Thesis (Ph.D.)--University of Missouri-Columbia, 2005. / The entire dissertation/thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file (which also appears in the research.pdf); a non-technical general description, or public abstract, appears in the public.pdf file. Title from title screen of research.pdf file viewed on (Novembr 15, 2006) Vita. Includes bibliographical references.

Made available in DSpace on 2018-08-01T23:38:59Z (GMT). No. of bitstreams: 1 tese_10210_Dissertação Taís Ferreira VERSÃO FINAL.pdf: 2281098 bytes, checksum: 3dddcad0c0bcc3dd04f71a793f3a8904 (MD5) Previous issue date: 2018-05-03 / A proposta desta pesquisa é verificar o impacto de variáveis econômicas e sociais sobre a pobreza, mensurada a partir do Índice Multidimensional de Pobreza (IMP) dos estados brasileiros, calculado para o período de 2003 a 2015. Esse índice foi desenvolvido a partir do emprego do método Alkire-Foster e fez uso dos dados da Pesquisa Nacional por Amostra de Domicílios (PNAD). Para atingir o objetivo do estudo, foi aplicada a metodologia econométrica de dados em painel efeitos fixos, na qual o IMP foi a variável dependente e, assim, foi possível testar a relação da mesma com a taxa de participação na economia, a taxa de crescimento, a renda domiciliar per capita, as transferências diretas do governo per capita, as despesas públicas sociais municipais per capita e as despesas públicas sociais estaduais per capita. Os resultados obtidos indicam que políticas voltadas à distribuição de renda direta, como o Programa Bolsa Família, são mais efetivas para a redução da pobreza multidimensional em comparação com as despesas públicas municipais e estaduais. Por outro lado, mesmo com menor impacto, as despesas públicas municipais e estaduais também reduzem a pobreza. Os estados das regiões Norte e Nordeste apresentaram os maiores IMPs e o indicador não possuir nenhum tipo de contribuição junto à previdência foi aquele no qual os indivíduos apresentaram maior carência dentro do período analisado.

New mono-chelate complexes with ferrocenyl (Fc), octamethylferrocenyl (Me8Fc) and diaminophenyl (Dap) donor groups, connected through a conjugated bridge, to ZnCl2, Zn(OAc)2 or ReCl(CO)3 acceptor groups, are described. A thorough characterisation of the complexes is provided, including single crystal structures for one pro-ligand and three complexes. Visible d(FeII)→π* metal-to-ligand charge-transfer (MLCT) bands accompany π→π* intraligand charge-transfer absorptions in the UV region. TD-DFT calculations confirm the nature of these absorptions and indicate transitions at higher energies also contain some d(FeII)→π* character. Fc and Me8Fc containing chromophores display a fully reversible oxidation process when probed electrochemically. Molecular quadratic nonlinear optical (NLO) responses are determined using hyper-Rayleigh scattering (HRS) and Stark spectroscopy. Larger β values are determined for complexes with Dap donors and ReICl(CO)3 acceptors. A family of novel fac-ReI(Lax)(CO)3(N-N) complexes, where N-N is 4,4′-dicyano-2,2′-bipyridyl (dcnbpy) or 4,4′-bis-(p-cyanophenyl)-2,2′-bipyridine (bbnbpy), with various axial ligands (Lax) are reported. The ReI complexes are useful precursors for metalation with electron-rich RuII ammine donor groups, to prepare novel tri-metallic V-shaped molecules. Single crystal X-ray structures are reported for five ReI complexes, confirming the fac geometry of the carbonyl ligands; the ReI complexes also display stretching frequencies typical of fac-ReI(Lax)(CO)3(N-N) complexes. The UV-visible spectra contain a low intensity band due to a d(ReI)→π*(bpy) transition, along with a more intense π→π* band. 1H NMR studies reveal the formation of trimetallic complexes, upon treatment of ReI complexes with a molar excess of [RuII(NH3)5(H2O)][PF6]2.The synthesis of octupolar heptametallic complexes containing RuII ammine donor groups has been investigated. The ligand 4,4′-bis-[(E)-2-(4-cyanophenyl)ethenyl]-2,2′-bipyridine (bbnpe) was used to prepare tris-chelate complexes of various transition metals, in order to understand its complexation behaviour. The ZnII tris-chelate BPh4– salt was treated with a 10 molar excess of a RuII ammine aquo complex, to produce the heptametallic complex as a mixed anion salt. HRS and Stark spectroscopy have been used to determine the quadratic NLO response for the heptametallic mixed anion complex salts, the latter gives large β0 values, approximately 10–27 esu. Density functional theory (DFT) calculations have been carried out on twelve cationic, 2D NLO chromophores with pyrazinylbis(pyridinium) electron acceptors with either 4-(methoxy/dimethylamino)-phenyl or pyridyl coordinated {RuII(NH3)5}2+/trans-{RuII(NH3)4(py)}2+ electron donor groups and the results compared with data previously obtained experimentally. The B3LYP/6-311G(d) level of theory was used to model the absorption spectra and to calculate static hyperpolarisability (β0) values, whilst the B3LYP/LANL2DZ/6-311G(d) level was used for the complexes. The extent of prediction of trends in ICT bands and β0 is partial, with the main discrepancies relating to the progression from one to two electron donor groups. The quantitative accuracy of predictions diminishes as the systems depart from a relatively simple one-dimensional (1D) dipolar motif.

