Navegando por Data de Publicação, começando com "2011-03-24"

Filtrar resultados por ano ou mês

Agora exibindo 1 - 3 de 3

Formação de complexos entre compostos híbridos pirrolbenzodiazepinas-cumarinas com DNA por estudos de docking molecular
(Universidade Federal de São Carlos, 2011-03-24) Rodrigues, Sergio Ricardo Pizano; Caracelli, Ignez; https://lattes.cnpq.br/8956527354576143; https://lattes.cnpq.br/1426286258268503
Compounds of the pirrolbenzodiazepine (PBD) family are known for their promising antitumor activity. Among these, the hybrids, those that have a portion PDB a chain spacer and another functional group, such as the coumarins of this work, have been extensively explored. It is also known that these compounds bind to DNA, but there is no structural data showing how it occurs. To overcome this lack of information molecular docking calculations were performed to study the formation of complexes between these PBD-hybrids and DNA. The compounds were modeled and the coordinates of complexes DNA-receptors with different ligands were obtained from the Protein Data Bank. The redocking served to validate the conditions of the experiments and the scores were used as the parameter to evaluate the complexes formed. The analysis of the intermolecular interactions, an essential knowledge for understanding the obtained structures were analyzed using high-resolution molecular imaging. The results of the in silico experiments showed the formation of complexes in the mixed-mode with the PBD ligand moiety intercalating between the DNA bases and the coumarin portion occupying the minor groove, and a preference for intercalation between GG bases. Moreover, it is possible to postulate that the complex becomes an adduct with the formation of a covalent bond between the intercalated portion PBD and a nucleotide base G. Finally, a correlation between the docking results and the biological activities of the studied compounds was established.
Padrões espacial e temporal do atropelamento de mamíferos em uma rodovia no cerrado brasileiro
(Universidade Federal de São Carlos, 2011-03-24) Oliveira, Adriana Nepomuceno de; Freitas, Simone Rodrigues de; https://lattes.cnpq.br/4161677878228867; https://lattes.cnpq.br/8416900673023142
This thesis is divided into a general introduction on the issue of roads ecology and the main factors that lead to the general public and the animals roadkills, followed by a chapter that investigates if there is spatial and seasonal patterns of medium and big mammals roadkills in a road (SP-225) in northeast of São Paulo State, Brazil. The road is located in a region of Cerrado, semideciduous forest and riparian vegetation. Data were collected during the years 2006, 2007 until February 2008. 114 roadkills were recorded for medium and large mammals.-vehicle collision were recorded,. The two species most hit were Cerdocyon thous and Lepus europaeus, with 32 and 22 records respectively .It was analyzed if there was spatial clustering of roadkills per kilometer between Km 75-235 and noticed the Km 146- is the one that has the highest number of roadkills, with 7 records, followed by Km 115 and Km 125, with 5 and 4 records respectively. When road is divided into sections of 5 km each, the passages that had higher indices of collision were Km 145-150, followed by passage of Km 125-130, with 15 and 10 roadkills respectively. This analysis showed that the most impacted areas have been the most probable for roadkills. In these sections, it is indicate the application of mitigation measures. The temporal patterns of roadkills distribution were not clear, except in 2006, when the rainy season showed a higher rate of roadkills than dry season. Using three species as a model, it was analyzed the relationship between the landscape around the Road and roadkills frequency. Three species were chosen, the two most frequently hit (Cerdocyon thous and Lepus europaeus) and one threatened (Chrysocyon brachyurus). The roadkills of C. thous were associated to areas of reforestation and less urban, while the roadkills of L. europaeus were in areas of planting (reforestation and orange s crop). The urban areas and with less pasture were associated to the C. brachyurus roadkills.
Abordagem clássica e bayesiana para os modelos de séries temporais da família GARMA com aplicações para dados contínuos
(Universidade Federal de São Carlos, 2011-03-24) Cascone, Marcos Henrique; Andrade Filho, Marinho Gomes de; https://lattes.cnpq.br/4126245980112687; https://lattes.cnpq.br/2413229482195408
In this work, the aim was to analyze in the classic and bayesian context, the GARMA model with three different continuous distributions: Gaussian, Inverse Gaussian and Gamma. We analyzed the performance and the goodness of fit of the three models, as well as the performance of the coverage percentile. In the classic analyze we consider the maximum likelihood estimator and by simulation study, we verified the consistency, the bias and de mean square error of the models. To the bayesian approach we proposed a non-informative prior distribution for the parameters of the model, resulting in a posterior distribution, which we found the bayesian estimatives for the parameters. This study still was not found in the literature. So, we can observe that the bayesian inference showed a good quality in the analysis of the serie, which can be comprove with the last section of this work. This, consist in the analyze of a real data set corresponding in the rate of tuberculosis cases in metropolitan area of Sao Paulo. The results show that, either the classical and bayesian approach, are good alternatives to describe the behavior of the real time serie.