Peter Omondi Orondo.
Ph.D.

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O cágado-pescoço-de-cobra, Hydromedusa maximiliani, é uma espécie endêmica da Mata Atlântica e ameaçada de extinção na categoria Vulnerável pela IUCN, cujas populações estão associadas principalmente com riachos de interior de mata, mas a distribuição geográfica relacionada com esses ambientes hidrologicamente dinâmicos ainda é pouco entendida. Modelagem de Distribuição de Espécies tem sido uma ferramenta amplamente usada nos últimos anos. O algoritmo da Máxima Entropia, Maxent, permite prever a distribuição geográfica potencial de espécies a partir de dados de presença. Este estudo teve por objetivos construir modelos ecológicos para prever a distribuição potencial de H. maximiliani que poderão fornecer subsídios para elaboração de novas estratégias de conservação e, dessa forma contribuir com o avanço no conhecimento sobre o padrão de sua distribuição em regiões com domínio da Mata Atlântica. Os Dados de ocorrência foram obtidos, entre setembro de 2012 e setembro de 2013, através de visitas às coleções zoológicas, levantamentos bibliográficos e coleta de coordenadas geográficas no campo. Para a construção do modelo foi usado o algoritmo Maxent, auxiliado pelo ArcGis versão 10 e pelo modelo digital de elevação do “Shuttle Radar Topographic Mission”. As variáveis ambientais foram obtidas pelo Worldclim version 1.1 Global Cimate Surface 10. O modelo foi avalizado pelo valor de AUC (Area Under the ROC Curve) e pelo teste estatístico Jackknife. Foram compilados 42 pontos para a distribuição da H. maximiliani. A distribuição potencial se estendeu desde o sul da Bahia até o estado de São Paulo. O modelo gerado mostrou uma alta capacidade preditiva, com valor AUC superior a 0,97, e apresentou uma transferabilidade satisfatória (i.e. capacidade para prever distribuições em regiões não amostradas). O alto valor AUC evidencia um bom modelo de distribuição geográfica potencial de espécies. No entanto, em modelos de larga escala, esse valor pode-se apresentar proporcional ao tamanho da escala, o que levaria a uma interpretação equivocada do modelo. Contudo, as áreas previstas para a distribuição da H. maximiliani no presente estudo mostraram-se realistas e condizentes com a distribuição real da espécie.
The Maximilian’s snake-necked-turtle, Hydromedusa maximiliani, is specie endemic to the Atlantic Forest and endangered in category Vulnerable by IUCN, whose populations are mainly associated with streams inside the forest, but the geographical distribution related to these environments hydrologically dynamic is poorly understood. Species Distribution Modeling has been a tool widely used in recent years. The Maximum Entropy algorithm, Maxent predicts the potential geographic distribution of species from presence data. This study aimed to build ecological models to predict the potential distribution of H. maximiliani that may provide support for development of new strategies for the conservation and thus contribute to the advancement in knowledge about the pattern of their distribution in regions with the Atlantic Forest domain. The occurrence data were obtained between September 2012 and September 2013, through visits to the zoological collections, bibliographic and collection of geographic coordinates in the field. To construct the model we used the Maxent algorithm, aided by ArcGIS version 10 and the digital elevation model of the "Shuttle Radar Topographic Mission". The environmental variables were obtained by Worldclim version 1.1 Cimate Global Surface 10. The model was endorsed by the AUC (Area Under the ROC Curve) and the statistical test Jackknife. 42 points were compiled for the distribution of H. maximiliani. The potential distribution extended from southern Bahia to São Paulo. The generated model showed high predictive ability, with higher AUC value to 0.97, and showed a satisfactory transferability (i.e. ability to predict distributions in regions not sampled ). The high AUC value shows a good distribution model geographic potential of species. However, in models of large scale, this value can be presented proportional to the size of the scale, which would lead to a misinterpretation of the model. However, the areas provided for the distribution of H. maximiliani in this study are realistic and consistent with the distribution realityof the species.

Species extinction is a major concern that affect all countries and continents. Norway and Sweden are not spared by these concerns. Therefore, several studies have led to creating a better understanding about the factors which contribute to the expansion of specific species such as the golden eagle among others. However, climate data such as the temperature and rainfall precipitation have not yet been considered as significant parameters. This study aims to experimentally investigate whether climate data can have an impact on the distribution of the threatened bird using maximum entropy modelling. In order to investigate such impact, climate data were acquired from a global climate data provider (worldclim) and the presence-only occurences of the studied bird downloaded from species data providers (www.gbif.org and www.artdatabanken.no). The results showed that the annual mean temperature was a shared factor in both Sweden and Norway. The maximum entropy modelling can be envisaged as an alternative or a complement to current techniques in GIS applications. Keywords: maximum entropy, golden eagle, species distribution, visualization, climate data.

