Ce travail de thèse a porté sur la synthèse de boîtes quantiques (BQs) de semi-conducteurs nitrures orientés (11-22) ou (0001) par épitaxie par jets moléculaires à plasma d'azote, pour des applications aux capteurs chimiques pour la détection du niveau de pH, d'hydrogène ou des hydrocarbures dans des environnements gazeux ou liquides. Dans la première partie de ce manuscrit, je décri la synthèse des couches bidimensionnelles semi-polaires (11-22) : des couches binaires (AlN, GaN, and InN) et des ternaires (AlGaN et InGaN), qui sont requises pour le contact de référence dans les transducteurs et aussi pour établir une connaissance de base pour comprendre la transition dès la croissance bidimensionnelle à la croissance tridimensionnel des BQs. Un résultat particulièrement relevant est l'étude de la cinétique de croissance et l'incorporation de l'indium dans les couches d'InGaN(11-22). De même que pour InGaN polaire (0001), les conditions optimales de croissance pour l'orientation cristallographique semi-polaire correspondent à la stabilisation de 2 ML d'In sur la surface, en excellent accord avec des calculs théoriques. Les limites de la fenêtre de croissance en termes de température du substrat et de flux d'In sont les mêmes pour les matériaux semi-polaire et polaires. Cependant, j'ai constaté une inhibition de l'incorporation de l'In dans les couches semi-polaires, même pour une température en dessous du seuil de la ségrégation pour l'InGaN polaire. Dans une deuxième étape, j'ai fabriqué des super-réseaux de BQs de GaN/AlN et InGaN/GaN, à la fois dans l'orientation polaire et semi-polaire. Les mesures de photoluminescence et de photoluminescence en temps résolu confirment la réduction du champ électrique interne dans les boîtes semi-polaires. D'autre part, les BQs semi-polaires à base d'InGaN doit relever le défi de l'incorporation d'In dans cette orientation cristallographique. Pour surmonter ce problème, l'influence de la température de croissance sur les propriétés des boîtes quantiques InGaN polaires et semi-polaires a été étudiée, en considérant la croissance à haute température (TS = 650–510 °C, où la désorption d'In est active) et à basse température (TS = 460–440 °C, où la désorption d'In est négligeable). J'ai démontré que les conditions de croissance à faible TS ne sont pas compatibles avec le plan polaire, tandis qu'ils fournissent un environnement favorable au plan semi-polaire pour améliorer l'efficacité quantique interne de nanostructures InGaN. Enfin, j'ai synthétisé un certain nombre de transducteurs à BQs de GaN/AlN et InGaN/GaN selon les axes de croissance polaire et semi-polaire. Dans chaque cas, les conditions de croissance pour atteindre la fourchette spectrale ciblée (420-450 nm d'émission à avec une couche contact transparente pour des longueurs d'onde plus courtes que 325 nm) ont été identifiés. L'influence d'un champ électrique externe sur la luminescence des transducteurs ont confirmé que la meilleure performance (plus grande variation de la luminescence en fonction de la polarisation) a été fournie par des structures à base de BQs d'InGaN/GaN. Avec ces données, les spécifications des transducteurs opto-chimiques ont été fixées : 5 perides de BQs d'InGaN/GaN sur une couche contact d'Al0.35Ga0.65N:Si). Puis, j'ai synthétisé un certain nombre de ces transducteurs afin d'obtenir un aperçu sur la reproductibilité, limites et les étapes critiques du processus de fabrication. En utilisant ces échantillons, nous avons réalisé un système capteur intégré qui a été utile pour le suivi de la valeur du pH de l'eau. / This thesis work has focused on the synthesis of (In)GaN-based quantum dot (QD) structures by plasma-assisted molecular-beam epitaxy (PAMBE), deposited in both polar (0001) and semipolar (11-22) crystallographic orientations, for application as optical transducers for chemical sensors for detection of pH levels, and hydrogen or hydrocarbon concentrations in gas or liquid environments. In the first part of this work, I describe the synthesis of semipolar-oriented two-dimensional layers: binary alloys (AlN, GaN and InN) and ternary alloys (AlGaN and InGaN), which are required for the reference contact of the transducers and set the basic know-how to understand the transition from two-dimensional growth to three-dimensional QD nanostructures. It is particularly relevant the study of indium kinetics and indium incorporation during the PAMBE growth of InGaN(11-22) layers. Similarly to (0001)-oriented InGaN, optimum growth conditions for this semipolar crystallographic orientation correspond to the stabilization of 2 ML of In on the growing InGaN surface, in excellent agreement with first-principles calculations. The limits of the growth window in terms of substrate temperature and In flux lie at same values for polar and semipolar materials. However, I observe an inhibition of the In incorporation in semipolar layers even for substrate temperatures below the segregation threshold for polar InGaN. In a second stage, I report the successful fabrication of superlattices (SLs) of GaN/AlN and InGaN/GaN QDs, both in polar and semipolar orientations. Photoluminescence and time-resolved photoluminescence confirmed the reduction of the internal electric field in the semipolar GaN/AlN QDs in comparison with polar structures. On the other hand, semipolar InGaN QDs must face the challenge of In incorporation in this crystallographic orientation. To overcome this problem, the influence of