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Métodos de amostragem no levantamento da diversidade arbórea do Cerradão da Estação Ecológica de Assis. / Sampling methods used in the tree diversity survey in Cerradão at The Ecological Study Station in the city of Assis.Daniela Andrade Medeiros 24 February 2005 (has links)
Apesar de ocupar cerca de 25% do território nacional e abrigar, potencialmente, um terço da fauna e flora brasileira, o bioma cerrado é classificado como um hotspot por apresentar expressiva redução de biodiversidade. Perante este quadro, este trabalho teve por objetivo comparar os métodos de amostragem de parcelas de área fixa e de ponto quadrante em uma área com predominância da fisionomia cerradão (savana florestada) na Estação Ecológica de Assis (SP), estando inserido no projeto temático Métodos de Inventário da Biodiversidade de Espécies Arbóreas\", do Programa BIOTA/FAPESP. A área estudada é representada por uma grade amostral sistemática que contém 64 parcelas de 90 x 10 m (900 m2), inseridas em 8 linhas distantes 100 m entre si, com 8 parcelas em cada linha. Estas foram subdivididas em 9 subparcelas de 10 x 10 m, com um intervalo de 10 m não amostrado entre as parcelas nas linhas. Os pontos quadrantes foram instalados em cada limite entre as subparcelas. Os indivíduos arbóreos com DAP maior ou igual a 4,77 cm foram inseridos nesta amostragem, sendo posteriormente identificados. Partindo-se deste delineamento amostral e, diante da ocorrência de fragmentos de cerrado strictu sensu juntamente com áreas de cerradão, simulou-se a existência de nove tamanhos de parcela, variando de 100 a 900 m2, a fim de avaliar como esses diferentes tamanhos, bem como o método do ponto quadrante, interferem no esforço amostral, na estimativa da densidade e nos índices fitossociológicos e de diversidade. Ao final do levantamento, o método de parcelas de 900 m2 incluiu 102 espécies, distribuídas em 45 famílias, enquanto que o método do ponto quadrante amostrou 71 espécies, distribuídas em 37 famílias. Os resultados encontrados em ambos os métodos quanto ao Índice de Valor de Importância apontaram as espécies Copaifera langsdorffii, Vochysia tucanorum e Ocotea corymbosa como as mais importantes; já a família Myrtaceae se destacou nestes dois métodos quanto à riqueza de espécies. A curva de esforço amostral do método do ponto quadrante incluiu um número de espécies semelhante à curva das parcelas de 200 m2, com a vantagem de apresentar maior praticidade de instalação no campo. Os valores do Índice de Diversidade de Shannon foram inferiores a outros biomas, enquanto que o Índice de Diversidade de Simpson não pôde ser o mais indicado para o cerradão estudado, por não ser sensível à ocorrência de espécies com apenas um indivíduo na parcela. Para a determinação da diversidade arbórea do cerradão da E. E. Assis, recomendou-se o uso da parcela de 400 m2. Já na estimativa da densidade, as parcelas de 700 m2 foram as mais adequadas; entretanto, devido à grande variabilidade deste parâmetro na área, sugeriu-se uma estratificação da área de amostragem. / Cerrado biome is classified as a hotspot, because it presents an expressive reduction on the biodiversity, despite of occupying around 25% of the national territory and potentially sheltering one third of the Brazilian fauna and flora. In this scenario, this work had as objective to compare the fixed area plots and the point-centered quarter sampling methods in an area with a cerradão (savanna woodland) physiognomy at the Ecological Study Station in the city of Assis (SP), which is part of the Tree Species Biodiversity Inventory Methods, a thematic project of BIOTA/FAPESP Program. The studied area is represented by a systematic sampling frame containing 64 plots, measuring 90 x 10 m (900 m2), inserted in 8 lines, which is 100 m away from each other, with 8 plots in each line. They were divided into 9 sub-plots measuring 10 x 10 m, with a 10-m non-sampled gap between the plots in the lines. The point-centered points were installed in each limit between the sub-plots. The arboreal individuals with DBH equal or larger than 4.77 cm were set in this sampling and identified later. From this sampling design and due to the presence of fragments of cerrado strictu sensu together with areas of cerradão, it was simulated the existence of nine size samples varying from 100 to 900 m2 aiming evaluating how these different sizes and the point-centered quarter method interfere in the sampling effort, in the density estimates, and in the phytossociological and diversity indexes. At the end of the surveying, the 900-m2-plot method included 102 species, distributed in 45 families, whereas in the center-pointed quarter method 71 species were sampled, distributed in 37 families. The results found in both methods in relation to the Importance Value Index showed Copaifera langsdorffii, Vochysia tucanorum, and Ocotea corymbosa as the most important ones; Myrtaceae family stood out on both methods in relation to species richness. The sampling effort curve of the point-center quarter method included a number of species similar to the 200-m2 plots curve, with an advantage of being easier to be installed in the field. The Shannon Index values were lower than in the other biomes, whereas the Simpson Index could not be the best indicated for the cerradão under study, because it was not sensitive to the presence of species with only one individual in the plot. It was recommended the use of 400-m2 plots in order to determine the tree diversity in the cerradão at the Ecological Study Station in the city of Assis. The most adequate plots to estimate the density were the 700-m2 ones. However, stratification on the sampling area was suggested due to the great variability of this parameter in the area.
