Optimal Runge–Kutta smoothers for the p-multigrid discontinuous Galerkin solution of the 1D Euler equations

This work presents a family of original Runge–Kutta methods specifically designed to be effective relaxation schemes in the numerical solution of the steady state solution of purely advective problems with a high-order accurate discontinuous Galerkin space discretization and a p-multigrid solution algorithm. The design criterion for the construction of the Runge–Kutta methods here developed is different form the one traditionally used to derive optimal Runge–Kutta smoothers for the h-multigrid algorithm, which are designed in order to provide a uniform damping of the error modes in the high-frequency range only. The method here proposed is instead designed in order to provide a variable amount of damping of the error modes over the entire frequency spectrum. The performance of the proposed schemes is assessed in the solution of the steady state quasi one-dimensional Euler equations for two test cases of increasing difficulty. Some preliminary results showing the performance for multidimensional applications are also presented.     

Bounds on an anomalous dijet resonance in W+jets production in pp collisions at √s = 1.96 TeV

We present a study of the dijet invariant mass spectrum in events with two jets produced in association with a W boson in data corresponding to an integrated luminosity of 4.3 fb(-1) collected with the D0 detector at √s = 1.96 TeV. We find no evidence for anomalous resonant dijet production and derive upper limits on the production cross section of an anomalous dijet resonance recently reported by the CDF Collaboration, investigating the range of dijet invariant mass from 110 to 170 GeV/c(2). The probability of the D0 data being consistent with the presence of a dijet resonance with 4 pb production cross section at 145 GeV/c(2) is 8×10(-6).     

Search for Resonant WW and WZ Production in pp collisions at √s=1.96 TeV

We search for resonant WW or WZ production by using up to 5.4 fb(-1) of integrated luminosity collected by the D0 experiment in run II of the Fermilab Tevatron Collider. The data are consistent with the standard model background expectation, and we set limits on a resonance mass by using the sequential standard model W' boson and the Randall-Sundrum model graviton G as benchmarks. We exclude a sequential standard model W' boson in the mass range 180-690 GeV and a Randall-Sundrum graviton in the range 300-754 GeV at 95% C.L.     

Mössbauer effect studies on thermal decomposition of iron(III) hydroxy- and amino-benzoates

The thermal decomposition of iron(III) aminobenzoates (o-, m-, p-) and iron(III) hydroxybenzoates (p-, m-, p-) have been investigated from ambient temperature to 873 K in air using derivatography DTG-DTA-TG, Mössbauer, IR spectroscopy and XRD. The importance of Mössbauer spectra recorded at various stages of heating, without separating the product mixture, in studying the mode of decomposition is highlighted. The intermediates (e.g., Fe(II)-species) were confirmed. The nature of water of hydration and the order of stability (p->m->o-) have been investigated from decomposition temperatures. The kinetic model and parameters have been investigated for dehydration.P.U. and G.K.B. thank to Guru Nanak Dev. University, Amritsar for financial assistance.     

Metabolic Profiling of Murine Macrophages Exposed to Silver Nanoparticles at Dose and Time Dependencies

The macrophage time-dependent metabolic profile changing basal metabolism triggered by nanoparticles can be obtained and used to improve wound healing treatments. Herein this study demonstrates that metabolic status responds systematically to cytotoxicity manipulation, providing an interesting way of cellular control. Nuclear magnetic resonance (NMR) based metabolomics and cytotoxic assays are used to study RAW 264.7 cells exposed to AgNPs at different concentrations and incubation times. Cytotoxicity data show a slight decrease in cellular expansion rates accompanied by morphological changes in cells. Metabolomics show that despite the glycolytic activity of treated and non-treated cells remains unchanged; however, only the treated cells present a rich Citrate environment signaling up-regulation of Tricarboxylic-Acid-Cycle (TCA). Cells choose aerobic routes instead of anaerobic ones to produce energy and self-regulate their amino acid metabolism to balance TCA. Choline metabolism is down-regulated once its sub-products, Betaine and Glycine, are reduced, thus compromising Creatine synthesis. Phospholipid metabolism is down-regulated due to the decreasing of Phosphocholine and Sn-Glycerol-3-PC, in agreement with the cytotoxicity results. Pyroglutamate decreases in treated cells, signaling different levels of oxidative stress. These analytical tools can characterize AgNPs-treatments, even distinguishing dose and time dependencies. Therefore, the fine-tuning of exposition parameters can modulate cellular activity to achieve better wound healing.     