Neurotransmitters are endogenous compounds located in the brain and can occur in other parts of the body at low concentrations. They are a challenging group of compounds when it comes to analysis. Compounds with amine functionality such as dopamine and serotonin are sensitive to high pH and light and can spontaneously oxidize and degrade. Since neurotransmitters exist at low levels, it can be difficult to achieve sufficient spectrometry data and clean chromatography. In order to improve data acquisition, derivatization and the use of multidimensional liquid chromatography (2D-LC) was evaluated. Dopamine, L-3,4-dihydroxyphenylalanine (L-DOPA), serotonin, tyrosine, tryptophan, and noradrenaline were the compounds of interest with tyramine included as an internal standard. Data was collected before and after derivatization to compare the resulting chromatography. Chromatography was completed using a 6x6 grid of methods with variables of organic solvent, elution pH, loading pH, and trapping column chemistry utilizing different elution column chemistries. Derivatization was examined with Dabsyl-Cl and Dansyl-Cl at pH 8.5, 9.5, 10.5, and 14. A final method was chosen with Dabsyl at pH 8.5 for the Multiple Reaction Monitoring (MRM) scans. Before derivatization, the chromatography had poor peak shapes such as tailing, fronting, or shouldering or too much distortion to be able to distinguish a peak for all of the examined methods. Resulting chromatography after derivatization showed overall improvement in peak shape and intensity for a majority of the methods. Derivatization aided in increasing the mass and stability of the compounds which allowed for more sensitive detection. Multidimensional liquid chromatography improved the separation of structurally similar compounds and increased sensitivity. By combining the two, better analysis of neurotransmitters was possible.

Abstract Not Provided / Thesis / Master of Arts (MA)

No description available.

The objective of this work is the development of novel, efficient and reliable multidi- mensional adaptive quadrature routines defined over simplices (MAQS). MAQS pro- vides an approximation to the integral of a function defined over the unit hypercube and provides an error estimate that is used to drive a global subdivision strategy. The quadrature estimate is based on Lagrangian interpolation defined by using the vertices, edge nodes and interior points of a given simplex. The subdivision of a given simplex is chosen to allow for the reuse of points (thus function evaluations at those points) in successive refinements of the initial tessellation. While theory is developed for smooth functions, this algorithm is well suited for functions with discontinuities in dimensions three through six. Other advantages of this approach include straight-forward parallel implementation and application to integrals over polyhedral domains. / Ph. D.