the growth temperature on the properties of the polar and semipolar InGaN QDs has been studied, considering growth at high temperature (TS = 650–510 °C, where In desorption is active) and at low temperature (TS = 460–440 °C, where In desorption is negligible). I demonstrate that low-TS growth conditions are not compatible with polar plane whereas they provide a favorable environment to semipolar plane to enhance the internal quantum efficiency of InGaN nanostructures. Finally, I have synthesized a number of GaN/AlN and InGaN/GaN QD optical transducers, grown in polar and semipolar orientations. In each case, the growth conditions to attain the targeted spectral range (emission at 420-450 nm with buffer transparent for wavelengths shorter than 325 nm) were identified. The influence of an external electric field on the luminescence of the transducers confirmed that the best performance (larger variation of the luminescence as a function of bias) was provided by InGaN/GaN QD structures. With this feedback, the specifications of the targeted opto-chemical transducer structures have been established (5 InGaN/GaN QD layers on Al0.35Ga0.65N:Si). Then, I have synthesized a number of InGaN/GaN opto-chemical transducers in order to get an insight on the reproducibility, limitations and critical steps in the fabrication process. Using these samples, we have achieved an integrated sensor system based on polar InGaN QD SLs, and the system was useful for monitorization of the pH value of water.

Cette thèse se situe à la croisée de trois domaines : la spintronique qui s'attache à utiliser le degré de liberté du spin de l'électron afin de fabriquer de nouveaux dispositifs électroniques; l'électronique moléculaire qui cherche à profiter des progrès de la chimie moderne afin de fournir des alternatives au tout semi-conducteur de la micro-électronique; le magnétisme moléculaire qui cherche à synthétiser des aimants moléculaires aux propriétés toujours plus riches. Notre travail a consisté à produire un dispositif électronique à base d'aimant moléculaire et d'utiliser le spin de l'électron afin d'étudier les propriétés magnétiques à l'échelle d'une molécule. Des dispositifs semblables pourraient, dans l'avenir, constituer l'une des briques élémentaires de l'information quantique. Nous avons pour cela opté pour un transistor moléculaire à effet de champ, ayant pour canal un aimant moléculaire aux propriétés magnétiques bien connues : le Terbium double-decker ou TbPc2. Grâce à ce dispositif, nous avons, dans un premier temps, mis en évidence le retournement de l'aimantation d'une molécule unique par effet tunnel ou QTM (quantum tunneling of the magnetization). En effet, nous avons démontré que ce retournement entraînait une modification soudaine de la conductance de notre système. En effectuant une étude statistique sur les valeurs du champ de retournement, nous avons mis en évidence la présence de résonances que nous avons pu attribuer au phénomène de QTM. Nous avons également mesuré l'état d'un spin nucléaire unique : chaque résonance étant associée à un état de spin nucléaire. Nous avons étudié la température du spin nucléaire et montré que celle-ci pouvait être influencée par l'environnement électrostatique du système. En outre, le temps de vie d'un état de spin nucléaire a été extrait et estimé à quelques secondes, vérifiant que le système était faiblement perturbé par notre technique de mesure. Ces travaux jettent les bases de la construction du premier Qbit à base d'aimants moléculaires. Par des techniques de radiofréquence, le spin nucléaire pourrait être manipulé, la lecture se faisant ensuite par une mesure en conductance. / This PhD thesis is at a cross-road between three different fields : the spintronics which uses the spin degree of freedom of the electron to build new devices ; the molecular electronics which tries to take advantage of the new development of the chemistry, to give a workaround to the all semiconductor paradigm of the microelectronics industry; and the molecular magnetism which synthesizes molecular magnet with properties of an increasing richness. Our work has been dedicated to the fabrication of a molecular magnet based electronic device with which we could use the spin of the electron to study the magnetic properties at a single molecule level. Such device could, in the future, be used in the field of quantum information. We have decided to fabricate a field effect molecular transistor in which a well known molecular magnet, the Terbium double-decker or TbPc2, acts as a channel. Thanks to this device, we evidenced the quantum tunnelling of the magnetization (QTM) at single molecule level. We demonstrated that the magnetic moment reversal induces an abrupt change in the differential conductance of the system. By performing a statistical study, we highlighted four resonances that were attributed to QTM. We also measured a single nuclear spin state : each resonance being directly associated with one particular nuclear spin state. We studied the nuclear spin temperature and showed that it could be influenced by the electrostatic environment. Furthermore, the spin state lifetime was assessed and estimated to few seconds, highlighting the low invasive character of our measurement technique. This work give the foundation of the first molecular magnet based Qbit. With radio frequency techniques, the nuclear spin could be manipulated, the readout being performed through conductance measurement.

