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Saturation Transfer Difference-NMR (STD-NMR) spectroscopy has emerged as a powerful screening tool and a straightforward way to study the binding epitopes of active compounds in early stage lead discovery in pharmaceutical research. Here we report the application of STD NMR to characterize the binding of the anti-inflammatory drugs ibuprofen, diclofenac and ketorolac to COX-1 and COX-2. Using well-studied COX inhibitors and by comparing STD signals with crystallographic structures we show that there is a relation between the orientations of ibuprofen and diclofenac in the COX-2 active site and the relative STD responses detected in the NMR experiments. Based on this analysis we propose that ketorolac should bind to the COX-2 active site in similar orientation as that of diclofenac. We also show that the combination of STD NMR with competition experiments constitutes a valuable tool to address the recently proposed behavior of COX-2 as functional heterodimers and complement enzyme activity studies in the effort to rationalize COX inhibition mechanisms.

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The measurement of deformations, displacements, strain fields and surface defects in many material tests in Civil Engineering is a very important issue. However, these measurements require complex and expensive equipment and the calibration process is difficult and time consuming. Image processing could be a major improvement, because a simple camera makes the data acquisition and the analysis of the entire area of the material under study without requiring any other equipment like in the traditional method. Digital image correlation (DIC) is a method that examines consecutive images, taken during the deformation period, and detects the movements based on a mathematical correlation algorithm. In this paper, block-matching algorithms are used in order to compare the results from image processing and the data obtained with linear voltage displacement transducer (LVDT) sensors during laboratorial load tests of T-beams. © 2011 IFIP International Federation for Information Processing.

This paper describes the embedding of ClassSheet models in spreadsheet systems. ClassSheet models are well-known and describe the business logic of spreadsheet data. We embed this domain specific model representation on the (general purpose) spreadsheet system it models. By defining such an embedding, we provide end users a model-driven engineering spreadsheet developing environment. End users can interact with both the model and the spreadsheet data in the same environment. Moreover, we use advanced techniques to evolve spreadsheets and models and to have them synchronized. In this paper we present our work on extending a widely used spreadsheet system with such a model-driven spreadsheet engineering environment.

Under the framework of the European project named COPOWER, the possibility to partially substitute coal used in a 243 MWth Power Plant by biomass and non-hazardous wastes for the production of electricity and steam was assessed. Three combustion scenarios were studied, based on the combustion tests performed in a Power Plant located in Duisburg (Germany): Scenario 0 (Sc0) – combustion of coal; Scenario 1 (Sc1) – combustion of coal + sewage sludge (SS) + meat and bone meal (MBM); Scenario 2 (Sc2) – coal + SS + wood pellets (WP). An environmental and socio-economic assessment of these three scenarios was performed. In the environmental point of view, Sc0 was the worst scenario, mainly due to the emission of greenhouse gases (GHG). Sc1 was the best scenario, mainly due to the reduction of GHG emission, eutrophication chemical species and ozone depletion gases. In the socio-economic point of view, Sc0 was the worst scenario, mainly due to the absence of GHG abatement, and Sc1 was the best scenario due to the best cost of electricity production and negative cost of avoided emissions.

It is proved that, given a (von Neumann) regular semigroup with finitely many left and right ideals, if every maximal subgroup is presentable by a finite complete rewriting system, then so is the semigroup. To achieve this, the following two results are proved: the property of being defined by a finite complete rewriting system is preserved when taking an ideal extension by a semigroup defined by a finite complete rewriting system; a completely 0-simple semigroup with finitely many left and right ideals admits a presentation by a finite complete rewriting system provided all of its maximal subgroups do.