Implicit–Explicit Schemes for BGK Kinetic Equations

In this work a new class of numerical methods for the BGK model of kinetic equations is presented. In principle, schemes of any order of accuracy in both space and time can be constructed with this technique. The methods proposed are based on an explicit–implicit time discretization. In particular the convective terms are treated explicitly, while the source terms are implicit. In this fashion even problems with infinite stiffness can be integrated with relatively large time steps. The conservation properties of the schemes are investigated. Numerical results are shown for schemes of order 1, 2 and 5 in space, and up to third-order accurate in time.     

Sol–Gel Processing and Characterization of Pure and Metal-Doped SnO2 Thin Films

A chloride-based inorganic sol–gel route was used for preparing pure and metal (osmium, nickel, palladium, platinum)-doped SnO₂ sol. SnCl₄ was first reacted with propanol, then the resulting compound was hydrolyzed and subsequently mixed with solutions of the metal dopants. The obtained sols were used for depositing thin films by spin coating or for preparing powders by solvent evaporation at 110°C. FTIR spectroscopy and thermal analysis of the powders revealed that chlorine still bound to tin stabilized the sol against gelation by hindering the condensation reactions. Film characterizations showed that platinum and palladium, unlike nickel and osmium, were likely to form nanoparticles in the SnO₂ lattice. This result was discussed with regard to the different ways that platinum and palladium, on one hand, and nickel and osmium, on the other, modified the growth of SnO₂ grains and the film roughness and morphology. Dopants that formed nanoparticles (platinum, palladium) resulted in the roughest film, while dopants that did not form particles (nickel, osmium) resulted in SnO₂ grain size very close to that of pure SnO₂.     

Computer-Aided Search for 5-Arylideneimidazolone Anticancer Agents Able To Overcome ABCB1-Based Multidrug Resistance

ABCB1 modulation is an interesting strategy in the search for new anticancer agents that can overcome multidrug resistance (MDR). Hence, 17 new 5-arylideneimidazolones containing an amine moiety, as potential ABCB1 inhibitors, were designed, synthesized, and investigated. The series was tested in both parental (PAR) and multidrug-resistant (MDR) ABCB1-overexpressing T-lymphoma cancer cells using cytotoxicity assays. The ABCB1-modulating activity was examined in rhodamine 123 accumulation tests, followed by Pgp-Glo™ Assay to determine the influence of the most active compounds on ATPase activity. Lipophilic properties were assessed both, in silico and experimentally (RP-TLC). Pharmacophore-based molecular modelling toward ABCB1 modulation was performed. The studies allowed the identification of anticancer agents (p-fluorobenzylidene derivatives) more potent than doxorubicin, with highly selective action on MDR T-lymphoma cells (selectivity index >40). Most of the investigated compounds showed ABCB1-modulating action; in particular, two 5-benzyloxybenzylidene derivatives displayed activity nearly as strong as that of tariquidar.     

Mechanisms and Kinetics of Liquid Silicon Oxidation During Industrial Refining

During oxidative ladle refining (OLR) of silicon, the metal surface is partly oxidized, resulting in the formation of a condensed silica fume (SiO₂). This fugitive emission of silica represents a potential health hazard to the workers in the silicon and ferrosilicon industry. In the current work, industrial measurement campaigns aimed at recording the fume generation during OLR were performed at the Elkem Salten plant in Norway. The measured amounts of silica produced were 2.5–5.1?kg/h, depending on the gas flow rate in the refining process. The rate of silica production correlates with the total flow rate and amount of air in the purge gas, and increases as the flow rate increases. The results of this work suggest that fume generation during OLR primarily results from oxidation of the exposed metal surface, with oxygen transport from the surrounding atmosphere to the metal surface being the limiting factor. Other identified mechanisms of SiO₂ formation were splashing of the metal and/or oxidation of SiO gas carried with the refining purge gas.     

Dynamic test planning: a study in an industrial context

Testing accounts for a relevant part of the production cost of complex or critical software systems. Nevertheless, time and resources budgeted to testing are often underestimated with respect to the target quality goals. Test managers need engineering methods to perform appropriate choices in spending testing resources, so as to maximize the outcome. We present a method to dynamically allocate testing resources to software components minimizing the estimated number of residual defects and/or the estimated residual defect density. We discuss the application to a real-world critical system in the homeland security domain. We describe a support tool aimed at easing industrial technology transfer by hiding to practitioners the mathematical details of the method application.     

Trace Elements in the Si Furnace-Part II: Analysis of Condensate in Carbothermal Reduction of Quartz

Silicon feedstock for production of solar-grade silicon should be as pure as possible to decrease the cost of manufacturing of solar cells. Impurities in quartz, carbonaceous materials, electrodes, and refractories are mostly present in the form of oxides. These oxides can be reduced to volatile gaseous compounds in presence of SiO(g) and CO(g) atmosphere and potentially leave the furnace or stay in the condensed reaction products, metal, and slag. This work investigates the conditions under which volatile impurities report to the gas phase in laboratory experiments with lumpy and pelletized mixtures of SiO₂, SiC, and Si at 1923 K and 2123 K (1650 °C and 1850 °C), respectively, were carried out. The volatile compounds were generated by the reduction of quartz and collected in the form of condensate. The effects of the reaction temperature, quartz type, charge composition, pellets, and lumps on the composition of the condensate were studied. The trace elements in the charge input, reacting charge, and condensate were analyzed using inductively coupled plasma (ICP)-mass spectroscopy (MS) and X-ray diffraction (XRD). CO(g) and SiO(g), which are the major components in reduction reactions, formed four types of condensate: white, brown, green, and orange. The condensate constituents were amorphous SiO₂, 3C:SiC, Si, and α-quartz. Each impurity present in the quartz charge entered the gas phase during quartz reduction and was detected in the condensate. Al and Fe show limited volatility. The volatility of Mn, P, and B depends on the charge mix: a higher P_CO enhances the concentration of these elements in the gas phase. Fluid inclusions, common in hydrothermal quartz, enhance the distribution of the contaminants to the gas phase. Industrial campaigns on Si and Fe-Si production confirm the experimental results.     

A signature protein-based method to distinguish Mediterranean water buffalo and foreign breed milk

A novel genetic variant at the α_s1-casein locus of water buffalo (WB), 8-residue shorter than its wild-type has been found and sequenced. The internal deletion of the peptide E³⁵KVNELsT⁴² was confirmed by the isolation of the junction peptide. The 8-residue deletion mutant has a molecular weight that is 919 Da less than that of the wild-type. The novel isoform with a unique f35-42 deletion could be the result of the skipping of exon 6, generating an exon 6-deleted variant of α_s1-casein. The wild-type and its shortened α_s1-casein forms were found to co-exist in many individual milk samples. In contrast, the 8-residue, internally deleted α_s1-casein variant did not occur in water buffaloes of the Mediterranean breed reared in Italy. Wild-type α_s1-casein has 6 to 8 phosphate groups (P) while the internally deleted form 6 and 7P per molecule.