Projeções Multidimensionais são úteis para gerar visualizações adequadas para apoiar a análise exploratória de uma grande variedade de dados complexos e de alta dimensionalidade. Tarefas de análise visual de dados têm se beneficiado de projeções para explorar dados textuais, de imagens, de sensores, entre outros. Porém, diferentes técnicas de projeção e diferentes parametrizações de uma mesma técnica produzem resultados distintos para um mesmo conjunto de dados, pois as técnicas adotam estratégias distintas para representar os dados originais em um espaço cuja dimensionalidade permite sua visualização. Atualmente, ainda há poucos recursos para avaliar a qualidade dessas projeções e, em geral, as soluções existentes avaliam propriedades específicas, demandando grande esforço do analista para uma avaliação mais abrangente. Neste trabalho, introduzimos um arcabouço para computar medidas de avaliação de projeções com enfoque em análise de vizinhanças e de agrupamentos. Para elaborar este arcabouço, foi realizado um estudo de percepção para entender melhor como os usuários observam as projeções e foi conduzida uma investigação de representações dos dados capazes de favorecer a identificação de vizinhanças e de agrupamentos. Os padrões identificados no estudo de percepção auxiliaram a validar a representação dos dados, em que foi proposto um modelo de grafo, chamado de Extended Minimum Spanning Tree (EMST), capaz de capturar características condizentes com as observações dos participantes no estudo. O grafo EMST também foi validado por meio de dois estudos comparativos de identificação de vizinhanças e de agrupamentos. Com base neste arcabouço foram propostas cinco medidas de qualidade de projeções multidimensionais, duas delas para avaliar características relacionadas à separação visual das classes, e outras três para avaliar a preservação de propriedades do espaço original, especificamente a separação das classes, as vizinhanças e os agrupamentos. As medidas são ilustradas por meio de sua aplicação a conjuntos de dados artificiais, favorecendo a sua interpretação, bem como a conjuntos de dados reais, evidenciando a sua potencial utilidade em cenários reais. Também é apresentada uma comparação das novas medidas de preservação de vizinhanças com medidas similares descritas na literatura, permitindo identificar diferenças e semelhanças entre elas. / Multidimensional projections are valuable tools to generate visualizations that support exploratory analysis of a wide variety of complex high-dimensional data. Many examples are found in the literature of visual data analysis tasks that employ projections to explore, for instance, text, image, network and sensor data. Nonetheless, dierent projection techniques applied to a particular data set, or even alternative parameterizations of a single technique, can produce very distinct outcomes, as techniques adopt different strategies to reduce data dimensionality. Few resources are available to support assessing projection quality and, in general, existing solutions focus on specific properties. Thus, a broader assessment typically requires considerable human effort. In this work we introduce a framework to compute projection evaluation measures that focus on neighborhoods and clusters. To elaborate this framework we conducted (i) an experimental study to better understand how users perceive projections and (ii) an investigation of possible data representations capable of favoring the identification of neighborhoods and clusters. The observations resulting from the experimental study have been considered to propose and validate a novel graph data model, called Extended Minimum Spanning Tree (EMST), which captures data properties shown to be consistent with the observations by the participants in the study. The EMST graph has been validated by means of two comparative studies conducted to identify neighborhoods and clusters in multidimensional data. Under this framework, five novel measures of projection quality are introduced, two of them to assess properties related to the visual separation of classes, and three to assess the preservation of data properties in the original space, in particular the preservation of class separation, the preservation of neighborhoods and the preservation of groups. The quality measures have been applied to projections of synthetic data sets, favoring their understanding and interpretation, and also to projections of real data sets, illustrating their potential applicability in real scenarios. The newly introduced neighborhood preservation measures are also compared with existing methods in order to illustrate their differences and similarities.

