A mathematical analysis of a nonisothermal Allen–Cahn type system: error estimates

In this article, under certain conditions, we prove the regularity for the solutions of an Allen–Cahn phase‐field type system obtained as limits of approximate solutions constructed by using a semidiscrete spectral Galerkin method. With the help of this improved regularity, as one compares to previous results, we then derive error estimates for the approximate solutions in terms of the inverse of the eigenvalues of the Laplacian operator. The system under investigation may model the evolution of solidification or melting of certain binary alloys. Copyright © 2012 John Wiley & Sons, Ltd.     

A rapid and specific derivatization procedure to identify acyl‐glucuronides by mass spectrometry

A simple procedure is described to identify acyl‐glucuronides by coupled liquid chromatography/mass spectrometry after derivatization to a hydroxamic acid with hydroxylamine. The reaction specificity obviates the need for isolation of the acyl‐glucuronide from an extract. Glucuronides derived from carbamic acids, and alkyl‐ and aromatic amines, are inert to the derivatization reaction conditions, making the hydroxamic acid derivative a fingerprint for acyl‐glucuronides. Copyright © 2010 John Wiley & Sons, Ltd.     

Synthesis and Properties of New 2-[2-(N-alkyl)-pyridinium]-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide Iodide Radicals

2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide radical 2 and the 2-[2-(N-alkyl)-pyrid-inium] derivatives (3a and 3b) were synthesized and characterized by elemental analysis, melting points, and spectroscopy. The density functional theory (DFT) was used in order to obtain the structures and electronic properties of the new nitronyl nitroxide radicals. Modified reaction procedures of the intermediates are described with better yield and purity of the final products. The magnetic properties of the compounds 2, 3a, and 3b are predicted for the first time using a simple model of charge transference, in the framework of the molecular orbital calculations. The obtained results show that the substituent at the central carbon atom of the imidazoline is important to determine the spin distribution and consequently the nature of the magnetic interaction.     

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.