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Currently, one of the biggest challenges for the field of data mining is to perform cluster analysis on complex data. Several techniques have been proposed but, in general, they can only achieve good results within specific areas providing no consensus of what would be the best way to group this kind of data. In general, these techniques fail due to non-realistic assumptions about the true probability distribution of the data. Based on this, this thesis proposes a new measure based on Cross Information Potential that uses representative points of the dataset and statistics extracted directly from data to measure the interaction between groups. The proposed approach allows us to use all advantages of this information-theoretic descriptor and solves the limitations imposed on it by its own nature. From this, two cost functions and three algorithms have been proposed to perform cluster analysis. As the use of Information Theory captures the relationship between different patterns, regardless of assumptions about the nature of this relationship, the proposed approach was able to achieve a better performance than the main algorithms in literature. These results apply to the context of synthetic data designed to test the algorithms in specific situations and to real data extracted from problems of different fields
Atualmente, um dos maiores desafios para o campo de minera??o de dados ? realizar a an?lise de agrupamentos em dados complexos. At? o momento, diversas t?cnicas foram propostas mas, em geral, elas s? conseguem atingir bons resultados dentro de dom?nios espec?ficos, n?o permitindo, dessa maneira, que exista um consenso de qual seria a melhor forma para agrupar dados. Essas t?cnicas costumam falhar por fazer suposi??es nem sempre realistas sobre a distribui??o de probabilidade que modela os dados. Com base nisso, o trabalho proposto neste documento cria uma nova medida baseada no Potencial de Informa??o Cruzado que utiliza pontos representativos do conjunto de dados e a estat?stica extra?da diretamente deles para medir a intera??o entre grupos. A abordagem proposta permite usar todas as vantagens desse descritor de informa??o e contorna as limita??es impostas a ele pela sua pr?pria forma de funcionamento. A partir disso, duas fun??es custo de otimiza??o e tr?s algoritmos foram constru?dos para realizar a an?lise de agrupamentos. Como o uso de Teoria da Informa??o permite capturar a rela??o entre diferentes padr?es, independentemente de suposi??es sobre a natureza dessa rela??o, a abordagem proposta foi capaz de obter um desempenho superior aos principais algoritmos citados na literatura. Esses resultados valem tanto para o contexto de dados sint?ticos desenvolvidos para testar os algoritmos em situa??es espec?ficas quanto em dados extra?dos de problemas reais de diferentes naturezas

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In ferromagnets, magnetic entropy change is written by function that starts (in Ti = 0) and finish (in Tf ? 8) in zero after going through a maximum (the transition temperature TC). The enclosed area is thus A = Z Tf?8Ti=0SdT wherein S =Z HfHi ?M?T!HdH. AsM ? 0 writing for high temperatures independent of values of accessible field, the area is A =Z HfHi M(Ti ,H)dH defining the so-called rule of areas. This rule states that the enclosed areais defined by the values M(Ti,H) in the interval [Hi,Hf ]. Of course that it can be used at any interval [Ti, TF ]. This suggests that in a narrow region of temperatures around TC, A shouldvary with H (assuming Hi = 0) according to a power law: A ? Hm. The fact M(Ti,H) define the area is evident because the ferromagnet in question must follow an equation of state. Thus,M(Ti,H) and M(TF ,H) contains the information of the area A between Ti and TF . In this issue we consider since the equation of state more simple for a ferromagnet (Brillouin function) up to corresponding to systems that present crystal field effects and subject to hydrostatic pressure too. We analyze compounds RAl2 (R: Dy, Nd and Pr) and we have determined the values of the exponent m. We check the universality curvas of magnetocaloric potential (isothermal S ? Hn and adiabatic T ? Mp), of its areas and the exponents m and n. Finally, we obtain the usual critical exponents, analyzed the graphs of Arrott of the magnetic curves, based on the criteria Banerjee, and using the method Kouvel-Fisher. Main result is that, despite the application of pressure tends to induce discontinuous transitions, there are regions of applied field, in that is observed the collapse S curves. The scaled curves also suggests a continuous-discontinuous way with the definition of a tricritical point (he case ofPrAl2 under pressure 3,8 kbar).
Em ferromagnetos, a variação de entropia magnética é uma função que inicia (em Ti = 0 ) e termina (em Tf ? 8) no zero após passar por um máximo (na temperatura de transição TC). A área encerrada é assim dada por A =Z Tf?8Ti=0SdT em que S =Z HfHi?M?T!HdH. Como M ? 0 para temperaturas altas, independente dos valores de campo acessíveis, a área resulta A =Z HfHiM(Ti ,H)dH definindo a chamada regra das áreas. Esta regra estabelece que a área encerrada fica definida pelos valores M(Ti ,H) no intervalo [Hi,Hf ]. É claro que a mesma pode ser usada em qualquer intervalo [Ti, Tf ] . Isto sugere que em uma região estreita de temperaturas, ao redor de TC, A deve variar com H (supondo Hi = 0) segundo uma lei de potência: A ? Hm. O fato de M(Ti,H) definir a área é evidente pois o ferromagneto em questão deve seguir uma equação de estado. Desta forma, M(Ti,H) e M(Tf ,H) contém a informação da área A entre Ti e Tf. Neste trabalho consideramos desde a equação de estado mais simples para um ferromagneto (a função de Brillouin) até a correspondente a sistemas que apresentam efeitos de campo cristalino e ainda sujeitos a pressão hidrostática. Analisamos os compostos RAl2 (R: Dy, Nd e Pr) e determinamos os valores do expoente m. Verificamos a universalidade nas curvas dos potenciais magnetocalóricos (isotérmico S ? Hn e adiabático T ? Mp), de suas áreas e dos expoentes m e n. Finalmente, para a obtenção dos expoentes críticos usuais, analisamos os gráficos de Arrott das curvas magnéticas, com base no critério de Banerjee, e usando o método Kouvel-Fisher. Um dos principais resultados é que, apesar da aplicação de pressão tender a induzir transições descontínuas, existem regiões de campo aplicado em que é observado o colapso das curvas de S. As curvas reescaladas também sugerem a passagem contínua-descontínua com a definição de um ponto tricrítico (caso do PrAl2 sob pressão de 3,8 kbar).