Projeções Multidimensionais são úteis para gerar visualizações adequadas para apoiar a análise exploratória de uma grande variedade de dados complexos e de alta dimensionalidade. Tarefas de análise visual de dados têm se beneficiado de projeções para explorar dados textuais, de imagens, de sensores, entre outros. Porém, diferentes técnicas de projeção e diferentes parametrizações de uma mesma técnica produzem resultados distintos para um mesmo conjunto de dados, pois as técnicas adotam estratégias distintas para representar os dados originais em um espaço cuja dimensionalidade permite sua visualização. Atualmente, ainda há poucos recursos para avaliar a qualidade dessas projeções e, em geral, as soluções existentes avaliam propriedades específicas, demandando grande esforço do analista para uma avaliação mais abrangente. Neste trabalho, introduzimos um arcabouço para computar medidas de avaliação de projeções com enfoque em análise de vizinhanças e de agrupamentos. Para elaborar este arcabouço, foi realizado um estudo de percepção para entender melhor como os usuários observam as projeções e foi conduzida uma investigação de representações dos dados capazes de favorecer a identificação de vizinhanças e de agrupamentos. Os padrões identificados no estudo de percepção auxiliaram a validar a representação dos dados, em que foi proposto um modelo de grafo, chamado de Extended Minimum Spanning Tree (EMST), capaz de capturar características condizentes com as observações dos participantes no estudo. O grafo EMST também foi validado por meio de dois estudos comparativos de identificação de vizinhanças e de agrupamentos. Com base neste arcabouço foram propostas cinco medidas de qualidade de projeções multidimensionais, duas delas para avaliar características relacionadas à separação visual das classes, e outras três para avaliar a preservação de propriedades do espaço original, especificamente a separação das classes, as vizinhanças e os agrupamentos. As medidas são ilustradas por meio de sua aplicação a conjuntos de dados artificiais, favorecendo a sua interpretação, bem como a conjuntos de dados reais, evidenciando a sua potencial utilidade em cenários reais. Também é apresentada uma comparação das novas medidas de preservação de vizinhanças com medidas similares descritas na literatura, permitindo identificar diferenças e semelhanças entre elas. / Multidimensional projections are valuable tools to generate visualizations that support exploratory analysis of a wide variety of complex high-dimensional data. Many examples are found in the literature of visual data analysis tasks that employ projections to explore, for instance, text, image, network and sensor data. Nonetheless, dierent projection techniques applied to a particular data set, or even alternative parameterizations of a single technique, can produce very distinct outcomes, as techniques adopt different strategies to reduce data dimensionality. Few resources are available to support assessing projection quality and, in general, existing solutions focus on specific properties. Thus, a broader assessment typically requires considerable human effort. In this work we introduce a framework to compute projection evaluation measures that focus on neighborhoods and clusters. To elaborate this framework we conducted (i) an experimental study to better understand how users perceive projections and (ii) an investigation of possible data representations capable of favoring the identification of neighborhoods and clusters. The observations resulting from the experimental study have been considered to propose and validate a novel graph data model, called Extended Minimum Spanning Tree (EMST), which captures data properties shown to be consistent with the observations by the participants in the study. The EMST graph has been validated by means of two comparative studies conducted to identify neighborhoods and clusters in multidimensional data. Under this framework, five novel measures of projection quality are introduced, two of them to assess properties related to the visual separation of classes, and three to assess the preservation of data properties in the original space, in particular the preservation of class separation, the preservation of neighborhoods and the preservation of groups. The quality measures have been applied to projections of synthetic data sets, favoring their understanding and interpretation, and also to projections of real data sets, illustrating their potential applicability in real scenarios. The newly introduced neighborhood preservation measures are also compared with existing methods in order to illustrate their differences and similarities.

La presente investigación aporta a la literatura económica un enfoque dinámico sobre la vulnerabilidad a la pobreza multidimensional, siendo el primer estudio acerca de este tema que se apoya en técnicas de data panel. Asimismo, la importancia de este análisis radica en la utilización de la pobreza multidimensional como medida de bienestar de los hogares, debido a que, medir la pobreza desde esta perspectiva permite tener el panorama completo de las diferentes carencias que afrontan los pobres al mismo tiempo. En cuanto a la vulnerabilidad, siguiendo el modelo propuesto por Dang y Lanjouw (2014), se estima la probabilidad que tienen los hogares de entrar en una situación de pobreza, y en base a ello, se construye una Línea de Vulnerabilidad que permite identificar a la población vulnerable. Otro aporte importante, es que este enfoque de vulnerabilidad no considera a los hogares pobres que tienen una alta probabilidad de seguir siendo pobres, identificando los determinantes de la entrada a la pobreza. Del estudio realizado a los hogares peruanos durante el período 2015-2018, se concluye que, la pobreza multidimensional abarca al 25% de los hogares frente al 20% que identifica la medida de pobreza tradicional; y que, los hogares vulnerables representan el 28% de los hogares no pobres. Este último porcentaje aumenta con factores como la dependencia económica, hacinamiento de la vivienda y desastres naturales; mientras que, se reduce cuando el jefe del hogar pertenece al sector económico formal, tiene una cuenta financiera y se encuentra afiliado a un sistema de pensiones. / This research contributes to the economic literature of a dynamic approach on vulnerability to multidimensional poverty, being the first study on this topic that is supported on data panel techniques. Furthermore, the importance of this paper is based on the analysis of multidimensional poverty as a measure of household well-being, because measuring poverty from this perspective allows us to have a complete overview of poor’s needs on each dimension that is define. Regarding vulnerability, following the model proposed by Dang and Lanjouw (2014), the probability that households have of entering a situation of poverty is estimated and based on this, builds a Vulnerability Line to identify the vulnerable population. Another important input is that this approach doesn’t consider poverty households who has a high estimate of still being poor, by identifying the determinants of the entry to poverty. From the study carried out on Peruvian households during the 2015-2018 period, it is concluded that multidimensional poverty covers 25% of households compared to 20% that identifies the traditional poverty measure; and that vulnerable households represent 28% of non-poor households. This last percentage increases with factors such as economic dependence, overcrowding of housing and natural disasters; while, it is reduced when the head of the household belongs to the formal economic sector, has a financial account and is affiliated with a pension system. / Trabajo de investigación