Absolute versus relative formulations of the moving oscillator problem

In the general framework of the bridge-vehicle dynamic interaction, the so-called “moving oscillator” problem is revisited in order to provide a deeper insight into some analytical and physical aspects not specifically analyzed in previous investigations. Without lack of generality, the case of a stream of moving oscillators crossing a simply supported beam with arbitrary time law is considered. The formulations in terms of both absolute and relative displacements of the moving oscillators are critically reviewed and compared, and alternative sets of differential equations with time-dependent coefficients are derived. The study enlightens, both theoretically and numerically, that impulsive contributions to the dynamic response appear in the relative displacement formulation at the time instants in which each vehicle enters or exits the bridge. It is demonstrated that such contributions, somehow “hidden” in the absolute displacement formulation, may have a significant influence on the vibration of the moving oscillators, and thus cannot be a priori neglected in the analysis. It is also shown that the analytical and computational difficulties associated with these additional impulses make preferable the use of the absolute displacement formulation. Far from being restricted to the case of simply supported beams, these findings are valid for any type of bridge structure which induces a discontinuity in the slope of the road profile experienced by the vehicles.     

A Roman bronze statuette with gilded silver mask from Sardinia: an EDXRF study

A Roman bronze statuette from the 2nd Century BC was recovered from a nuragic sanctuary close to Florinas, in the north of Sardinia. The facial portion of the statuette is covered by a silver mask, partially gilded and attached to the bronze by tin-lead welding. The silver mask was carefully analyzed by portable energy-dispersive X-ray fluorescence (EDXRF), a non-destructive and non-invasive method. The aim of the analysis was to reconstruct the layered structure of the silver gilt mask, and to determine homogeneity and thickness of the gold, silver and lead–tin sheets. This is possible by using the internal ratio of the X-ray lines, i.e. starting from the surface, Au (Lα/Lβ), Ag (Kα/Kβ), Au-Lα/Ag-Kα and Pb (Lα/Lβ).The results were compared with those obtained with simulated X-ray spectra, obtained both experimentally and by using the Monte Carlo simulation technique.     

CH/pi interactions involving aromatic amino acids: refinement of the CHARMM tryptophan force field

High-level ab initio calculations have been carried out to study weak CH/pi interactions and as a check of the CHARMM force field for aromatic amino acids. Comparisons with published data indicate that the MP2/cc-pVTZ level of theory is suitable for calculations of CH/pi interaction, including the T-shape benzene dimer. This level of theory was, therefore, applied to investigate CH/pi interactions between ethene or cis-2-butene and benzene in a variety of orientations. In addition, complexes between ethene and a series of model compounds (toluene, methylindole and p-cresol) representing the aromatic amino acids were studied motivated by the presence of CH/pi interactions in biological systems. Ab initio binding energies were compared to the binding energies obtained with the CHARMM22 force field. In the majority of orientations, CHARMM22 reproduces the preferred binding modes, with excellent agreement for the benzene dimer. Small discrepancies found in the calculations involving methylindole along with a survey of published thermodynamic data for the aromatic amino acids prompted additional optimization of the tryptophan force field. Partial atomic charges, Lennard-Jones parameters, and force constants were improved to obtain better intra- and intermolecular properties, with significant improvements obtained in the reproduction of experimental heats of sublimation for indole and free energies of aqueous solvation for methylindole.     

Sequestration of organometallic compounds by natural organic matter. binding of trimethyltin(IV) by fulvic and alginic acids