Submitted by ANDRE RAMALHO DOS SANTOS null (ramalho_inf@yahoo.com.br) on 2018-02-14T03:20:16Z No. of bitstreams: 1 Dissertação André Ramalho.final.pdf: 2789018 bytes, checksum: d4170ea3aaec8f302b447a0aac5e5986 (MD5) / Approved for entry into archive by Ana Paula Santulo Custódio de Medeiros null (asantulo@rc.unesp.br) on 2018-02-14T16:54:15Z (GMT) No. of bitstreams: 1 santos_ar_me_rcla.pdf: 2620534 bytes, checksum: cb88b11f48c3fc7b2fef3c938febb8e0 (MD5) / Made available in DSpace on 2018-02-14T16:54:15Z (GMT). No. of bitstreams: 1 santos_ar_me_rcla.pdf: 2620534 bytes, checksum: cb88b11f48c3fc7b2fef3c938febb8e0 (MD5) Previous issue date: 2017-11-30 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) / Nós estudamos teoricamente como o calor e a eletricidade são afetados pela sobreposição de dois férmions de Majorana (MFs, de Majorana fermions em Inglês), os quais estão isolados nas bordas de um fio topológico de Kitaev, em particular, na forma de “ferradura”. É considerado que esse fio está assimetricamente acoplado a um único ponto quântico (QD, de Quantum dot em Inglês) hibridizado com contatos metálicos. Em baixas temperaturas e dependente do nível de energia desse QD, nós mostramos que ao ajustar a assimetria acima, as respostas ressonantes das condutâncias termoelétricas mudam inesperadamente de forma drástica. Assim, propomos como aplicação, um sintonizador termoelétrico em nanoescala assistido por MFs. / We study theoretically in a topological U-shaped Kitaev wire, with Majorana fermions (MFs) on the edges, how heat and electricity are affected by them when found overlapped. The asymmetric regime of their couplings with a single quantum dot (QD) hybridized with metallic leads is considered. At low temperatures and dependent upon the QD energy level, we show that by tuning this asymmetry, the resonance positions of the thermoelectrical conductances change drastically. Thereby, the tuner of heat and electricity here proposed is constituted.