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Simulações atomísticas de eventos raros através de Transition Path Sampling / Atomistic simulation of rare events using Transition Path SamplingPoma Bernaola, Adolfo Maximo 09 October 2007 (has links)
Orientador: Maurice de Koning / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Made available in DSpace on 2018-08-08T20:27:57Z (GMT). No. of bitstreams: 1
PomaBernaola_AdolfoMaximo_M.pdf: 3697892 bytes, checksum: a07c1ad647a61d9862283f697732410e (MD5)
Previous issue date: 2007 / Resumo: Nesta dissertação abordamos o estudo de uma das limitações da simulação atomística denominada o evento raro, quem é responsável pela limitação temporal, exemplos de problemas que envolvem os eventos raros são, o enovelamento de proteínas, mudanças conformacionais de moléculas, reações químicas (em solução), difusão de sólidos e os processos de nucleação numa transição de fase de 1a ordem, entre outros.
Métodos convencionais como Dinâmica Molecular (MD) ou Monte Carlo (MC) são úteis para explorar a paisagem de energia potencial de sistemas muito complexos, mas em presença de eventos raros se tornam muito ineficientes, devido à falta de estatística na amostragem do evento. Estes métodos gastam muito tempo computacional amostrando as configurações irrelevantes e não as transições de interesse.
Neste sentido o método Transition Path Sampling (TPS), desenvolvido por D. Chandler e seus colaboradores, consegue explorar a paisagem de energia potencial e obter um conjunto de verdadeiras trajetórias dinâmicas que conectam os estados metaestáveis em presença de evento raros. A partir do ensemble de caminhos a constante de reação e o mecanismo de reação podem ser extraídos com muito sucesso.
Neste trabalho de mestrado implementamos com muito sucesso o método TPS e realizamos uma comparação quantitativa em relação ao método MC configuracional num problema padrão da isomerização de uma molécula diatômica imersa num líquido repulsivo tipo Weeks-Chandler-Andersen (WCA). A aplicação destes métodos mostrou como o ambiente, na forma de solvente, pode afetar a cinética de um evento raro / Abstract: In this dissertation we aproach the study of one of the limitations of the atomistic simulation called the rare event, which is responsible for the temporal limitation. Examples of problems that involve the rare event are the folding protein, conformational changes in molecules, chemical reactions (in solution), solid diffusion, and the processes of nucleation in a first-order phase transition, among other.
Conventional methods as Molecular Dynamics (MD) or Monte Carlo (MC) are useful to explore the potencial energy landscape of very complex systems, but in presence of rare events they become very inefficient, due to lack of statistics in the sampling of the event. These methods spend much computational time sampling the irrelevant configurations and not the transition of interest.
In this sense, the Transition Path Sampling (TPS) method, developed by D. Chandler and his collaborators, can explore the potential energy landscape and get a set of true dynamical trajectories that connect the metastable states in presence of the rare events. From this ensemble of trajectories the rate constant and the mechanism of reaction can be extracted with great success.
