A novel optimization technique for explicit finite‐difference schemes with application to AeroAcoustics

The present paper addresses the optimization of finite‐difference schemes when these are to be used for numerically approximating spatial derivatives in aeroacoustics evolution problems. With that view in mind, finite‐difference operators are firstly detailed from a theoretical point of view. Secondly, time, the way such operators can be optimized in a spectral‐like sense is recalled, before the main limitations of such an optimization are highlighted. This leads us to propose an alternative optimization approach of innovative character. Such a novel optimization technique consists of enhancing the scheme's formal accuracy through a minimization of its leading‐order truncation error. This so‐called intrinsic optimization procedure is first detailed, before it is thoroughly analyzed, from both a theoretical and a practical point of view. The second part of the paper focuses on two particular intrinsically optimized schemes, which are carefully assessed via a direct comparison against their standard and/or spectral‐like optimized counterparts, such a comparative exercise being conducted utilizing several academic test cases of increasing complexity. There, it is shown how intrinsically optimized schemes indeed constitute an advantageous alternative to either the standard or the spectral‐like optimized ones, being allotted with both (i) the better scalability of the former scheme with respect to grid convergence effects when the grid density increases and (ii) the higher accuracy of the latter scheme when the discretization level becomes marginal. Thanks to that, such intrinsically optimized schemes offer very good trade‐offs in terms of (i) accuracy; (ii) robustness; and (iii) numerical efficiency (CPU cost). Copyright © 2015 John Wiley & Sons, Ltd.     

Neutron activation analysis applied in sediment samples from the Guarapiranga Reservoir for metals and trace elements assessment

The Guarapiranga Reservoir is a very important aquatic system due to the fact that it is one of the main water reservoirs for South America’s largest city, São Paulo, Brazil. Guarapiranga basin is located within the Metropolitan Region of São Paulo and the reservoir itself is located in the Northern part of the basin occupying approximately 26 km². This reservoir is characterized by environmental impacts from urban invasion, industrial and sewage wastes, all of which seriously affect its water quality and, consequently, the sediment quality. Two collection campaigns were undertaken: April 2009 and June 2010. The samples were analyzed by instrumental neutron activation analysis (INAA) in order to determine the following elements: major (Fe, K and Na), trace (As, Ba, Br, Co, Cr, Cs, Hf, Rb, Sb, Sc, Ta, Tb, Th, U and Zn) and rare earths (Ce, Eu, La, Lu, Nd, Sm, Tb and Yb). The organic matter and granulometric distribution were also evaluated and multivariate analysis was applied to the results. The study of elemental ratios indicated that the amount of elements present in the Guarapiranga Reservoir is mainly of detrital origin.     

Evidence for the production of thermal muon pairs with masses above 1 GeV/c 2 in 158 A GeV indium-indium collisions

The yield of muon pairs in the invariant mass region 1<M<2.5 GeV/c ² produced in heavy-ion collisions significantly exceeds the sum of the two expected contributions, Drell-Yan dimuons and muon pairs from the decays of D meson pairs. These sources properly account for the dimuons produced in proton-nucleus collisions. In this paper, we show that dimuons are also produced in excess in 158 A GeV In-In collisions. We furthermore observe, by tagging the dimuon vertices, that this excess is not due to enhanced D meson production, but made of prompt muon pairs, as expected from a source of thermal dimuons specific to high-energy nucleus-nucleus collisions. The yield of this excess increases significantly from peripheral to central collisions, both with respect to the Drell-Yan yield and to the number of nucleons participating in the collisions. Furthermore, the transverse mass distributions of the excess dimuons are well described by an exponential function, with inverse slope values around 190 MeV. The values are independent of mass and significantly lower than those found at masses below 1 GeV/c ², rising there up to 250 MeV due to radial flow. This suggests the emission source of thermal dimuons above 1 GeV/c ² to be of largely partonic origin, when radial flow has not yet built up.     

A Schwarz-based domain decomposition method for the dispersion equation

We propose a Schwarz-based domain decomposition method for solving a dispersion equation consisting on the linearized KdV equation without the advective term, using simple interface operators based on the exact transparent boundary conditions for this equation. An optimization process is performed for obtaining the approximation that provides the method with the fastest convergence to the solution of the monodomain problem.     