abstract: Protein affinity reagents have aptly gained profound importance as capture reagents and drugs in basic research, biotechnology, diagnostics and therapeutics. However, due to the cost, labor and time associated with production of antibodies focus has recently changed towards potential of peptides to act as protein affinity reagents. Affinity peptides are easy to work with, non-immunogenic, cost effective and amenable to scale up. Even though researchers have developed several affinity peptides, we are far from compiling library of peptides that encompasses entire human proteome. My thesis describes high throughput pipeline that can be used to develop and characterize affinity peptides that bind several discrete sites on target proteins. Chapter 2 describes optimization of cell-free protein expression using commercially available translation systems and well-known leader sequences. Presence of internal ribosome entry site upstream of coding region allows maximal expression in HeLa cell lysate whereas translation enhancing elements are best suited for expression in rabbit reticulocyte lysate and wheat germ extract. Use of optimal vector and cell lysate combination ensures maximum protein expression of DNA libraries. Chapter 3 describes mRNA display selection methodology for developing affinity peptides for target proteins using large diversity DNA libraries. I demonstrate that mild denaturant is not sufficient to increase selection pressure for up to three rounds of selection and increasing number of selection rounds increases probability of finding affinity peptide s. These studies enhance fundamental understanding of mRNA display and pave the way for future optimizations to accelerate convergence of in vitro selections. Chapter 4 describes a high throughput double membrane dot blot system to rapidly screen, identify and characterize affinity peptides obtained from selection output. I used dot blot to screen potential affinity peptides from large diversity of previously ii uncharacterized mRNA display selection output. Further characterization of potential peptides allowed determination of several high affinity peptides from having Kd range 150- 450 nM. Double membrane dot blot is automation amenable, easy and affordable solution for analyzing selection output and characterizing peptides without ne ed for much instrumentation. Together these projects serve as guideline for evolution of cost effective high throughput pipeline for identification and characterization of affinity peptides. / Dissertation/Thesis / Masters Thesis Biochemistry 2014

O consumo excessivo de álcool é recorrente entre universitários e está associado a inúmeras conseqüências negativas. Fatores ambientais (bottom-up) podem favorecer este consumo (ex.: influência do grupo, pistas associadas à droga). Além destes, fatores individuais podem influenciar o comportamento de beber desta população, entre eles fatores cognitivos (top-down). Bebedores freqüentes tendem a apresentar um viés atencional para estímulos associados ao álcool. Com o uso repetido do álcool, pistas ambientais associadas aos efeitos desta droga tornam-se salientes, em função de suas propriedades reforçadoras, atraindo a atenção do usuário em detrimento de outros estímulos e exacerbam o desejo de beber. O uso freqüente de álcool também tem sido relacionado a um conjunto de expectativas predominantemente positivas acerca dos seus efeitos e riscos para desenvolver dependência que podem influenciar o início e a manutenção do uso. Neste contexto, o objetivo deste estudo foi: a) examinar a relação entre o padrão de consumo e expectativas em relação aos efeitos do álcool entre universitários e b) desenvolver uma tarefa para investigar o viés atencional para pistas relacionadas ao álcool em indivíduos com diferentes padrões de consumo. Participaram deste estudo graduandos da UFRGS (N=79), do sexo masculino, com 22 anos de idade em média (dp=2,81). O padrão de consumo de risco e as expectativas positivas foram acessados através do Alcohol Use Disorders Identification Test (AUDIT) e do Inventário de Expectativas e Crenças Pesssoais acerca do Álcool (IECPA), respectivamente. Participaram deste estudo graduandos da UFRGS (N=79), do sexo masculino, com 22 anos de idade em média (dp=2,81). O padrão de consumo de risco e as expectativas positivas foram acessados através do Alcohol Use Disorders Identification Test (AUDIT) e do Inventário de Expectativas e Crenças Pesssoais acerca do Álcool (IECPA), respectivamente. Examinou-se o viés atencional através de uma tarefa computadorizada. O consumo de risco de álcool, que inclui o beber problemático e o padrão binge, estava associado a altas expectativas positivas em relação aos seus efeitos. Constatou-se que 43% dos participantes eram bebedores de alto risco para desenvolver dependência, conforme o AUDIT. Além disso, 68,4% deles foram caracterizados como bebedores com padrão binge de uso de álcool e 44,3% possuíam expectativas positivas em relação aos efeitos do álcool altas. Houve correlação entre beber problemático e expectativas positivas. Quanto à avaliação do viés atencional, não foi observado nenhum efeito de grupo, de tempo de exposição, nem de interação entre grupo e tempo de exposição. Identificar os fatores top down e bottom-up envolvidos no consumo de álcool de risco é essencial para formulação de modelos teóricos que compreendam este preocupante fenômeno. A avaliação das expectativas a respeito dos efeitos do álcool contribui para o planejamento de intervenções