Esta tese de doutorado é devotada a problemas de campos fortes em eletrodinâmica e teoria quântica de campos. Alguns sistemas físicos bem conhecidos são estudados sob o formalismo da eletrodinâmica quântica (QED) com campos externos e eletrodinâmica não-linear. Primeiramente estudamos propriedades estatísticas de estados quânticos de Dirac e Klein-Gordon massivos que interagem com campos elétricos dependentes do tempo que viola a estabilidade do vácuo, primeiro em termos gerais e em seguida para um campo de fundo específico. Como ponto de partida, derivamos uma expressão não-perturbativa de tais campos. Construímos operadores de densidade reduzidos para subsistemas de elétrons e pósitrons e discutimos o efeito de decoerência que pode ocorrer no curso de evolução devido à uma medição intermediária. Calculamos a perda de informação em estados em QED devido a reduções parciais e uma possível decoerência por meio da entropia de von Neumann. Em seguida consideramos um campo elétrico específico, denominado por campo T-constante, como campo de fundo forte. Este modelo exatamente solúvel nos permite calcular, explicitamente, todas propriedades estatísticas de vários estados quânticos de campos massivos e carregados em consideração. Utilizamos uma abordagem não-perturbativa para a QED com X-degraus elétricos críticos e consideramos dois exemplos de configuração de campo de tipo exponencial (campo simétrico que varia lentamente e campo do tipo pico). Os números médios de partículas criadas por essas configurações de campo são calculados. As condições quando espaços \"in\" e \"out\" de QED com campos em consideração são unitariamente equivalentes são obtidos. Então construímos um operador de densidade geral, cuja condição inicial é o vácuo. Tal operador descreve a deformação de um estado de vácuo inicial por X-degraus elétricos críticos. Encontramos as reduções do estado deformado para subsistemas de elétrons e pósitrons e calculamos a perda de informação destas reduções. A consideração geral é ilustrada por meio de um estudo de estados de vácuo quântico entre duas placas de capacitor. Calculamos as medidas de emaranhamento destes estados reduzidos como entropias de von Neumann. Por fim, determinamos o campo de uma partícula puntiforme em movimento em eletrodinâmica local não-linear. Utilizamos como um modelo a lagrangiana de Euler-Heisenberg truncada no seu termo de ordem principal em uma expansão, em série de potências, do primeiro invariante de campo eletromagnético. Calculamos a energia total do campo produzido por uma partícula pontual e mostramos que a mesma é finita; portanto tornando sua configuração de campo como um sóliton. Definimos o tensor de energia-momento finito para esta configuração e demonstramos que suas componentes satisfazem a relação mecânica padrão de uma partícula massiva livre que se move.
This thesis is devoted to strong field problems in electrodynamics and quantum field theory. Some well known physical systems are studied in a framework of quantum electrodynamics with external field and nonlinear electrodynamics. First, the statistical properties of states of quantized charged massive Dirac and Klein-Gordon fields interacting with a time-dependent background that violates the vacuum stability, first in general terms and then for a special electromagnetic background. As a starting point, a nonperturbative expression for the density operators of such fields. The reduced density operators for electron and positron subsystems are constructed and a decoherence that may occur in course of the evolution due to an intermediate measurement is discussed. The loss of the information in QED states due to partial reductions and a possible decoherence is studied by calculating the von Neumann entropy. Next, the so-called T-constant external electric field as an external background is considered. This exactly solvable example allows the explicit calculation of all statistical properties for various quantum states of the massive charged fields under consideration. Next, a nonperturbative approach to QED with x-electric critical potential steps is used. The general consideration is illustrated by the example of so-called exponential in two different configurations (slowly varying field and sharp peak field); differential and full mean numbers of particles created by these field configurations are calculated. The conditions when in- and out- spaces of the QED under consideration are unitarily equivalent are found. Then, a general density operator with the vacuum initial condition is constructed. Such an operator describes a deformation of the initial vacuum state by x-electric critical potential steps. The reductions of the deformed state to electron and positron subsystems are found, and the loss of the information in these reductions is calculated. The general consideration is illustrated by studying the deformation of the quantum vacuum between two capacitor plates. The entanglement measures of these reduced states are calculated as von Neumann entropies. Third, the field of a moving pointlike charge is determined in nonlinear local electrodynamics. The Euler-Heisenberg Lagrangian of quantum electrodynamics truncated at the leading term of its expansion in powers of the first field invariant is used as a model Lagrangian. The total energy of the field produced by a point charge is calculated and shown to be finite; thereby making its field configuration a soliton. A finite energy-momentum vector of this field configuration is defined to demonstrate that its components satisfy the standard mechanical relation characteristic of a freely moving massive particle