In this work we implemented the TPS method and carried out a quantitative comparison in relation to the configurational MC method in a standard problem of the isomerization of a diatomic molecule immersed in a Weeks-Chandler-Andersen (WCA) repulsive fluid. The application of these methods showed as the environment, in the form of solvent, can affect the kinetic of a rare event / Mestrado / Física Estatistica e Termodinamica / Mestre em Física
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Dinâmica populacional de afídeos (Hemiptera: Aphididae) em árvores cítricas no município de Nova Granada - SP / Population dynamics of aphids (Hemiptera: Aphididae) on citrus trees in Nova Granada County, São Paulo State, BrazilEduardo Luiz Vescove Primiano 26 October 2005 (has links)
O possível envolvimento de afídeos na transmissão de vírus associados à morte súbita dos citros (MSC) indica a necessidade de monitoramento desses insetos para melhor compreender sua dinâmica populacional e a epidemiologia da doença. Esta pesquisa teve como principal objetivo a determinação das principais espécies de afídeos que colonizam pomares de laranja doce [Citrus sinensis (L.) Osbeck] de um município afetado pela MSC, no Norte do Estado de São Paulo, bem como o estudo da dinâmica populacional destes insetos. Preliminarmente, padronizou-se uma metodologia de amostragem de afídeos, baseando-se em uma análise da distribuição espacial destes insetos na copa de árvores cítricas, em dois pomares de laranja doce, localizados em Comendador Gomes-MG e Santa Cruz do Rio Pardo-SP. Em cada pomar, delimitou-se um talhão com 960 plantas numeradas, no qual 100 plantas foram selecionadas ao acaso, para as avaliações. Cada árvore foi dividida em três estratos: i) inferior (0 1,0 m); ii) médio (1,0 1,8 m); e iii) superior (>1,8 m). Os estratos foram divididos em quadrantes (Leste, Oeste, Norte e Sul), amostrando-se uma brotação por quadrante, totalizando 12 brotações por planta. Através de análise de variância, observou-se efeito de planta e de estrato na densidade populacional dos afídeos, havendo menor número de afídeos no terço inferior em relação aos terços médio e superior da planta. Não houve efeito significativo de quadrantes nem da interação estrato x quadrante na estimativa populacional de afídeos. Definiu-se que a avaliação de uma brotação de cada quadrante do terço médio da copa, em 150 plantas, seria o procedimento mais adequado para o monitoramento de afídeos, visando-se ao estudo de dinâmica populacional. Utilizando-se este método de amostragem, iniciaram-se avaliações quinzenais de afídeos em dois talhões de laranja doce (Valência enxertada sobre limão Cravo) com idades diferentes (4 e 10 anos), no município de Nova Granada-SP, no período de abril/2003 a abril/2005. Simultaneamente, foram realizadas avaliações de brotações nas árvores cítricas, obtendo-se valores médios do número de brotações por m2 e do comprimento das brotações para cada talhão. Através de análises de regressão linear múltipla, os dados populacionais dos afídeos foram correlacionados com variáveis climáticas (temperaturas média, mínima e máxima; umidade relativa do ar e precipitação pluviométrica) registradas 30 dias antes da amostragem dos afídeos, e com variáveis fenológicas (comprimento das brotações e número de brotações/m²) registradas no dia da amostragem. Foram coletados afídeos das espécies Aphis gossypii Glover, A. spiraecola Patch e Toxoptera citricida Kirkaldy, com predominância de colônias de A. gossypii e A. spiraecola no pomar com 4 anos, e de colônias de T. citricida no pomar com 10 anos. A ocorrência desses afídeos em árvores cítricas coincide com períodos de brotações nos pomares, tanto em épocas de estiagem como em épocas de maior precipitação pluviométrica. O número de brotações cítricas/m², o comprimento das brotações e a temperatura são os fatores mais freqüentemente associados ao desenvolvimento das colônias de afídeos em árvores cítricas. A. gossypii, A. spiraecola e T. citricida mostram maiores picos de incidência de formas aladas em ramos cítricos nos meses de inverno (julho a setembro). As espécies T. citricida, A. gossypii e A. spiraecola diferem na capacidade de distorcer folhas e brotações cítricas, sendo que a última é a principal responsável por este tipo de dano direto. / Because aphids are possibly involved in the spread of viruses associated with a new and destructive disease, citrus sudden death (CSD), it is important to know their population dynamics in order to understand disease epidemiology. The goal of this research was to determine the main aphid species that colonize citrus groves [Citrus sinensis (L.) Osbeck] in CSD-affected areas of northern State of São Paulo, as well as to study their population dynamics. In order to establish procedures for sampling aphids that colonize citrus, a preliminary study of spatial distribution of these