terapêuticas e estratégias preventivas mais precisas, visando a reduzir os riscos comportamentais e de saúde associados ao álcool. Além disso, o estudo do viés atencional pode favorecer o entendimento da relação entre fissura e atenção, da transição do uso ocasional para a dependência e da recaída. / The excessive alcohol consumption is recurrent among college students and it is associated with a variety of negative consequences. Environmental factors (bottom-up) can contribute to this phenomenon (group influences, drug cues). Furthermore, individual factors can also influence drinking behavior of this population, such as cognitive factors (top-down). Drug cues become highly salient as a result of their reinforcing properties, attracting the attention of the drug user in detriment of other stimuli. The exposure to drug cues can increase the desire to drink. Thus, heavy social drinkers show an attentional bias towards alcohol cues. The frequent alcohol use has also been related to a set of positive outcome expectancies and risk to develop drug dependence. These expectancies can influence the maintenance of drug intake. The aim of this study was: to examine the association of risk pattern and alcohol expectancies among college students and b) to develop a task to investigate attentional bias for alcohol cues in individuals with different drink patterns. Participants (N=79, mean age 22, dp=2,81) were college students. The risk pattern and the positive alcohol expectancies were assessed through Alcohol Use Disorders Identification Test (AUDIT) and Inventário de Expectativas e Crenças Pessoais acerca do Álcool (IECPA). The attentional bias was examined using a computerized task. The risk pattern, which includes drinking problematic and binge drinking, was associated with high positive expectancies. Results indicated that 43% of the participants had high risk to develop alcohol dependence. Moreover, 68.4% were binge drinkers and 44.3% had high positive alcohol expectancies. Risk pattern was associated with higher levels of positive alcohol expectancies. Related to the atencional bias assessment, there was not observed any group effect, exposition time, interaction between group and exposition time. Identifying bottom-up and top-down factors associated with the risk pattern of alcohol consumption is important to understand this preoccupant phenomenon. The alcohol expectancies assessment contributes to more efficient planning for therapeutical interventions and preventing strategies to reduce behavioral and health risks associated to the alcohol consumption. Moreover, the study of atencional bias can contribute to the understanding of the relationship between craving and attention, of the transition of the occasional use for the dependence and relapse.

Conselho Nacional de Pesquisa e Desenvolvimento Científico e Tecnológico - CNPq / e recent advances in technology require an increasingly complex treatment from science. Devices intensely miniaturized especially cannot be treated with classical physics only. e quantum approach becomes essential when the size of the conductors reaches the order of the electron characteristic lengths. Systems in this regime exhibit some important features, such as quantum interference and quantization of some quantities, and are named mesoscopic systems. Entanglement is a property with large technological applicability and can only be explained with the quantum approach. e quantum dot is very useful as mesoscopic entangler of electrons. e electron transport in a quantum dot can be described by the scattering matrix. e transmission eigenvalues obtained from the scattering matrix provide some quantities related to the electron transport, including the quanti er of entanglement. In this work we study statistically the entanglement production in a chaotic quantum dot (CCD) with nonideal contacts. ese CCDs are modeled as scattering centers attached to two wave guides having potential barriers and the electron transport is described by random scattering matrices.We consider time reversal and spin rotation symmetries for the cavities so that the scattering matrices belong to theWigner-Dyson ensembles. e concurrence was used for quantifying entanglement and was also statistically investigated. Similarly, we analyse the squared norm which is also dependent of the transmission eigenvalues and represents the probability of the scatterings result in an entangled state.We de ne the entanglement production factor for determining more precisely the e ciency of the entangler. We used a third-party algorithm to generate the scattering matrices and then we found the transmission eigenvalues for each matrix.We computed the averages of concurrence, squared norm and entanglement production factor and generated some of their distribution curves varying the opacities of the leads. / Os recentes avanços da tecnologia requisitam da ciência um tratamento cada vez mais complexo. Os dispositivos com intensa miniaturização, em especial, já não podem ser estudados utilizando-se somente a física clássica. A abordagem quântica se torna essencial quando os condutores alcançam tamanhos da ordem dos comprimentos característicos dos elétrons que são transportados. Sistemas neste regime apresentam algumas características importantes, como interferência quântica e quantização de algumas grandezas, e são chamados mesoscópicos. O emaranhamento é uma propriedade com grande aplicabilidade tecnológica e que só pode ser explicada através do tratamento quântico. A