Quantitative structure-activity relationships (QSAR) of 4-amino-2,6-diarylpyrimidine-5-carbonitriles with anti-inflammatory activity

The experimental anti-inflammatory activities of eight 4-amino-2,6-diarylpyrimidine-5-carbonitriles were subjected to a QSAR analysis based on results from B3LYP/6-31G(d,p) and AM1 electronic structure calculations. Principal component analyses and regressions based on these data indicate that potentially more active compounds should have low dipole moment and partition coefficient values and also be affected by the values of the charges of the carbon atoms through which the two aromatic rings are bonded to the pyrimidinic ring. Two new molecules were predicted to be at least as active as those with the highest activities used in the model building stage. One of them, having a methoxy group attached to one of the aromatic rings, was predicted to have an anti-inflammatory activity value of 52.3%. This molecule was synthesized and its experimental activity was found to be 52.8%, in agreement with the AM1 theoretical prediction. This value is 5% higher than the largest value used for modeling

Plantar povoações no território: (re)construindo a urbanização da capitania do Piauí, 1697-1761

The Piauí province´s urbanization has kept up with since late 17th century a complex process dealt among Portuguese Crown, the regal representatives, the network woven by the Casa da Torre and by the resident population in its countryside. What it was content of Rodelas countryside has begun to build with territorial identity since the foundation of first parish in 1697. Structuring itself discontinuously in time and space, the Piauí had reformed in 1758, year of creation of its autonomous government. And had became urban in 1761 when the king D. José I and marquis of Pombal had framed by the royal letter written in June 19 a territory formed by six towns and one city. Thus, this paper purposes to reconstructing the Piauí province according to agents involved in the urbanization processes. It proposes to deconstructing Crown´s polices by means towns strategically placed in territory aiming at control and "remedy" of routine injustices practiced in Piauí´s hinterlands. The method of presenting this reconstruction draws on interconnection between text (manuscript documents) and image (maps and photography) which in their discourses have represented a Piauí as space of experiences apprehended as much in official dimension as inhabitant´s everyday life.A urbanização da capitania do Piauí acompanhou, desde finais do século XVII, um complexo processo negociado entre a Coroa portuguesa, os representantes régios, a rede clientelar urdida pela Casa da Torre e a população residente em seus sertões. O que antes era conteúdo dos sertões de Rodelas passou a construir-se como identidade territorial a partir da fundação da primeira freguesia, em 1697, dedicada a Nossa Senhora da Vitória. Estruturando-se descontinuamente no tempo e no espaço, o Piauí reforma-se em 1758, ano da autonomização do seu governo. E fez-se urbano em 1761, quando D. José I e o marquês de Pombal equacionaram, por meio da carta régia de 19 de junho, um território formado por seis vilas e uma cidade. Nessa direção, o objetivo deste artigo consiste em reconstruir o processo de formação da capitania do Piauí segundo os agentes envolvidos na urbanização do território. Propõe-se descortinar as políticas da Coroa por meio da oficialização de povoações estrategicamente locadas no território visando o controle e o "remédio" das injustiças rotineiras do Piauí. O método de apresentar essa reconstrução vale-se da interconexão entre texto (documentação manuscrita) e imagem (mapas e fotografias), que em suas entrelinhas representam um Piauí como espaço de experiências sentidas tanto na dimensão oficial quanto no cotidiano dos seus moradores