The correlation between electronic structure and antimalarial activity of alkoxylated and hydroxylated chalcones

Chalcones have shown potential to several pharmacological applications including antimalarial properties. We employed multivariate data analysis to correlate the antimalarial activity with electronic structure descriptors obtained through quantum mechanical calculations. The results show high statistical significance and bring valuable insights in order to design new compounds. © 2013 Springer Science+Business Media New York.

Quantum mechanical modeling of excited electronic states and their relationship to cathodoluminescence of BaZrO3

First-principles calculations set the comprehension over performance of novel cathodoluminescence (CL) properties of BaZrO3 prepared through microwave-assisted hydrothermal. Ground (singlet, s*) and excited (singlet s** and triplet t**) electronic states were built from zirconium displacement of 0.2 Å in {001} direction. Each ground and excited states were characterized by the correlation of their corresponding geometry with electronic structures and Raman vibrational frequencies which were also identified experimentally. A kind of optical polarization switching was identified by the redistribution of 4dz2 and 4dxz (Zr) orbitals and 2pz O orbital. As a consequence, asymmetric bending and stretching modes theoretically obtained reveal a direct dependence with their polyhedral intracluster and/or extracluster ZrO6 distortions with electronic structure. Then, CL of the as-synthesized BaZrO3 can be interpreted as a result of stable triplet excited states, which are able to trap electrons, delaying the emission process due to spin multiplicity changes. © 2013 AIP Publishing LLC.

Performance of race instrumentation system in curved root canals: a comprehensive analysis by three study methods

In this study, curved maxillary molar root canals were instrumented with RaCe rotary system to evaluate: 1. the occurrence of canal transportation using a radiographic platform; 2. the action of the instruments on the dentin walls, centering ability and canal enlargement by analysis of digital images; and the percentage of regular dentin surfaces and debris within the canal by histological analysis. Ten mesiobuccal roots of extracted human maxillary molars were embedded in acrylic resin and sectioned at the middle and apical thirds. Root canal shaping was performed using the RaCe rotary system at 250 rpm and 1 Ncm torque. Each instrument set was used five times according to a crowndown technique in the following sequence: 40/0.10, 35/0.08, 25/0.06, 25/0.04, 25/0.02 (working length - WL), 30/0.02 (WL) and 35/0.02 (WL). Each instrument was inserted until resistance was felt and then pulled back, followed by brushing movements towards all canal walls. Each specimen was assessed by three study methods: radiographic platform, digitized image assessment and histological analysis. The radiographic platform showed lack of apical transportation. No statistically significant difference (Wilcoxon test, p>0.05) was found between the middle and apical thirds regarding instrument action on dentin walls, centering ability, area of root canal enlargement, percentage of regular dentin surfaces and debris within the root canal. It may be concluded that RaCe system is a suitable method for the preparation of curved root canals, regarding the maintenance of root canal original path, action on dentin walls, canal enlargement and removal of debris from the root canal lumen.

Development and application of an electronic tongue for detection and monitoring of nitrate, nitrite and ammonium levels in waters

This work presents the first study and development of an electronic tongue analysis system for the monitoring of nitrogen stable species: nitrate, nitrite and ammonium in water. The electronic tongue was composed of an array of 15 potentiometric poly(vinyl chloride) membrane sensors sensitive to cations and anions plus an artificial neural network (ANN) response model. The building of the ANN model was performed in a medium containing sodium, potassium, and chloride as interfering ions, thus simulating real environmental samples. The correlation coefficient in the cross-validation of nitrate, nitrite and ammonium was satisfactory in the three cases with values higher than 0.92. Finally, the utility of the proposed system is shown in the monitoring of the photoelectrocatalytic treatment of nitrate. © 2013 Elsevier B.V.

A model for computing vibration induced stresses of electronic components in a general flexible mounting

This paper develops a novel full analytic model for vibration analysis of solid-state electronic components. The model is just as accurate as finite element models and numerically light enough to permit for quick design trade-offs and statistical analysis. The paper shows the development of the model, comparison to finite elements and an application to a common engineering problem. A gull-wing flat pack component was selected as the benchmark test case, although the presented methodology is applicable to a wide range of component packages. Results showed very good agreement between the presented method and finite elements and demonstrated the usefulness of the method in how to use standard test data for a general application. © 2013 Elsevier Ltd.

Inferência espacial de clorofila a por redes neurais artificiais aplicadas a imagens multiespectrais e medidas tomadas in situ

Pós-graduação em Ciências Cartográficas - FCT

Latin America and Caribbean experiences in electronic statistical data processing

Includes bibliography

Associação de enterococcus faecalis, candida albicans e escherichia coli em canais radiculares e avaliação dos efeitos de extratos naturais sobre os microrganismos e endotoxinas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Ação in vitro do extrato glicólico de gengibre e medicamentos sobre Candida albicans, Enterococcus faecalis, Escherichia coli e sua endotoxina em canais radiculares

Pós-graduação em Odontologia Restauradora - ICT

Eficácia do preparo biomecânico utilizando hipoclorito de sódio 1%, clorexidina gel 2% e extrato glicólico de própolis 12%, como substâncias químicas auxiliares sobre o ácido lipoteicóico de Enterococcus faecalis

Pós-graduação em Odontologia Restauradora - ICT

Avaliação das alterações morfológicas de três tipos diferentes de instrumentos endodônticos, após a instrumentação de canais radiculares, com a utilização da microscopia eletrônica de varredura

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Eficácia da irrigação ultrassônica passiva na limpeza e eliminação de Enterococcus faecalis dos canais radiculares

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)