Structural characterization and Curie temperature determination of a sodium strontium niobate ferroelectric nanostructured powder

The Curie temperature and its correlation with the magnitude of the displacement of the niobium atom from the center of [NbO₆] octahedra in NaSr₂Nb₅O₁₅ nanostructured powder were investigated. A single powder was prepared by high-energy ball milling. A powder with an average crystallite size of 37 nm was prepared by calcining the precursor at 1423 K. The refinement of the structural parameters was carried out by the Rietveld method. NaSr₂Nb₅O₁₅ exhibits tetragonal symmetry with the tungsten bronze structure (a=b=12.3495 (6) Å, c=3.8911 (2) Å, V=593.432 (5) Å³, and Z=2). The site occupancy of the Na⁺ and Sr²⁺ cations and the interatomic distances between the niobium and oxygen atoms were derived. The [NbO₆] octahedron undergoes both rotation and tilting depending on the crystallographic site. The Curie temperature of the powder was derived using both the impedance and infrared spectroscopy methods.     

A screening technique useful for testing the effectiveness of novel "self-cleaning" photocatalytic surfaces

We describe a screening methodology that can be used to quickly determine the effectiveness of newly synthesized photocatalysts. We were particularly interested in measuring the destruction of organic molecules painted onto a photocatalytic surface by spraying, with destruction proceeding in ambient air (as a model for airborne toxin destruction). Our method can utilize photocatalysts that are synthesized as powders (such as doped and undoped titanium oxide) and which are then calcined onto a glass substrate disk at 600°C. Herein, we used UV illumination of Aeroxide P-25 TiO(2), but the method is general and can accommodate any region of the light spectrum.     

A liquid-liquid extraction procedure followed by a low temperature purification step for the analysis of macrocyclic lactones in milk by liquid chromatography-tandem mass spectrometry and fluorescence detection

In this work a method is proposed and demonstrated for the analysis of the macrocyclic lactones abamectin, doramectin, eprinomectin, ivermectin and moxidectin in bovine milk by liquid chromatography coupled to mass spectrometry (LC-MS/MS) and liquid chromatography with fluorescence detection (LC-FL). The method is based on liquid-liquid extraction followed by a low temperature purification (LLE-LTP) step. Moreover, the proposed method was validated according to the Commission Decision 2002/657/EC, using LC-MS/MS and LC-FL for confirmatory and quantitative analysis, respectively. For LC-MS/MS the recovery rates observed ranged from 101.2 to 141.6% with coefficient of variation from 2.6 to 19.8%. For LC-FL the recovery rates observed ranged from 100.2 to 105% and coefficient of variations from 2.9 to 8.8%. Matrix effects were negligible due to the low temperature purification step. The quantification limits were far below the maximum limits established by regulations of all countries consulted. The proposed method proved to be simple, easy, and adequate for high-throughput analysis of a large number of samples per day at low cost.     

Reactive processes in gas phase Na(+)-iso-C3H7Cl collisions: experimental guided-ion-beam and ab initio studies of the reactions on the ground singlet potential surface of the system up to 12.00 eV

Reactive processes, taking place when sodium ions collide with neutral iso-C(3)H(7)Cl molecules in the 0.02-12.00 eV range of energies in the center of mass frame, have been studied using an octopole radiofrequency guided-ion-beam apparatus developed in our laboratory. A dehydrohalogenation reaction channel leading to Na(C(3)H(6))(+) formation has been observed up to 1.00 eV while another process producing NaHCl(+) continues up to 4.00 eV. Furthermore, C(3)H(7)(+) formation resulting from decomposition of the reactants, ion-molecule adducts, has also been observed as well as its decomposition into C(2)H(3)(+) on increasing collision energy. Cross-section energy dependences for all these reactions have been obtained in absolute units. The ab initio electronic structure calculations have been done at the MP2 level for the colliding system ground singlet potential surface, giving information on the reactive surface main topological features. From the surface reactants side to the products' one, different potential wells and barriers have been characterized and their connectivity along the reaction evolution has been established using the intrinsic-reaction-coordinate method, thus interpreting the dynamical evolution of the reactants' collision complex to products. Experimental results demonstrate that NaHCl(+) can be produced via different channels. Reaction rate constants at 308.2 K for both dehydrohalogenation reactions have been calculated from measured excitation functions. It has been also confirmed that the reactants adduct decomposition giving C(3)H(7)(+) and NaCl takes place on the same potential surface. A qualitative interpretation of the experimental results in terms of ab initio calculations is also given.     

Fatty acids as chemotaxonomic markers of marine macrophytes from Rio de Janeiro state, Brazil

The distribution of fatty acids in 13 species of macroalgae (Chlorophyta, Ochrophyta and Rhodophyta) and 1 seagrass (Spartina sp), collected on the Rio de Janeiro state coast was determined. The results were evaluated in search of correlations between the taxonomic and phylogenetic position of these macrophytes. Statistical analyses showed the effectiveness as taxonomic and phylogenetic markers of the distribution of the methyl fatty acid esters in these macrophytes.