Cette thèse porte sur les méthodes de traitement des données de champs de potentiel. Vu l'importance des informations que nous pouvons en extraire, les méthodes de traitement sont en perpétuelle évolution. Ce travail comporte trois parties: la première porte sur le développement d'un programme de prolongement des données de champs de potentiel sur des surfaces arbitraires, en apportant des améliorations à la méthode et en faisant des tests sur des modèles synthétiques. La deuxième partie de cette thèse porte sur un rappel de la méthode de localisation des sources de champs de potentiel, à partir des lignes de maxima de la transformée en ondelettes. En moyennant le principe d'entropie maximum, nous avons pu mettre au point une méthode automatique pour réaliser le passage du demi-plan supérieur de la transformée en ondelettes, vers le demi-plan inférieur des profondeurs. Le calcul des pentes le long des lignes de maxima permet d'accéder au degré d'homogénéité de la source. Nous avons étendu l'application de cette méthode, en utilisant la phase de la transformée en ondelettes sur les données VLF. La troisième partie de ce travail porte sur le développement d'une méthode de localisation des sources de champs de potentiel, dans le cas 3-D. Pour cela, nous avons mis au point une méthode pour calculer la transformée en ondelettes dans le cas 3-D, en faisant intervenir les transformées de radon et en ridgelet. La méthode de localisation suit le même principe que celui dans le cas 2-D. Nous avons testé la méthode développée sur des données synthétiques et sur des données aéromagnétiques, ceci nous a permis d'améliorer la méthode et de valider les résultats obtenus par rapport à ceux obtenus avec d'autres méthodes.

Accounts of species’ range shifts in response to climate change, most often as latitudinal shifts towards the poles or upslope shifts to higher elevations, are rapidly accumulating. These range shifts are often attributed to species ‘tracking’ their thermal niches as temperatures in their native ranges increase. Our objective was to estimate the degree to which climate change-driven shifts in water temperature may increase the exposure of West Virginia’s native freshwater fishes to mountaintop removal surface coal mining. Mid-century shifts in habitat suitability for nine non-game West Virginia fishes were projected via Maximum Entropy species distribution modeling, using a combination of physical habitat, historical climate conditions, and future climate data. Modeling projections for a high-emissions scenario (Representative Concentration Pathway 8.5) predict that habitat suitability will increase in high elevation streams for eight of nine species, with marginal increases in habitat suitability ranging from 46-418%. We conclude that many West Virginia fishes will be at risk of increased exposure to mountaintop removal surface coal mining if climate change continues at a rapid pace.

The brain processes information sensed from the environment and guides behaviour. A fundamental component in this process is the storage and retrieval of past experiences as memories, which relies on the hippocampal formation. Although there has been a great progress in understanding the underlying neural code by which neurons communicate information, there are still open questions. Neural activity can be measured extracellularly as either spikes or field potentials. Isolated spikes and bursts of high-frequency spikes followed by silent periods can transmit messages to distant networks. The local field potential (LFP) reflects synaptic activity within a local network. The interplay between the two has been linked to cognitive functions, such as memory, attention and decision making. However, the code by which this neural communication is achieved is not well understood. We investigated a mechanism by which local network information contained in LFP rhythms can be transmitted to distant networks in the formof spike patterns fired by bursting neurons. Since rhythms within different frequency bands are prevalent during behavioural states, we studied this encoding during different states within the hippocampal formation. In the first paper, using a computational model we show that bursts of different size preferentially lock to the phase of the dominant rhythm within the LFP.We also present examples showing that bursting activity in the subiculum of an anaesthetised rat was phase-locked to delta or theta rhythms as predicted by the model. In the second paper, we explored possible neural codes by which bursting neurons can encode features of the LFP.We used the computational model reported in the first paper and analysed recordings from the subiculum of anaesthetised rats and the medial entorhinal cortex of an awake behaving rat. We show that bursting neurons encoded information about the instantaneous voltage, phase, slope and/or amplitude of the dominant LFP rhythm (delta or theta) in their firing rate. In addition, some neurons encoded about 10-15% of this information in intra-burst spike counts. We subsequently studied how the interactions between delta or theta rhythms can transfer information between different areas within the hippocampal formation. In the third paper, we show that delta and theta rhythms can act as separate routes for simultaneously transferring segregate information between the hippocampus and the subiculum of anaesthetised mice. We found that the phase of the rhythms conveyed more information than amplitude. We next investigated whether neurodegenerative pathology affects this information exchange. We compared information transfer within the hippocampal formation of young transgenic mice exhibiting Alzheimer’s disease-like pathology and healthy aged-matched control mice and show that at early stages of the disease the information transmission by LFP rhythm interactions appears to be intact but with some differences. The outcome of this project supports a burst code for relaying information about local network activity to downstream neurons and underscores the importance of LFP phase, which provides a reference time frame for coordinating neural activity, in information exchange between neural networks.

