Numeric simulation of pollutant dispersion by a control‐volume based on finite element method

The dispersion of pollutants in the environment is an issue of great interest as it directly affects air quality, mainly in large cities. Experimental and numerical tools have been used to predict the behavior of pollutant species dispersion in the atmosphere. A software has been developed based on the control‐volume based on the finite element method in order to obtain two‐dimensional simulations of Navier–Stokes equations and heat or mass transportation in regions with obstacles, varying position of the pollutant source. Numeric results of some applications were obtained and, whenever possible, compared with literature results showing satisfactory accordance. Copyright © 2010 John Wiley & Sons, Ltd.     

EFTEM and EELS Analysis of a Pt/NiO Interface

 Energy-filtering transmission electron microscopy (EFTEM) is more and more becoming an important nanoanalytical technique in both materials science and biology. The main advantage of the method lies in the possibility to obtain two-dimensional chemical information from large specimen areas as well as from features on a nanometer scale. Due to its excellent lateral resolution it is perfectly suited for the investigation of nanometer sized features (e.g. interfaces). In this paper we will show how EFTEM can be used to characterize the interface between a Pt layer and a NiO crystal as part of a coulometric titration cell. In addition to elemental distribution maps electron energy-loss spectra (EELS) across the interface (EELS linescans) have been acquired to obtain quantitative compositional profiles. By employing these methods the following interfacial layers could be identified, all of which containing Pt, Ni and O in different proportions: 13 nm Pt-rich, 32 nm Ni-rich and 29 nm Pt-rich. The origin of these is discussed in terms of displacement reactions.     

Vector boson decays of the Higgs boson

We derive the width of the Higgs boson into vector bosons. General formulas are derived both for the on–shell decay as well for the off–shell decays, and , where . For the off-shell decays the width of the decaying vector boson is properly included. The formulas are valid both for the Standard Model as well as for arbitrary extensions. As an example we study in detail the gauge-invariant effective Lagrangian models where we can have sizable enhancements over the Standard Model that could be observed at LEP. Received: 31 July 1998 / Revised version: 23 September 1998 / Published online: 6 November 1998     

Dynamics of constrained systems

The dynamics on the final constraint submanifold of a constrained system is discussed: a system of equations of motion is induced by the initial ones, whose consistency originates this submanifold, and there is also a dynamics which is the geometrically natural one of this (presymplectic) submanifold. Their compatibility and possible equivalence are analyzed. As a consequence, another justification of Dirac's conjecture is obtained.     

Properties of the sequential gradient-restoration algorithm (SGRA), part 1: Introduction and comparison with related methods

The sequential gradient-restoration algorithm (SGRA) was developed in the late 1960s for the solution of equality-constrained nonlinear programs and has been successfully implemented by Miele and coworkers on many large-scale problems. The algorithm consists of two major sequentially applied phases. The first is a gradient-type minimization in a subspace tangent to the constraint surface, and the second is a feasibility restoration procedure. In Part 1, the original SGRA algorithm is described and is compared with two other related methods: the gradient projection and the generalized reduced gradient methods. Next, the special case of linear equalities is analyzed. It is shown that, in this case, only the gradient-type minimization phase is needed, and the SGRA becomes identical to the steepest-descent method. Convergence proofs for the nonlinearly constrained case are given in Part 2.Partial support for this work was provided by the Fund for the Promotion of Research at Technion, Israel Institute of Technology, Haifa, Israel.     

Invariant forms and Hamiltonian systems: A geometrical setting

A geometric proof is given of Lee Hwa Chung's theorem for regular Hamiltonian systems, which identifies all the possible differential forms left invariant by the dynamics. Applications of this theorem in the area of canonical transformations are also remarked in a purely geometrical context.     