insects on the canopy of citrus trees was carried out in two sweet orange groves in Comendador Gomes-MG and Santa Cruz do Rio Pardo-SP. In each grove, 100 trees were randomly sampled in an experimental plot with 960 numbered plants. Each tree canopy was divided in three strata: i) lower (0 1,0 m); ii) medium (1,0 1,8 m); and iii) upper (>1,8 m). The canopy strata were subdivided in quadrants (E, W, N, S). Twelve young branches were sampled from each tree (1 per quadrant; 4 per stratum). By using analysis of variance, significant effects of plant and canopy stratum on aphid population were observed, with lower numbers of nymphs and adults found on the lower stratum than on the medium and upper strata. Aphid population was not influenced by quadrant or stratum x quadrant interaction. It was determined that sampling of 4 young branches (1 per quadrant) of the medium stratum from 150 citrus trees would be an adequate procedure for monitoring aphids on citrus trees, in order to obtain accurate population estimates for the population dynamics study. By using this sampling method, aphid surveys were carried out fortnightly in two sweet orange groves (Valência grafted on rangpur lime), 4 and 10 years old, in Nova Granada County, from April/2003 to April/2005. Simultaneous observations of mean number of young shoots/m2 of citrus canopy and mean shoot length were also conducted. By using multiple linear regression analysis, aphid numbers were correlated with local climatic variables (minimum, medium and maximum temperatures; relative humidity and rainfall) recorded 30 days before aphid sampling, as well as with phenological variables (mean number of young shoots/m2 and mean shoot length) recorded on the sampling date. Aphis gossypii Glover, A. spiraecola Patch, Toxoptera citricida Kirkaldy were the main aphid species sampled. A. gossypii and A. spiraecola were the prevalent species in the 4-year old grove, whereas T. citricida prevailed in the 10-year old grove. Aphid colonies were detected on citrus trees during periods of young shoot production, in different seasons, with either low (winter) or high (summer) rainfall. Mean number of young shoots/m2, mean shoot length and temperature were the main factors associated with aphid colony development on citrus trees. Peaks of A. gossypii, A. spiraecola and T. citricida alatae on citrus branches occurred during the winter months (July through September). A. spiraecola, A. gossypii and T. citricida differed in the ability to cause severe leaf deformation in the young shoots; this type of direct damage was mostly associated with colonies of the first species.
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Estudo de parâmetros populacionais de plantios clonais de Eucalyptus spp. a partir de nuvens de pontos obtidos com escaneamento a laser aerotransportado / Study of population parameters from clonal Eucalyptus spp. plantation using point clouds obtained with airborne laser scanningDanitiele Cristina França Laranja 11 July 2016 (has links)
As florestas plantadas contribuem para o desenvolvimento econômico, social e ambiental brasileiro, e o setor florestal busca plantios cada vez mais produtivos e melhor aproveitados. A tecnologia a laser aerotransportada (ALS - Airborne Laser Scanning), capaz de gerar informações tridimensionais precisas em extensas áreas e em pequeno intervalo de tempo, tem se destacado nas aplicações florestais, sendo utilizada na quantificação e caracterização de florestas. Neste estudo foram utilizados dados ALS obtidos em dois sobrevoos (2013 e 2014), cobrindo uma área de plantio do gênero Eucalyptus com diferentes clones e idades, localizada no estado de São Paulo. Esta dissertação é dividida em três partes. A primeira buscou avaliar a combinação de métricas ALS e de dupla amostragem nas estimativas de volume e na redução da intensidade amostral, comparando seus resultados aos de métodos amostrais tradicionais. Os resultados mostraram que a dupla amostragem obteve o menor erro de amostragem dentre os delineamentos, permitindo a redução do esforço amostral. A segunda parte visou caracterizar as diferenças estruturais existentes entre clones de eucalipto, com diferentes idades, a partir de métricas ALS e perfis de altura do dossel (CHP). O estudo mostrou que é possível distinguir a estrutura do dossel dos clones, o que pode contribuir com melhorias nas estimativas e no gerenciamento dos plantios comerciais. Na última parte, foram avaliados dois algoritmos de detecção de árvores individuais quanto à quantificação dos indivíduos e os efeitos da composição (tamanho de célula e filtragem) do modelo digital de alturas (CHM) no desempenho desses algoritmos. Verificou-se que as características do CHM influenciam na detecção. A estratégia com melhor desempenho resultou em um erro médio relativo de 11% no número de indivíduos. / Planted forests contribute to the