Nous nous intéressons dans cette thèse à la théorie cinétique et aux systèmes de particules dans le cadre des équations de Boltzmann et Landau. Premièrement, nous étudions la dérivation des équations cinétiques comme des limites de champ moyen des systèmes de particules, en utilisant le concept de propagation du chaos. Plus précisément, nous étudions les probabilités chaotiques sur l'espace de phase de ces systèmes de particules : la sphère de Boltzmann, qui correspond à l'espace de phase d'un système de particules qui évolue conservant le moment et l'énergie ; et la sphère de Kac, correspondant à un système de particules qui conserve seulement l'énergie. Ensuite, nous nous intéressons à la propagation du chaos, avec des estimations quantitatives et uniforme en temps, pour les équations de Boltzmann et Landau. Deuxièmement, nous étudions le comportement asymptotique en temps grand des solutions de l'équation de Landau.

El conocimiento de las características interfaciales es de suma importancia para poder desarrollar materiales que sean capaces de dar lugar a reacciones electrocatalíticas eficientes. Por esta razón, en esta tesis se muestran diferentes estudios interfaciales sobre superficies monocristalinas de platino y cobre en diferentes electrolitos. Además se estudian las características de la interfase electrodoldisolución con superficies de platino modificadas con adátomos de hierro, cobalto y níquel. Para ello, se han empleado las técnicas de voltametría cíclica, espectroscopía infrarroja con transformada de Fourier, desplazamiento de carga con CO y salto de temperatura inducido por láser. Los resultados muestran cómo varía el campo eléctrico interfacial disminuye al aumentar el recubrimiento de hierro y níquel en la superficie de platino. Este efecto tiene un gran impacto en la reacción de evolución de hidrógeno, ya que la mejora electrocatalítica de esta reacción está relacionada con la energía de reorganización de las moléculas de agua, la cual, depende de la fortaleza del campo eléctrico interfacial. Los estudios realizados en medio alcalino para las diferentes superficies de cobre y platino sin modificar muestran una correlación entre el potencial de máxima entropía y las funciones de trabajo para cada una de las diferentes orientaciones atómicas superficiales. Por otro lado, debido a la aplicabilidad de las nanopartículas en los sistemas reales de conversión de energía, se realizaron experimentos de sincrotrón empleando la técnica de Bragg coherent difraction imaging con el objetivo de estudiar el deterioro de las nanopartículas en condiciones operando.

Protein (mis)folding into highly ordered, fibrillar structures, amyloid fibrils, is a hallmark of several, mainly neurodegenerative, disorders. The mechanism of this supra-molecular self-assembly reaction, as well as its relationship to protein folding are not well understood. In particular, the molecular origin of the metastability of the soluble state of proteins with respect to the aggregated states has not been clearly established. In this dissertation, it is demonstrated, that highly accurate kinetic experiments, using a novel biosensing method, can yield fundamental insight into the dynamics of proteins in the region of the free energy landscape corresponding to protein aggregation. First, a section on Method development describes the extension and elaboration of the previously established kinetic assay relying on quartz crystal microbalance measurements for the study of amyloid fibril elongation (Chapter 3). This methodology is then applied in order to study in great detail the origin of the various contributions to the free energy barriers separating the soluble state of a protein from its aggregated state. In particular, the relative importance of residual structure, hydrophobicity (Chapter 4) and electrostatic interactions (Chapter 5) for the total free energy of activation are discussed. In the last part of this thesis (Chapter 6), it is demonstrated that this biosensing method can also be used to study the binding of small molecules to amyloid fibrils, a very useful feature in the framework of the quest for potential inhibitors of amyloid formation. In addition, it is shown that Thioflavin T, to-date the most frequently employed fluorescent label molecule for bulk solution kinetic studies, can in the presence of potential amyloid inhibitor candidates be highly unreliable as a means to quantify the effect of the inhibitor on amyloid formation kinetics. In summary, the work in this thesis contributes to both the fundamental and the applied aspects of the field of protein aggregation.

Pour décrire les vibrations à l'intérieur des molécules diatomiques, le potentiel de Morse est une meilleure approximation que le système de l'oscillateur harmonique. Ainsi, en se basant sur la définition des états cohérents et comprimés donnée dans le cadre du problème de l'oscillateur harmonique, la première partie de ce travail suggère une construction des états cohérents et comprimés pour le potentiel de Morse. Deux types d’états seront construits et leurs différentes propriétés seront étudiées en portant une attention particulière aux trajectoires et aux dispersions afin de confirmer la quasi-classicité de ces états. La deuxième partie de ce travail propose d'insérer ces deux types d’états cohérents et comprimés de Morse dans un miroir semi-transparent afin d'introduire un nouveau moyen de créer de l'intrication. Cette intrication sera mesurée à l’aide de l’entropie linéaire et nous étudierons la dépendance par rapport aux paramètres de cohérence et de compression.
In order to describe the vibrations inside a diatomic molecule, the Morse potential is a better approximation than the harmonic oscillator system. Thus, based on the definition of the coherent states given in the context of the harmonic oscillator, the first part of this work suggests a construction for the squeezed coherent states of the Morse potential. Two types of states will be constructed and their diverse properties will be studied with special attention to the trajectories and dispersions in order to confirm their quasi-classicity. The second part of this work proposes to insert those two types of Morse squeezed coherent states in a beam splitter in order to introduce a new way of creating entanglement. This entanglement will be measured by the linear entropy and we will study the dependence with the coherence and squeezing parameters.

