Association measures for interval variables

Advances in Data Analysis and Classification - Symbolic Data Analysis (SDA) is a relatively new field of statistics that extends conventional data analysis by taking into account intrinsic data...     

Aza‐Diels–Alder reaction between cyclopentadiene and protonated N‐phenylethyliminoacetates of 8‐phenylmenthol and 8‐phenylneomenthol: a density functional theory study

The cycloaddition between glyoxylate imines possessing two chiral auxiliaries, N‐(R)‐ or N‐(S)‐1‐phenylethyl and 8‐phenylmenthyl or 8‐phenylneomenthyl, and cyclopentadiene is described. Computational calculations using density functional theory with the Becke, three‐parameter, Lee–Yang–Parr functional and the 6‐31G(d) basis set were performed to better understand the highly diastereoselective mechanism and the exo‐selectivity observed experimentally for these ionic aza‐Diels–Alder reactions. Copyright © 2011 John Wiley & Sons, Ltd.     

Rheological properties of paraffin suspensions of surface-modified alumina powder for low-pressure injection moulding

Due to the hygroscopic nature of fine alumina powders, the presence of water may have a detrimental effect on the rheological properties of a suspension in melted paraffin for low-pressure injection moulding (LPIM). For this reason, a modification of the powder surface from hydrophilic to hydrophobic is essential for the production of high-quality moulded ceramics. In our paper, the efficiency of the application and the chemisorption of protective monomolecular layers of a long-chain carboxylic acid or its salts will be presented. The effect of the powder treatment on the shear viscosity and the viscoelastic properties of the suspensions for LPIM as well as on their stability in terms of the detrimental effect of water will be discussed.This paper was presented at the first Annual European Rheology Conference (AERC) held in Guimarães, Portugal, September 11-13, 2003.     

Saccharin: a combined experimental and computational thermochemical investigation of a sweetener and sulfonamide

The standard molar enthalpies of combustion, sublimation, and formation in the crystalline and gaseous phase at a temperature of 298.15?K have been experimentally determined for saccharin and for benzenesulfonamide. These compounds were also studied theoretically using density functional theory, the B3LYP functional and extended basis sets.     

An inflationary bianchi V model with shear and rotation

A Bianchi V model, in the presence of a fluid with shear and rotation, is investigated. Asymptotic solutions are worked out, showing that shear and rotation may give rise to a conflict with present day observations, a problem that can be solved with the help of an inflationary solution.     

Solving the Problem of Rerostering Nurse Schedules with Hard Constraints: New Multicommodity Flow Models

The problem of rerostering nurse schedules arises in hospitals when at least one nurse informs that she will be unable to perform the shifts assigned to her on one or more future work days. As a result, the current roster must be rebuilt in accordance with labour contract rules and institutional requirements. All such restraints are regarded as hard constraints. However, major alterations in the previously assigned nurse schedules must be avoided. This paper is based on a case study of a public hospital in Portugal. It presents two new integer multicommodity flow formulations for the rerostering problem, besides a computational experiment performed using real data. The first model is based on a directed multilevel acyclic network. The aggregation of nodes in this network led to the second model. The results obtained show that the second integer multicommodity flow formulation outperforms the first, both in terms of solution quality, as well as in computational time.     

Heuristic analysis of <Emphasis Type="Italic">Eucalyptus globulus</Emphasis> bark depolymerization via acid-liquefaction

A clear, direct and rapid analysis of the preliminary results concerning the acid liquefaction of Eucalyptus globulus’ bark is herein presented. The results led to a methodology for the selective liquefaction of hemicellulose and amorphous cellulose. Liquefaction was conducted at various temperatures, as well as different reaction times. The process results are heuristically explained in view of the experiments of ATR-FTIR, hydroxyl number, and acid value. The procedure method allows reusing the wastes arising from the paper industry. Valuable products and chemical building blocks from lignocellulosic biomass, mostly based on cellulose can be thus accessed.     

Determination of organophosphorous pesticides in the ppq range using a simple solid-phase extraction method combined with dispersive liquid-liquid microextraction

Solid-phase extraction combined with dispersive liquid-liquid microextraction (SPE-DLLME) was applied for the extraction of six organophosphorous pesticides (OPPs) in water samples. The analytes considered in this study were determined by gas chromatography with mass spectrometry and included prophos, diazinon, chlorpyrifos methyl, methyl parathion, fenchlorphos and chlorpyrifos. Several extraction conditions (extraction solvent and elution/dispersion solvents nature, extraction solvent volume, elution solvent volume, water volume and sample volume) were tested for SPE-DLLME with these analytes and the best results were obtained using carbon tetrachloride as the extraction solvent and acetone as the elution/dispersion solvent. Calibration curves for the determination of OPPs in water samples were constructed in the concentration range of 10-100 ng/L. Limits of detection (LODs) ranged from 38 to 230 pg/L values that are below the maximum admissible level for drinking water (100 ng/L). Relative standard deviations (RSD) were between 8.6 and 10.4% for a fortification level of 100 ng/L. At the same fortification level, the relative recoveries (R.R.) of tap, well and irrigation water samples were in the range of 30.2-97.1%.