economic, social and environmental development of Brazil, and the forest industry aims to increase productivity and the efficient use of these plantations. Airborne Laser Scanning (ALS) technology, capable of generating accurate three-dimensional information, covering large areas in a short time, has highlighted potential in forestry applications and has been applied in forests quantification and characterization. In this study, ALS data were obtained from two flights (2013 and 2014), covering a Eucalyptus plantation area with different clones and ages, in the state of São Paulo. This thesis comprises three parts. The first study aimed to evaluate the combination of ALS metrics and double sampling design for volume estimates and reducing sampling intensity, comparing the results to traditional sampling methods. Results showed that the double sampling had the lowest error from the designs, allowing the reduction of the sampling effort. The second part was proposed to characterize the structural differences between Eucalyptus clones with different ages, based on metrics ALS and canopy height profiles (CHP). The study showed that it is possible to distinguish the canopy structure of the clones, which can contribute to improvements in estimates and management of commercial plantations. In the last study, two individual tree detection algorithms were evaluated for quantification of individuals, and the effect of the canopy height model (CHM) composition at the performance of these algorithms was analyzed. It was found that the CHM characteristics influence the tree detection. The strategy with better performance resulted in an average relative error of 11% in number of trees.
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Dépression post-AVC : apport d’une double approche de neuroimagerie et enquête en vie quotidienne / Post-stroke depression : linking MRI to daily life experienceLagadec, Saioa 25 June 2012 (has links)
Près de 30% des patients ayant survécus à un AVC, développent une dépression (DPAVC) dont le retentissement sur la qualité de vie peut être majeur. Sa physiopathologie est encore méconnue et les critères diagnostiques ne sont pas clairement définis. Notre objectif est d'identifier des facteurs précoces neuropsychologiques et de neuroimagerie prédictifs d'une dépression 3 mois après l’AVC.Cinquante-cinq patients présentant un premier AVC, sans antécédent neurologique ou psychiatrique ont été inclus. Dix jours après l’AVC, la sévérité des symptômes dépressifs et anxieux a été évaluée d’une part, par les échelles standard d’Hamilton et d’autre part, en vie quotidienne durant 7 jours, par la méthode d’échantillonnage des expériences (ESM). Au même temps, un examen d’IRM multimodale a été réalisé (IRM fonctionnelle de repos, DTI et 3D T1) afin d'évaluer les modifications anatomo-fonctionnelles de l’organisation cérébrale. Trois mois après l’AVC, une mesure standard de la sévérité des symptômes dépressifs et anxieux est à nouveau effectuée. A partir de ces données nous avons exploré la relation existant entre 1/ la sévérité des symptômes dépressifs et les données IRM 2/ la sévérité des symptômes dépressifs et les données ESM 3/ la sévérité des symptômes dépressifs mesurée par ESM et les modifications anatomo-fonctionnelles cérébrales. Nous avons mis en évidence une modification de la connectivité fonctionnelle entre les régions postérieures du réseau en "default mode", de la même façon que dans les dépressions majeure et vasculaire ; et entre le cortex temporal moyen et ce réseau. A la phase aigue de l’AVC, 2 profils symptomatologiques se distinguent : le premier est caractérisé par une grande fatigue et une forte anhédonie, le deuxième est définit par de la tristesse, une forte anxiété, des pensées négatives et une forte réactivité émotionnelle. Ce dernier est associé au risque de DPAVC à 3 mois. Enfin, nous avons montré que les modifications fonctionnelles du DMN prédictives de l’AVC étaient associées à la réactivité émotionnelle, alors que le volume de substance grise du cervelet était corrélé à la fréquence des pensées positives et négatives.En conclusion, la physiopathologie de la DPAVC présenterait des similitudes avec celle de la dépression majeure et de la dépression vasculaire, mais aussi des différences comme l’engagement du cortex temporal moyen au sein du réseau en « default mode ». De plus, cette étude suggère qu'à côté de l'implication de la lésion cérébro-vasculaire, des critères de vulnérabilité psychobiologiques antérieurs à l’AVC influenceraient la survenue d’une dépression. / 30% of stroke survivors will experience Post-Stroke Depression (PSD) that is associated to a poor quality of life. PSD is still under-diagnosed due to the absence of clear diagnostic criteria and its pathophysiology remains unknown. The aim of this study was to identify early imaging and psychiatric risk factors of depression 3 