função de onda de um sistema emaranhado não pode ser decomposta em funções de ondas de cada constituinte. Um sistema mesoscópico que tem sido bastante utilizado como emaranhador de elétrons é o ponto quântico. O tansporte de elétrons em um ponto quântico pode ser caracterizado pela matriz de espalhamento. Os autovalores de transmissão extraídos da matriz de espalhamento fornecem algumas quantidades relacionadas ao transporte de elétrons, inclusive a quantificação do emaranhamento. Nesta dissertação estudamos estatisticamente a produção de emaranhamento em um ponto quântico caótico (PQC) com contatos não ideais. Esses PQCs são modelados por centros de espalhamento conectados a guias de ondas com barreiras de potencial e o transporte de elétrons é descrito por matrizes de espalhamento aleatórias. Consideramos para as cavidades dos PQCs as simetrias de reversão temporal e invariância sob rotação de spin, sendo suasmatrizes de espalhamento pertencentes aos ensembles de Wigner-Dyson. A concorrência foi utilizada para quanti car o emaranhamento e o estudamos estatisticamente. Analisamos damesma forma a norma quadrada, também dependente dos autovalores de transmissão e que representa a probabilidade do sistema retornar um estado final emaranhado. Definimos o fator de produção de emaranhamento para determinar de forma mais precisa a eficiência do emaranhamento no PQC. Utilizamos um algoritmo para gerar as matrizes de espalhamento e obter os autovalores de transmissão de cada matriz. Calculamos as médias da concorrência, da norma quadrada e do fator de produção de emaranhamento e também algumas distribuições dessas quantidades variando-se a opacidade dos guias de onda.

nÃo hà / Este trabalho dedica-se ao estudo das propriedades eletrÃnicas de pontos quÃnticos semicondutores contendo muitos elÃtrons confinados. Em particular, serÃo investigados semicondutores contendo muitos elÃtrons confinados. Em particular, serÃo investigados pontos quÃnticos de Si e Ge imersos em matrizes dielÃtricas (SiO2 e HfO2). O mÃtodo teÃrico utilizado para calcular a energia total de um sistema de N elÃtrons confinados baseia-se numa versÃo simplificada do mÃtodo de Hartree-Fock. Neste modelo a energia total e calculada a partir das funÃÃes de onda e estados de energia de uma Ãnica partÃcula Os resultados obtidos mostram que a energia total em pontos quÃnticos de Ge sÃo em geral maiores que em pontos quÃnticos de Si, independentemente do nÃmero de elÃtrons confinados. Isto acontece devido a massa efetiva menor dos elÃtrons no Ge que aumentam as energia de confinamento. Em relaÃÃo ao papel das barreiras dielÃtricas, a energia total à sempre maior nos casos em que o ponto quÃntico està envolvido por SiO2. Fisicamente, isto se deve ao fato de que a barreira de confinamento do SiO2 (3.2 eV) à maior que a do HfO2 (1.5 eV). Barreiras mais baixas favorecem o aumento da extensÃo espacial das funÃÃes de onda, reduzindo a repulsÃo coulombiana dos elÃtrons confinados. Calculou se tambÃm o potencial quÃmico dos pontos quÃnticos em funÃÃo do nÃmero de elÃtrons confinados, e a energia adicional necessÃria para aprisionar mais um elÃtron nos pontos quÃnticos. Verificou-se que o potencial quÃmico dos pontos quÃnticos de Ge sÃo sempre maiores que nos de Si, por em o potencial quÃmico para pontos quÃnticos envoltos em HfO2 sÃo sempre maiores que no caso do SiO2. Em relaÃÃo a energia adicional, observa-se que esta quantidade apresenta fortes oscilaÃÃes e que varia entre 0 e 0.4 eV para todos os casos estudados. Se levarmos em conta que o fenÃmeno conhecido como bloqueio de Coulomb acontece quando a energia adicional à muito maior que a energia tÃrmica (da ordem de 3=2kBT), este fenÃmeno sÃo serà observado quando houver poucos elÃtrons confinados nos pontos quÃnticos. / This work investigates the electronic properties of semiconductor quantum dots in which there are many electrons confined. In particular, we study Si and Ge quantum dots embedded in dielectric matrices (SiO2 e HfO2). The theoretical method used to calculate the total energy of N electrons confined in quantum dots is based on a simplified version of the Hartree-Fock method. In this model, the total energy is obtained from single-particle wavefunctions and eigen-energies. The obtained results show that the total energy in Ge quantum dots are always larger than in Si ones. The reason is the smaller electron e effective mass in Ge, which raises the energies of the confined states. As for the role of the dielectric matrix, the total energy is always larger for SiO2 than for HfO2. Physically, this e effect is caused by the fact that SiO2 has larger confinement barriers (3.2 eV) than HfO2(1.5 eV). Smaller barriers favor larger spatial extent of the wavefunctions, decreasing the repulsion energy of the confined electrons. The chemical potential and additional energy was also calculated as function of the number of confined electrons. It was observed that the chemical potential of Ge quantum dots are always larger than Si ones, but the role of the dielectric matrix is inverted. The chemical potential for HfO2 is larger than for SiO2. With respect to the additional energy, we observed that this quantity strongly oscillates within the range 0 to 0.4 eV for cases. If one takes into account that the Coulomb blockade phenomena is only observed for additional energies much larger the thermal energy (of the order of 3/2kBT), this phenomena can only be observed for the case where there are only a few electrons confined in the quantum dots.