Kinetic determination of copper(II) by its catalytic effect on the atmospheric oxidation of 1,3-cyclopentanedione bis(4-methylthiosemicarbazone) monohydrochloride

The kinetic method is based on the catalytic effect of copper(II) on the atmospheric oxidation of 1,3-cyclopentanedione bis(4-methylthiosemicarbazone) monohydrochloride. The reaction is followed spectrophotometrically at 390 nm. The kinetic parameters of the reaction are reported and a rate equation is suggested. The calibration graphs are linear in the range 0.05–0.5 μg Cu ml^?1. Interference by other ions is studied.     

Tangential-flow ultrafiltration: a versatile methodology for determination of complexation parameters in refractory organic matter from Brazilian water and soil samples

In this work the copper(II) complexation parameters of aquatic organic matter, aquatic and soil humic substances from Brazilian were determined using a new versatile approach based on a single-stage tangential-flow ultrafiltration (TF-UF) technique (cut-off 1 kDa) and sensitive atomic spectrometry methods. The results regarding the copper(II) complexation capacity and conditional stability constants obtained for humic materials were compared with those obtained using direct potentiometry with a copper-ion-selective electrode. The analytical procedure based on ultrafiltration is a good alternative to determine the complexation parameters in natural organic material from aquatic and soil systems. This approach presents additional advantages such as better sensibility, applicability for multi-element capability, and its possible to be used under natural conditions when compared with the traditional ion-selective electrode.     

Encapsulation of sodium nimesulide and precursors in beta-cyclodextrin

Crystalline 1:1 inclusion complexes with beta-cyclodextrin (beta-CD) and the sodium salt of nimesulide (4-nitro-2-phenoxymethanesulfonanilide), and the sodium salt of the derivative 2-phenoxymethanesulfonanilide, have been prepared by co-precipitation from aqueous solution. The presence of true inclusion complexes was supported by elemental analysis, thermogravimetry and powder X-ray diffraction. FTIR and 13C CP MAS NMR spectroscopy confirmed that no chemical modification of the guests occurred upon formation of inclusion complexes. The reaction of the precursors 2-phenoxynitrobenzene and 2-phenoxyaniline with beta-CD was also studied and crystalline inclusion complexes with a 2:1 (host-to-guest) stoichiometry were isolated. The interaction of the different guest species with beta-CD host molecules was studied theoretically by carrying out ab initio calculations. Favourable inclusion geometries were obtained for the four guests mentioned above. On the other hand, it was found that the inclusion of the neutral guests nimesulide and 2-phenoxymethanesulfonanilide was considerably less favourable. This is in agreement with the experimentally observed difficulty in isolating true inclusion complexes containing these guests and beta-CD. The calculated lower stability is attributed to the different steric hindrance arising from the different conformational preferences of neutral and anionic forms.     

Capillary electrophoresis-mass spectrometry of basic proteins using a new physically adsorbed polymer coating. Some applications in food analysis

A new physically adsorbed capillary coating for capillary electrophoresis-mass spectrometry (CE-MS) of basic proteins is presented, which is easily obtained by flushing the capillary with a polymer aqueous solution for two min. This coating significantly reduces the electrostatic adsorption of a group of basic proteins (i.e., cytochrome c, lysozyme, and ribonuclease A) onto the capillary wall allowing their analysis by CE-MS. The coating protocol is compatible with electrospray inonization (ESI)-MS via the reproducible separation of the standard basic proteins (%RSD values (n = 5) < 1% for analysis time reproducibility and < 5% for peak heights, measured from the total ion electropherograms (TIEs) within the same day). The LODs determined using cytochrome c with total ion current and extracted ion current defection were 24.5 and 2.9 fmol, respectively. Using this new coating lysozymes from chicken and turkey egg white could be easily distinguished by CE-MS, demonstrating the usefulness of this method to differentiate animal species. Even after sterilization at 120 degrees C for 30 min, lysozyme could be detected, as well as in wines at concentrations much lower than the limit marked by the EC Commission Regulation. Adulteration of minced meat with 5% of egg-white could also be analysed by our CE-MS protocol.