Background: The 12-lead electrocardiogram (ECG) is a pivotal clinical investigation for evaluations of disorders of myocardial electrophysiology and function. Myocardial ischemia is generally diagnosed on the basis of clinical history, combined with ST segment shifts and T wave changes on resting 12-lead ECG. The ECG is also used as a monitoring tool for assessment of resolution of transmural ischemia following emergency treatment. Because this technology is easy, noninvasive, and inexpensive, it represents a convenient central investigative modality. On the other hand, the 12-lead ECG exhibits very low predictive accuracy for the diagnosis of ischemia in the absence of concurrent symptoms. Even if ECG monitoring is combined with treadmill exercise, the sensitivity and positive predictive accuracy for detection of myocardial ischemia are only around 50% - 75%. Therefore, information from the ECG, combined with exercise test, does not usually have a large influence on clinical decision-making. A number of imaging techniques may be combined with pacing-induced tachycardia or pharmacological stress in order to improve the diagnostic accuracy of such provocative tests for ischemia beyond the level provided by continuous ECG monitoring alone. These include echocardiography, nuclear imaging with single photon emission computed tomography (SPECT) or positron emission tomography (PET) and magnetic resonance imaging. All add to the diagnostic accuracy of the provocative tests performed, but involve considerably incremental costs. The question therefore arises: is it possible to refine continuous ECG analysis during provocative testing in such a way that the diagnostic accuracy of the procedure can be improved? The majority of clinical studies has examined the accuracy or otherwise of the diagnosis of myocardial ischemia utilizing fluctuation of the ST segments during either “spontaneous” ischemia or during provocative manoeuvres (e.g. exercise). As previously stated, the diagnostic accuracy of such analyses tends to be mediocre; when subjected to utility evaluation under Bayesian considerations, they often add little to history/physical examination. However, a number of potential refinements of 12-lead ECG analysis have been proposed, in order to improve both detection and as well as localization and quantitation of ischemia. These include evaluation of a variety of the component waveforms of both the QRS complex and the ST segment of the ECG. Current experiments The currently described series of investigations arose from preliminary findings that myocardial ischemia in a canine model was associated with transient fluctuations in QRS entropy. Both evaluations performed related to the hypothesis that reversible myocardial ischemia causes transient increases in entropy within QRS complexes and ST segments of the human 12-lead ECG. A series of preliminary experiments suggested that such changes did indeed occur, mainly within the ST segment. The first series of experiments performed compared conventional continuous ST segment analysis within the 12-lead ECG is vs. continuous evaluation of entropy-derived parameters for the localization of ischemia induced by balloon inflation during non-emergency coronary angioplasty. In a series of 103 patients, localization of ischemia was similarly accurate for the entropy-based method and the ST segment assessment method. Ischemic zones were correctly localized by these approaches in 88% and 80% of cases, respectively (p not significant). There was poor concordance between the extent of ST elevation and changes in ST segment entropy. In a small subset of patients with complete bundle branch block and/or ST depression on resting ECG (n=22), entropy-based localization of ischemia was possible in 55% of cases compared with 41% via ST segment assessment (difference not significant). Post hoc analysis revealed that entropy fluctuations arose throughout the ST segment rather than predominantly at the J-point. The second series of experiments was carried out on patients undergoing pacing-induced provocation of possible myocardial ischemia, with scanning via myocardial perfusion imaging (SPECT) examination. As with the first series, 12-lead ECG recording and ST trend monitoring were performed during the pacing procedure. The ST segment deviation and the entropy-based analyses were used for localization of possible ischemia. Data analyses were correlated with myocardial perfusion imaging results. A total 43 patients were studied. Categorization of ischemia via ST segment assessment had only 30% concordance with myocardial perfusion imaging results, while entropy-based analyses had 58% concordance. Therefore neither “conventional” (i.e. ECG-based ST segment analysis) nor novel entropy-based analyses are currently of clinical utility for detection of tachycardia-induced ischemia.
Thesis (M.Med.Sc.) - University of Adelaide, School of Medicine, 2008