An outlier-robust kernel RLS algorithm for nonlinear system identification

In this paper, we propose multivariate multiscale permutation entropy (MMPE) and multivariate weighted multiscale permutation entropy (MWMPE) to explore the complexity of the multivariate time series over multiple different time scales. First, we apply these methods to the simulated trivariate time series which is compose of white noise and 1/f noise to test the validity of multivariate methods. The standard deviations of weighted methods are bigger because of containing more amplitude information, while the standard deviations of multivariate method are smaller than the method for single channel. Hence, it can be found that MWMPE shows a better distinguish capacity, while it is able to measure the complexity of the multichannel data accurately and reflect more information about the multivariate time series as well as holds a better robustness. Then MMPE and MWMPE methods are employed to the financial time series: closing prices and trade volume, from different area. It can be verified that the methods for multichannel data analyze the properties of multivariate time series comprehensively. The entropy values taking the weight into account for both the multichannel and single channel amplify the local fluctuation and reflect more amplitude information. The MWMPE maintain the fluctuation characteristic of SCWMPE of both price and volume. The MWMPE results of these stock markets can be divided into three groups: (1) S&P500, FTSE, and HSI, (2) KOSPI, and (3) ShangZheng. The weighted contingency also shows the difference of inhomogenity of the distributions of ordinal patterns between these groups. Thus, MWMPE method is capable of differentiating these stock markets, detecting their multiscale structure and reflects more information containing in the financial time series.     

Multi-Objective Biclustering: When Non-dominated Solutions are not Enough

The biclustering technique was developed to avoid some of the drawbacks presented by standard clustering techniques, such as their impossibility of finding correlating data under a subset of features, and, consequently, to allow the extraction of more accurate information from datasets. Given that biclustering requires the optimization of at least two conflicting objectives (residue and volume) and that multiple independent solutions are desirable as the outcome, a few multi-objective evolutionary algorithms for biclustering were proposed in the literature. However, these algorithms only focus their search in the generation of a global set of non-dominated biclusters, which may be insufficient for most of the problems as the coverage of the dataset can be compromised. In order to overcome such problem, a multi-objective artificial immune system capable of performing a multipopulation search, named MOM-aiNet, was proposed. In this work, the MOM-aiNet algorithm will be described in detail, and an extensive set of experimental comparisons will be performed, with the obtained results of MOM-aiNet being confronted with those produced by the popular CC algorithm, by another immune-inspired approach for biclustering (BIC-aiNet), and by the multi-objective approach for biclustering proposed by Mitra & Banka.     

‘Click’ chemistry as a tool for the facile synthesis of fullerene glycoconjugate derivatives

A bis-malonate C₆₀ derivative bearing terminal alkyne groups prepared by the Bingel reaction has been used as a building block under copper-catalyzed azide-alkyne cycloaddition conditions to produce a series of new fullerene glycoconjugate derivatives.     

Anhydrous CeCl3 catalyzed C3-selective propargylation of indoles with tertiary alcohols

Anhydrous CeCl₃ was successfully used as catalyst for the synthesis of several 3-propargyl indoles in good yields through the reaction of indole with propargyl alcohols in nitromethane.     

Optimization and validation of HPLC-UV-DAD and HPLC-APCI-MS methodologies for the determination of selected PAHs in water samples

Polycyclic aromatic hydrocarbons (PAHs) are environmental contaminants resulting from emissions of a variety of sources including industrial combustion, discharge of fossil fuels, and residential heating. Because of their mutagenic and carcinogenic properties, the study of PAHs in environmental matrices is of great importance. In this work, the extraction of 9 out of the 16 PAH priority pollutants according to the U.S. Environmental Protection Agency is carried out through liquid-liquid extraction (LLE) and solid-phase extraction (SPE). The determination of PAHs is made by high-performance liquid chromatography with diode-array detection and liquid chromatography-atmospheric pressure chemical ionization mass spectrometry. Between the extraction techniques used, LLE is revealed to be efficient in the extraction of the higher molecular weight PAHs, though SPE is adequate for the extraction of all PAHs. In the real water samples analyzed, no PAH is detected under the analysis conditions used.