A new evolutionary clustering search for a no-wait flow shop problem with set-up times

This paper addresses the m-machine no-wait flow shop problem where the set-up time of a job is separated from its processing time. The performance measure considered is the total flowtime. A new hybrid metaheuristic Genetic Algorithm-Cluster Search is proposed to solve the scheduling problem. The performance of the proposed method is evaluated and the results are compared with the best method reported in the literature. Experimental tests show superiority of the new method for the test problems set, regarding the solution quality. (c) 2012 Elsevier Ltd. All rights reserved.

Synthesis, biological evaluation and molecular docking studies of 3-(triazolyl)coumarin derivatives: Effect on inducible nitric oxide synthase

A series of 3-(triazolyl)-coumarins were synthesized and tested as anti-inflammatory agents. It was possible to infer that these compounds do not alter the interaction of LPS with TLR-4 or TLR-2, as the intracellular pathways involved in the TNF-alpha secretion and COX-2 activity were not affected. Nevertheless, the compounds inhibited iNOS-derived NO production, without affecting the eNOS activity. The outcome of the docking studies showed that it pi center dot center dot center dot pi interactions with the heme group are important for the iNOS inhibition, thus making compound 3c a promising lead. Moreover, the efficacy of this compound was visualized by the reduced number of neutrophils in the LPS-inflamed subcutaneous tissue. Together, biological and docking data show that triazolyl-substituted coumarins, that can act on iNOS, are a good scaffold to be explored. (C) 2012 Elsevier Masson SAS. All rights reserved.

A tellurium-based cathepsin B inhibitor: Molecular structure, modelling, molecular docking and biological evaluation

The crystallographically determined structure of biologically active 4,4-dichloro-1,3-diphenyl-4-telluraoct-2-en-1-one, 3, shows the coordination geometry for Te to be distorted psi-pentagonal bipyramidal based on a C2OCl3(lone pair) donor set. Notable is the presence of an intramolecular axial Te center dot center dot center dot O (carbonyl) interaction, a design element included to reduce hydrolysis. Raman and molecular modelling studies indicate the persistence of the Te center dot center dot center dot O(carbonyl) interaction in the solution (CHCl3) and gasphases, respectively. Docking studies of 3' (i.e. original 3 less one chloride) with Cathepsin B reveals a change in the configuration about the vinyl C = C bond. i.e. to E from Z (crystal structure). This isomerism allows the optimisation of interactions in the complex which features a covalent Te-SGCys29 bond. Crucially, the E configuration observed for 3' allows for the formation of a hypervalent Te center dot center dot center dot O interaction as well as an O center dot center dot center dot H-O hydrogen bond with the Gly27 and Glu122 residues, respectively. Additional stabilisation is afforded by a combination of interactions spanning the S1, S2, S1' and S2' sub-sites of Cathepsin B. The greater experimental inhibitory activity of 3 compared with analogues is rationalised by the additional interactions formed between 3' and the His110 and His111 residues in the occluding loop, which serve to hinder the entrance to the active site. (C) 2012 Elsevier B.V. All rights reserved.

THE ROLE OF DARK MATTER INTERACTION IN GALAXY CLUSTERS

We consider a toy del to analyze the consequences of dark matter interaction with a dark energy background on the overall rotation of galaxy clusters and the misalignment between their dark matter and baryon distributions when compared to ACDM predictions. The interaction parameters are found via a genetic algorithm search. The results obtained suggest that interaction is a basic phenomenon whose effects are detectable even in simple models of galactic dynamics.

Alocação eficiente de indicadores de faltas em um sistema de distribuição real usando computação evolutiva

Este trabalho propõe uma abordagem computacional evolutiva para a resolução do problema de alocação de dispositivos indicadores de faltas (IFs) em alimentadores primários de distribuição de energia elétrica. De forma mais específica, o problema de se obter o melhor local de instalação é solucionado por meio da técnica de Algoritmos Genéticos (AGs) que busca obter uma configuração eficiente de instalação de IFs no tronco principal de um alimentador de distribuição. Assim, faz-se a modelagem do mesmo na forma de um problema de otimização orientado à melhoria dos indicadores de qualidade do serviço e ao encontro de uma solução economicamente atraente. Os resultados com dados reais comprovam a eficiência da metodologia proposta.

Evolving decision trees with beam search-based initialization and lexicographic multi-objective evaluation

Decision tree induction algorithms represent one of the most popular techniques for dealing with classification problems. However, traditional decision-tree induction algorithms implement a greedy approach for node splitting that is inherently susceptible to local optima convergence. Evolutionary algorithms can avoid the problems associated with a greedy search and have been successfully employed to the induction of decision trees. Previously, we proposed a lexicographic multi-objective genetic algorithm for decision-tree induction, named LEGAL-Tree. In this work, we propose extending this approach substantially, particularly w.r.t. two important evolutionary aspects: the initialization of the population and the fitness function. We carry out a comprehensive set of experiments to validate our extended algorithm. The experimental results suggest that it is able to outperform both traditional algorithms for decision-tree induction and another evolutionary algorithm in a variety of application domains.