Background: The 12-lead electrocardiogram (ECG) is a pivotal clinical investigation for evaluations of disorders of myocardial electrophysiology and function. Myocardial ischemia is generally diagnosed on the basis of clinical history, combined with ST segment shifts and T wave changes on resting 12-lead ECG. The ECG is also used as a monitoring tool for assessment of resolution of transmural ischemia following emergency treatment. Because this technology is easy, noninvasive, and inexpensive, it represents a convenient central investigative modality. On the other hand, the 12-lead ECG exhibits very low predictive accuracy for the diagnosis of ischemia in the absence of concurrent symptoms. Even if ECG monitoring is combined with treadmill exercise, the sensitivity and positive predictive accuracy for detection of myocardial ischemia are only around 50% - 75%. Therefore, information from the ECG, combined with exercise test, does not usually have a large influence on clinical decision-making. A number of imaging techniques may be combined with pacing-induced tachycardia or pharmacological stress in order to improve the diagnostic accuracy of such provocative tests for ischemia beyond the level provided by continuous ECG monitoring alone. These include echocardiography, nuclear imaging with single photon emission computed tomography (SPECT) or positron emission tomography (PET) and magnetic resonance imaging. All add to the diagnostic accuracy of the provocative tests performed, but involve considerably incremental costs. The question therefore arises: is it possible to refine continuous ECG analysis during provocative testing in such a way that the diagnostic accuracy of the procedure can be improved? The majority of clinical studies has examined the accuracy or otherwise of the diagnosis of myocardial ischemia utilizing fluctuation of the ST segments during either “spontaneous” ischemia or during provocative manoeuvres (e.g. exercise). As previously stated, the diagnostic accuracy of such analyses tends to be mediocre; when subjected to utility evaluation under Bayesian considerations, they often add little to history/physical examination. However, a number of potential refinements of 12-lead ECG analysis have been proposed, in order to improve both detection and as well as localization and quantitation of ischemia. These include evaluation of a variety of the component waveforms of both the QRS complex and the ST segment of the ECG. Current experiments The currently described series of investigations arose from preliminary findings that myocardial ischemia in a canine model was associated with transient fluctuations in QRS entropy. Both evaluations performed related to the hypothesis that reversible myocardial ischemia causes transient increases in entropy within QRS complexes and ST segments of the human 12-lead ECG. A series of preliminary experiments suggested that such changes did indeed occur, mainly within the ST segment. The first series of experiments performed compared conventional continuous ST segment analysis within the 12-lead ECG is vs. continuous evaluation of entropy-derived parameters for the localization of ischemia induced by balloon inflation during non-emergency coronary angioplasty. In a series of 103 patients, localization of ischemia was similarly accurate for the entropy-based method and the ST segment assessment method. Ischemic zones were correctly localized by these approaches in 88% and 80% of cases, respectively (p not significant). There was poor concordance between the extent of ST elevation and changes in ST segment entropy. In a small subset of patients with complete bundle branch block and/or ST depression on resting ECG (n=22), entropy-based localization of ischemia was possible in 55% of cases compared with 41% via ST segment assessment (difference not significant). Post hoc analysis revealed that entropy fluctuations arose throughout the ST segment rather than predominantly at the J-point. The second series of experiments was carried out on patients undergoing pacing-induced provocation of possible myocardial ischemia, with scanning via myocardial perfusion imaging (SPECT) examination. As with the first series, 12-lead ECG recording and ST trend monitoring were performed during the pacing procedure. The ST segment deviation and the entropy-based analyses were used for localization of possible ischemia. Data analyses were correlated with myocardial perfusion imaging results. A total 43 patients were studied. Categorization of ischemia via ST segment assessment had only 30% concordance with myocardial perfusion imaging results, while entropy-based analyses had 58% concordance. Therefore neither “conventional” (i.e. ECG-based ST segment analysis) nor novel entropy-based analyses are currently of clinical utility for detection of tachycardia-induced ischemia.
Thesis (M.Med.Sc.) - University of Adelaide, School of Medicine, 2008

Potential theory is the name given to the broad field of analysis encompassing such topics as harmonic and subharmonic functions, the Dirichlet problem, Green’s functions, potentials and capacity. In this text, our main goal will be to gain a deeper understanding towards complex dynamics, the study of dynamical systems defined by the iteration of analytic functions, using the tools and techniques of potential theory. We will restrict ourselves to holomorphic polynomials in C. At first, we will discuss briefly about harmonic and subharmonic functions. In course, potential theory will repay its debt to complex analysis in the form of some beautiful applications regarding the Julia sets (defined in Chapter 8) of a certain family of polynomials, or a single one. We will be able to provide an explicit formula for computing the capacity of a Julia set, which in some sense, gives us a finer measurement of the set. In turn, this provides us with a sharp estimate for the diameter of the Julia set. Further if we pick any point w from the Julia set, then the inverse images q−n(w) span the whole Julia set. In fact, the point-mass measures with support at the discrete set consisting of roots of the polynomial, (qn-w) will eventually converge to the equilibrium measure of the Julia set, in the weak*-sense. This provides us with a very effective insight into the analytic structure of the set. Hausdorff dimension is one of the most effective notions of fractal dimension in use. With the help of potential theory and some ergodic theory, we can show that for a certain holomorphic family of polynomials varying over a simply connected domain D, one can gain nice control over how the Hausdorff dimensions of the respective Julia sets change with the parameter λ in D.