The binding capacity of fulvic and alginic acids towards trimethyl tin(IV) cation was quantitatively determined in order to evaluate the sequestering ability of toxic organometallic compounds by natural organic matter. Investigations were performed in the pH range of natural waters (5–8.5) where the carboxylate groups, largely present in both sequestering agents, are the main binding sites. A chemical interaction model, according to which both the protonation of polyelectrolyte ligands and the hydrolysis of the organotin cation in NaCl aqueous solution were considered, was used to define the speciation of the systems under investigation. Measurements performed at different ionic strength values (0.1, 0.25, 0.5 and 0.7 mol L^?1, NaCl) allowed us to consider the dependence of stability constants on the ionic strength, and to calculate the formation constants at infinite dilution. Results obtained show the formation of the complex species TMT(L), TMT(L)₂ and TMT(L)(OH) for L = fulvic acid and TMT(L) for L = alginic acid, respectively. In order to compare the strength of interaction of these natural poly electrolytes with other analogous synthetic polyelectrolytes, measurements were also carried out on the trimethyltin(IV)–polyacrylate (5.1 kDa) system, and in this case the formation of TMT(L), TMT(L)₂ and TMT(L)(OH) species was found. Results show the following trend of stability for the species TMT(L) in the systems investigated: TMT–fulvate ≈ TMT–polyacrylate > TMT–alginate. On the basis of the stability data obtained, the lowest concentration of fulvic and alginic acids, able to act as sequestering agents towards triorganotin(IV) cation in the conditions of natural waters, was also calculated. Copyright © 2006 John Wiley & Sons, Ltd.     

Parallel Metaheuristics for Workforce Planning

Workforce planning is an important activity that enables organizations to determine the workforce needed for continued success. A workforce planning problem is a very complex task requiring modern techniques to be solved adequately. In this work, we describe the development of three parallel metaheuristic methods, a parallel genetic algorithm, a parallel scatter search, and a parallel hybrid genetic algorithm, which can find high-quality solutions to 20 different problem instances. Our experiments show that parallel versions do not only allow to reduce the execution time but they also improve the solution quality.      

Efficient Batch Job Scheduling in Grids Using Cellular Memetic Algorithms

Computational grids are an important emerging paradigm for large-scale distributed computing. As grid systems become more wide-spread, techniques for efficiently exploiting the large amount of grid computing resources become increasingly indispensable. A key aspect in order to benefit from these resources is the scheduling of jobs to grid resources. Due to the complex nature of grid systems, the design of efficient grid schedulers becomes challenging since such schedulers have to be able to optimize many conflicting criteria in very short periods of time. This problem has been tackled in the literature by several different metaheuristics, and our main focus in this work is to develop a new highly competitive technique with respect to the existing ones. For that, we exploit the capabilities of cellular memetic algorithms (cMAs), a kind of memetic algorithm with structured population, for obtaining efficient batch schedulers for grid systems, and the obtained results will be compared versus the state of the art. A careful design of the cMA methods and operators for the problem yielded to an efficient and robust implementation. Our experimental study, based on a known static benchmark for the problem, shows that this heuristic approach is able to deliver very high quality planning of jobs to grid nodes and thus it can be used to design efficient dynamic schedulers for real grid systems. Such dynamic schedulers can be obtained by running the cMA-based scheduler in batch mode for a very short time to schedule jobs arriving in the system since the last activation of the cMA scheduler. This work has been partially funded by the Spanish MEC and FEDER under contract TIN2005-08818-C04-01 (the OPLINK project: ).     

Structural Study and Conformational Behavior of the Two Different Lipopolysaccharide O‐Antigens Produced by the Cystic Fibrosis Pathogen Burkholderia multivorans

Lipopolysaccharides (LPSs) are virulence factors expressed by Gram‐negative bacteria; they are among those mainly responsible for bacterial virulence. In this work we define the primary structure and the conformational features of the O‐chain from the LPS produced by the highly virulent clinical isolate Burkholderia multivorans strain C1576, an opportunistic human pathogen isolated in a cystic fibrosis center and causative of an outbreak with lethal outcome. We demonstrate that the LPS from this clinical isolate consists of two O‐polysaccharide chains present in different amounts and made up of repeating units, both containing deoxy sugar. Additionally, conformational studies have been performed to establish and compare the spatial arrangements of the two polysaccharides and differences in their shape have been highlighted. The comprehension of the structural and conformational features of the two repeating units may help to explain their biological significance, the molecular shape of the bacterial external surface, and the comprehension at the molecular level of the recognition mechanisms of the antibodies.