Submitted by Marlene Santos (marlene.bc.ufg@gmail.com) on 2016-10-20T16:57:25Z No. of bitstreams: 2 Dissertação - Rívia Aparecida Reinalda Arruda - 2016.pdf: 3000238 bytes, checksum: 221f622157672c4f34ee32f2aed12d0b (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) / Approved for entry into archive by Jaqueline Silva (jtas29@gmail.com) on 2016-10-21T19:20:24Z (GMT) No. of bitstreams: 2 Dissertação - Rívia Aparecida Reinalda Arruda - 2016.pdf: 3000238 bytes, checksum: 221f622157672c4f34ee32f2aed12d0b (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) / Made available in DSpace on 2016-10-21T19:20:24Z (GMT). No. of bitstreams: 2 Dissertação - Rívia Aparecida Reinalda Arruda - 2016.pdf: 3000238 bytes, checksum: 221f622157672c4f34ee32f2aed12d0b (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Previous issue date: 2016-09-02 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / The main purpose of this study was to assess conformational changes in preselected aptamers A03 and C10 against untranslated regions present in the genome of the dengue virus (DENV), by means of molecular biology and physics assays. Aptamers are nucleic acid molecules with potential theranostic applications. In this context, dengue was the target chosen for study because is an important infectious viral disease presenting high rates of morbidity and mortality in the worldwide, especially in tropical and subtropical areas, where there are high incidences of the mosquito vector Aedes aegypti. These aptamers showed, by dot-blot and magnetic beads ligand capture and subsequent qPCR detection, similar affinities and specificities to binding to the DENV 5'UTR. Probably, the analogy of the motifs and secondary structures presented in these ligands, identified by in silico studies, are responsible for these similarities. Data obtained by using Fluorescence Resonance Energy Transfer Assays (FRET) confirmed the affinity of A03 as DENV ligand by conformational changes in the double labeled aptamer (5’-FAM, 3’-TAMRA). Aptamer conformacional changes resulting from its interaction with the target were detected by the modifications in the fluorescence intensities between FAM and TAMRA fluorophores. These conformational changes results in donor-acceptor distance modification that has an effect on FRET efficiency and on fluorescence intensity of these molecules. The ionic strength of the buffer used in the trials had significant influence on the conformation of the aptamer, allowing the detection of interactions between A03 and DENV. The ions in the buffer lead an effect in the conformation of the aptamer, increasing its thermal stability, and the Mg2+ ion has led to major conformational changes on A03 compared to Na+ ion. The data presented herein demonstrated the importance of the studies of oligonucleotides binding affinity and specificity to Dengue virus. It can be concluded that the A03 and C10 aptamers have potential in application for diagnostic and/or therapeutic purposes, considering the diluent buffer, since different salts have influence on the secondary and tertiary conformational structures of aptamers, and on bioavailability of interaction with the target. / O objetivo principal desse trabalho foi avaliar alterações conformacionais nos aptâmeros A03 e C10 previamente selecionados contra regiões não traduzidas presentes no genoma do vírus da dengue (DENV), por meio de testes de biologia e física molecular. Os aptâmeros são moléculas de ácidos nucleicos com potencial aplicação na teranóstica das mais diversas doenças. Nesse contexto, destaca-se a dengue, uma doença infecciosa viral com altos índices de morbi-mortalidade em um cenário mundial, principalmente em regiões tropicais e subtropicais, onde são altas as incidências do mosquito vetor Aedes aegypti. Esses aptâmeros demonstraram, por meio de dot blot e de captura de ligantes por beads magnéticos com detecção por PCR em Tempo Real, afinidades e especificidades semelhantes de ligação à 5’UTR do DENV. Provavelmente, essas semelhanças se deram em função dos motivos e das estruturas secundárias análogas apresentadas por esses ligantes, obtidas por ensaios in silico. Os ensaios de Transferência Ressonante de Energia de Fluorescência (FRET) permitiram a confirmação dessa afinidade de ligação entre A03:DENV, devido às alterações estruturais ocorridas no aptâmero duplamente marcado em sua sequência (5’-FAM; 