months after stroke. Patients with a first ischemic stroke, without any neurologic and psychiatric history were included. Daily-life symptoms were evaluated using ESM 10 days after stroke. Brain MRI acquisition was performed at 10 days after stroke including DWI, FLAIR/T2, resting state fMRI and anatomical sequences. We explored the association between 1/ the severity of depressive symptoms and MRI data 2/ the severity of depressive symptoms and ESM data 3/ the severity of depressive symptoms measured by ESM and MRI data.Results revealed a modification of the functional connectivity between posterior structures of the DMN (Default Mode Network) and between the middle temporal cortex and the DMN. In the acute phase, depressed patients presented either high fatigue and anhedonia or another profile including high anxiety, negative thoughts and emotional reactivity which is associated to the risk of depression 3 months after stroke. Moreover, we demonstrated that functional connectivity modifications within the DMN and the cerebellum grey matter were respectively associated to emotional reactivity and the frequency of positive and negative thoughts.In conclusion, modifications of the DMN were implicated in the physiopathology of PSD in the same way that major or vascular depression, with a specificity represented by the new contribution of the middle temporal cortex within the DMN. Furthermore, this study suggests that more than a stroke lesion, anterior psychobiological vulnerabilities of an individual patient could mediate PSD occurrence.
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The adaptation of Taiwanese immigrants in the Republic of South AfricaTseng, Haunntarng 12 July 2010 (has links)
Please read the abstract in the section 00front of this document / Thesis (DPhil)--University of Pretoria, 2010. / Sociology / unrestricted
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Atmosferski transport i modelovanje raspodele između čvrste i gasovite faze policikličnih aromatičnih ugljovodonika / Atmospheric transport and modelling ofgas-particle partitioning of polycyclicaromatic hydrocarbonsRadonić Jelena 25 April 2009 (has links)
<p>Sprovedeno istraživanje u okviru<br />disertacije obuhvata procenu distribucije<br />16 EPA primarnih policikličnih aromatičnih<br />ugljovodonika između gasovite i čvrste<br />faze u atmosferi, na selektovanim<br />lokalitetima urbanog, industrijskog i<br />ruralnog područja na teritoriji Zapadnog<br />Balkana. Rezultati eksperimentalnog<br />određivanja predstavljali su osnovu za<br />evaluaciju reprezentativnih modela<br />rasprostiranja poluisparljivih organskih<br />jedinjenja kroz površinski atmosferski sloj<br />i raspodele gas/suspendovane čestice,<br />čime je dat uvid u mehanizme koji<br />dominiraju atmosferskom distribucijom<br />policikličnih aromatičnih ugljovodonika.<br />Metodom dijagnostičkih odnosa<br />realizovana je kvalitativna karakterizacija<br />izvora emisije PAH u atmosferu.<br />Korekcijom postojećih empirijskih i<br />teorijskih izraza koji opisuju gas/čestičnu<br />particiju PAH, razvijen je matematički<br />model raspodele policikličnih aromatičnih<br />ugljovodonika u ambijentalnom vazduhu.</p> / <p>Gas-particle distribution of 16 EPA primary<br />polycyclic aromatic hydrocarbons in the<br />atmosphere at the selected sampling sites<br />in urban, industrial and rural area of the<br />Western Balkan countries has been<br />analyzed within the doctoral dissertation.<br />On the basis of obtained experimental<br />data, representative models of transport<br />through surface atmospheric layer and gasparticle<br />partitioning of the semivolatile<br />organic compounds have been evaluated,<br />giving the overview on mechanisms which<br />govern atmospheric distribution of<br />polycyclic aromatic hydrocarbons. Using<br />the method of diagnostic ratio, qualitative<br />characterization of emission sources of<br />PAHs in the atmosphere has been realized.<br />Through correction of actual empirical and<br />theoretical expressions, explaining gasparticle<br />partitioning of PAHs,<br />mathematical model of distribution of<br />polycyclic aromatic hydrocarbons in the<br />ambient air has been developed.</p>
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Determination of Phase Equilibria and the Critical Point Using Two-Phase Molecular Dynamics Simulations with Monte Carlo SamplingPatel, Sonal 15 June 2012 (has links) (PDF)