Potential theory is the name given to the broad field of analysis encompassing such topics as harmonic and subharmonic functions, the Dirichlet problem, Green’s functions, potentials and capacity. In this text, our main goal will be to gain a deeper understanding towards complex dynamics, the study of dynamical systems defined by the iteration of analytic functions, using the tools and techniques of potential theory. We will restrict ourselves to holomorphic polynomials in C. At first, we will discuss briefly about harmonic and subharmonic functions. In course, potential theory will repay its debt to complex analysis in the form of some beautiful applications regarding the Julia sets (defined in Chapter 8) of a certain family of polynomials, or a single one. We will be able to provide an explicit formula for computing the capacity of a Julia set, which in some sense, gives us a finer measurement of the set. In turn, this provides us with a sharp estimate for the diameter of the Julia set. Further if we pick any point w from the Julia set, then the inverse images q−n(w) span the whole Julia set. In fact, the point-mass measures with support at the discrete set consisting of roots of the polynomial, (qn-w) will eventually converge to the equilibrium measure of the Julia set, in the weak*-sense. This provides us with a very effective insight into the analytic structure of the set. Hausdorff dimension is one of the most effective notions of fractal dimension in use. With the help of potential theory and some ergodic theory, we can show that for a certain holomorphic family of polynomials varying over a simply connected domain D, one can gain nice control over how the Hausdorff dimensions of the respective Julia sets change with the parameter λ in D.

"November, 2001"
Includes bibliographical references (leaves 229-246)
xxiv, 254 leaves : ill. (col.) ; 30 cm.
Title page, contents and abstract only. The complete thesis in print form is available from the University Library.
Thesis (Ph.D.)--University of Adelaide, Dept. of Electrical and Electronic Engineering, 2002

"November, 2001"
Includes bibliographical references (leaves 229-246)
xxiv, 254 leaves : ill. (col.) ; 30 cm.
Thesis (Ph.D.)--University of Adelaide, Dept. of Electrical and Electronic Engineering, 2002

Στην παρούσα μεταπτυχιακή διπλωματική εργασία, η κυματιδιακή ανάλυση (Wavelet Analysis) εφαρμόζεται σε ηλεκτροεγκεφαλικές καταγραφές ασθενών που πάσχουν από επιληψία και σε προκλητά δυναμικά ασθενών που πάσχουν από σχιζοφρένεια και αλκοολισμό, με σκοπό την ανάδειξη παθολογικών προτύπων. Συγκεκριμένα, χρησιμοποιείται ο Διακριτός Κυματιδιακός Μετασχηματισμός (Discrete Wavelet Transform) για την εκτίμηση της Εντροπίας (Entropy) τωνηλεκτροεγκεφαλικών σημάτων. Η Εντροπία είναι ένα μέγεθος το οποίο εκφράζει το βαθμό τάξης ενός σήματος. Βιοσήματα με μεγάλο βαθμό οργάνωσης και περιορισμένο συχνοτικό περιεχόμενο -που θεωρείται ότι εκφράζουν πιο συντονισμένη εγκεφαλική λειτουργία- έχουν χαμηλές τιμές Εντροπίας. Αντίθετα, όσο πιο στοχαστικό είναι ένα σήμα τόσο μεγαλύτερη η τιμή της Εντροπίας του. Για τη μελέτη μας υλοποιήσαμε δύο διαφορετικά μεγέθη Εντροπίας, την Κυματιδιακή Εντροπία (Wavelet Entropy) και την Εντροπία Renyi (Renyi Entropy), τα οποία έχουν διαφορετικές σχέσεις ορισμού αλλά εκφράζουν και τα δύο το βαθμό τάξης των αναλυόμενων σημάτων. Τα αποτελέσματα της ανάλυσης αποκαλύπτουν ότι και τα δύο αυτά μεγέθη Εντροπίας κατορθώνουν να εντοπίσουν την επιληπτική κρίση, καθώς η τιμή τους διαφοροποιείται κατά τη διάρκειά της σε σχέση με την τιμή τους πριν από αυτή. Ακόμα, στατιστική ανάλυση των αποτελεσμάτων για προκλητά δυναμικά αποκαλύπτει ότι είναι δυνατός ο διαχωρισμός των παθολογικών καταγραφών (σχιζοφρενών ή αλκοολικών) από αυτές υγιών μαρτύρων, σε συγκεκριμένες περιοχές ενδιαφέροντος των σημάτων.
Wavelet Analysis of EEG during epileptic seizures and evoked potentials of patients suffering from schizophrenia and alcoholism was carried out in the present project. Discrete Wavelet Transform was used to estimate the Entropy of patients’ biosignals. Entropy is a measure of the degree of order of a signal -and subsequently of the system it represents- also reflecting the complexity of its power spectrum. An ordered activity, like a sinusoidal signal, is manifested as a narrow peak in the frequency domain which corresponds to a low entropy value. On the other extreme, a disordered activity (e.g. the one generated by pure noise or by a deterministic chaotic system) will have a wide band response, thus being reflected in higher entropies. In our research we used two differently defined Entropies, Wavelet Entropy and Renyi Entropy, both revealing the degree of order of the signal. Results show that both Entropy measures accomplish the goal they were used for. They manage to detect the epileptic seizure as their value clearly decreased during seizure compared to the pre-ictal value. Also, statistically significant differences were observed between entropy values of ERPs of healthy subjects and patients suffering from schizophrenia and alcoholism.