3’-TAMRA). As alterações conformacionais no aptâmero resultantes de sua interação com o alvo foram detectadas pelas mudanças nas intensidades de fluorescência do FAM e do TAMRA, decorrentes de alterações nas distâncias entre o doador e o aceitador que afetam a eficiência FRET e por conseguinte as intensidades de fluorescência destas moléculas. A força iônica do tampão utilizado nos ensaios apresentou importante influência na conformação do aptâmero, permitindo a detecção das interações entre A03 e o DENV. Os íons presentes na solução tampão afetaram a conformação estrutural do aptâmero e aumentaram sua estabilidade térmica, sendo que o íon Mg2+ levou a maiores alterações estruturais sobre o A03 comparado ao íon Na+. Os dados aqui apresentados demostraram a importância dos estudos de afinidade e especificidade dos oligonucleotídeos ligantes ao vírus da dengue. É possível concluir que os aptâmeros A03 e C10 apresentam potencial de aplicação para fins diagnósticos e/ou terapêuticos, considerando o tampão diluente, uma vez que os diferentes sais presentes exercem influência sobre as estruturas conformacionais secundárias e terciárias dos aptâmeros, e em sua biodisponibilidade de interação com o alvo.

This thesis consists of a strategy to integrate distributed systems with the aid of web services. The focus of this research involves three subjects, web services and distributed database systems and its application on a real-life project. For defining the context in this thesis, we present the research methodology that provides the path where the investigation will be performed and the general concepts of the running environment and architecture of web services. The mayor contribution for this thesis is a solution for the Chamber Trade in Sweden and VNemart in Vietnam obtaining the requirement specification according to the SPIDER project needs and our software design specification using distributed databases and web services. As results, we present the software implementation and the way or software meets and the requirements previously defined. For future web services developments, this document provides guidance for best practices in this subject.

This thesis focuses on the analysis of the external quantum efficiency of quantum dot-enhanced multi-junction solar cells. Divided in four major parts, it uses the experimental methodology developed in the SUNLAB. At first, a model is introduced to calculate the external quantum efficiency of single and multi-junction solar cells. This model takes into account the semiconductor physics governing the electrical property of the solar cell. It furthermore takes into account the optical transmission and reflection in the semiconductor structure using a transfer matrix method. The calculated curve fits a single junction GaAs solar cell's external quantum efficiency to a high degree of precision. Finally, an InGaP/GaAs/Ge solar cell's external quantum efficiency is calculated and it reproduces accurately the behavior of a measured cell. Second, the reflectivity of a solar cell is studied. An analysis technique involving using the fast Fourier transform of the oscillation in the reflectivity is introduced. This technique extracts the thicknesses of the top and middle subcells. The reflectivity is subsequently calculated using the transfer matrix method and it reproduces the behavior of the measured samples. Third, the effect of the addition of quantum dots in the middle subcell is studied. It is demonstrated that they extend the absorption range of the middle subcell. This is completed by first modeling the quantum mechanical behavior of the electrons and holes in the nanostructure. Their emission and absorption properties are derived. Those derived properties are verified by experimentally measured photoluminescence and electroluminescence of the nanostructures. The resulting model is then compared to experimentally measured external quantum efficiencies of single junction and multi-junction quantum dot-enhanced solar cells. Finally, a study of the bottom subcell artifact is completed. Using the fill-factor bias experiment, each of the contribution of the light coupling and the internal voltage biasing is decoupled. For the measured sample, an optimal voltage of 2.1 V is found to minimize the artifact. At this point, the internal voltage biasing creates an artifact of 1 % and the light coupling artifact is 8 %.