The two-phase MD technique employed in this work determines the liquid and vapor phase densities from a histogram of molecular densities within phase clusters in the simulation cell using a new Monte Carlo (MC) sampling method. These equilibrium densities are then fitted in conjunction with known critical-point scaling laws to obtain the critical temperature, and the critical density. This MC post-processing method was found to be more easily implemented in code, and it is efficient and easily applied to complex, structured molecules. This method has been successfully applied and benchmarked for a simple Lennard-Jones (LJ) fluid and a structured molecule, propane. Various degrees of internal flexibility in the propane models showed little effect on the coexisting densities far from critical point, but internal flexibility (angle bending and bond vibrations) seemed to affect the saturated liquid densities in the near-critical region, changing the critical temperature by approximately 20 K. Shorter cutoffs were also found to affect the phase dome and the location of the critical point. The developed MD+MC method was then used to test the efficacy of two all-atom, site-site pair potential models (with and without point charges) developed solely from the energy landscape obtained from high-level ab initio pair interactions for the first time. Both models produced equivalent phase domes and critical loci. The model's critical temperature for methanol is 77 K too high while that for 1-propanol is 80 K too low, but the critical densities are in good agreement. These differences are likely attributable to the lack of multi-body interactions in the true pair potential models used here. Lastly, the transferability of the ab initio potential model was evaluated by applying it to 1-pentanol. An attempt has been made to separate the errors due to transferability of the potential model from errors due to the use of a true-pair potential. The results suggested a good level of transferability for the site-site model. The lack of multi-body effects appears to be dominant weakness in using the generalized ab initio potential model for determination of the phase dome and critical properties of larger alcohols.
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Quantifying Asiatic garden beetle (<i>Maladera castanea</i>) populations and their impacts on commercial mint productionConnor Eric Sturr (17583585), Doug richmond (17583727), Elizabeth Y. Long (17583733), Christian Krupke (17583735) 07 December 2023 (has links)
<p dir="ltr">The Asiatic garden beetle (AGB), in its larval stage, has become an increasingly detrimental to the health of commercially grown mint in northern Indiana by feeding on their roots. In my research, I have optimized a method to quantify populations by determining the proper sample size to maintain accurate and precise estimates, determining the best sampling method and sampling scheme. Additionally, I established the relationship between AGB larval feeding and mint performance and have established a threshold of the average number of larvae required to cause significant yield loss. </p>
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Structure des assemblages de fourmis le long d'un gradient d'aridité situé dans le Chaco sec paraguayen/ Structure of ant assemblages along an aridity gradient in the Paraguayan dry Chaco.Delsinne, Thibaut 14 September 2007 (has links)
Contexte: L’importance écologique des fourmis dans les écosystèmes terrestres justifie qu’elles soient considérées comme groupe cible pour des actions de conservation. De plus, de par leur abondance, leur facilité de récolte et leur réponse à des perturbations, elles présentent un potentiel intéressant comme groupe indicateur précoce de l’état de santé des écosystèmes. Par contre, pour le choix d’aires à protéger, leur utilité comme intégrateur des conditions de milieu par rapport à des indicateurs classiques tels que les assemblages de plantes n’est pas clairement établie. En d’autres termes, répondent-elles plus finement que les plantes à différentes conditions de milieu et dans ce cas doit-on s’attendre à trouver au sein de formations végétales comparables plusieurs types d’assemblages de foumis? Si tel est le cas, la méthode utilisant les assemblages de végétaux pour sélectionner les sites à protéger peut ne pas permettre une conservation efficace de la diversité des fourmis. Ce type de problématique s’aborde bien le long de gradients environnementaux. Pour faciliter l’interprétation des résultats en terme de réponse aux facteurs abiotiques il est préférable de limiter le nombre de facteurs qui varient en même temps. Dans ce sens, le Chaco sec paraguayen représente un système très favorable: faible déclivité, faibles variations de températures moyennes mais gamme très étendue de conditions de pluviométrie (350mm à 1000mm de précipitations moyennes annuelles) et des sols variables (texture limoneuse à sableuse). L’aridité est l’un des principaux facteurs pouvant limiter la diversité des fourmis soit directement en exerçant un stress physiologique sur les espèces, soit indirectement en limitant la productivité primaire de l’habitat. Les conditions édaphiques peuvent également avoir une influence en affectant par exemple la survie des colonies qui nidifient dans le sol.
Objectifs: Les principaux buts de la thèse sont (1) de déterminer l’influence de l’aridité et des conditions édaphiques sur la distribution et la structure des assemblages de fourmis terricoles du sol en forêts tropicales sèches, (2) mettre en évidence les mécanismes qui facilitent la coexistence des espèces de fourmis à l’échelle locale, (3) déterminer si à l’échelle régionale les fourmis et les plantes répondent de façon similaire aux conditions du milieu.
Méthode: Onze localités ont été échantillonnées le long d’un transect régional long de 400km. Au niveau de chaque localité, trois transects élémentaires longs de 200m et séparés les uns des autres par 200m ont été effectués. La myrmécofaune a été échantillonnée à l’aide de 20 pièges à fosse et de 20 Winkler par transect élémentaire. La végétation de chaque site a été caractérisée sur base de l’abondance de 45 espèces d’arbres ou d’arbustes caractéristiques de la flore chaquéenne. Les propriétés physico-chimiques du sol ont également été mesurées. A fine échelle, l’organisation spatio-temporelle d’un assemblage a été étudié dans une localité de référence.
Résultats: Au total, plus de 50.000 spécimens correspondant à 206 espèces de fourmis ont été collectés avec en moyenne (± SD) 62 ± 10 espèces par localité. Pour un même effort d’échantillonnage, le nombre d’espèces de fourmis récoltées à l’aide des pièges à fosse augmente avec l’aridité et une tendance inverse est observée pour les Winkler. Puisque les Winkler peuvent entraîner une sévère sous-estimation de la diversité des fourmis d’un habitat, seules les données des pièges à fosse sont utilisées pour la suite des analyses. La diversité locale des assemblages de fourmis n’apparaît corrélée ni à l’aridité, ni aux conditions édaphiques. En revanche, ces facteurs, et spécialement la texture du sol, influencent la composition des assemblages. Trois complexes myrmécofauniques sont mis en évidence: le premier dans la localité la plus sèche (350mm) et la plus sableuse (>90% de sable dans la fraction minérale du sol), le second dans la localité la plus humide (1000mm, sol argilo-limoneux) et le dernier dans des localités présentant de larges conditions de pluviométrie (350-850mm) et de sol (limoneux à sablo-limoneux). Les plantes répondent encore plus finement à ces facteurs abiotiques. A l’échelle locale, l’établissement d’une ségrégation spatio-temporelle fine des espèces de fourmis lors de l’exploitation des ressources alimentaires facilite la coexistence interspécifique. Cette ségrégation est engendrée par l’existence de deux compromis: l’un entre les capacités des espèces à dominer et à découvrir les ressources et l’autre entre la capacité de dominance et la tolérance aux températures élevées.
Conclusions: Nos résultats contredisent l’hypothèse selon laquelle les fourmis répondent plus finement que les plantes aux conditions du milieu. A l’échelle du gradient étudié, une augmentation de l’aridité n’affecte pas la diversité des fourmis. La productivité de l’habitat ne semble pas déterminer la richesse des assemblages et la tolérance à l’aridité semble répandue au sein des Formicidae. La texture du sol apparaît être le facteur le plus déterminant des distributions spatiales observées. Dans le Chaco sec paraguayen, une sélection des sites à protéger sur base des assemblages végétaux est susceptible de maximiser la conservation de la diversité biologique des fourmis. Notre étude de la distribution de la myrmécofaune, basée sur la plus large gamme de pluviométrie envisagée à ce jour, pourra constituer le point de départ d'un suivi des assemblages de fourmis dominantes du Chaco sec paraguayen dans le but d'investiguer l'impact des changements climatiques globaux sur ces organismes.
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