Resonance expansions in quantum mechanics

The goal of this contribution is to discuss various resonance expansions that have been proposed in the literature. Presented at the 3rd International Workshop “Pseudo-Hermitian Hamiltonians in Quantum Physics”, Istanbul, Turkey, June 20–22, 2005.     

Knowledge‐based choice of the initiator type for monomer removal by postpolymerization

The mechanisms involved in monomer removal by postpolymerization were investigated to establish a criterion to select the most effective initiator systems. Three redox systems yielding radicals of different hydrophobicities were studied. Efficiency in monomer removal by postpolymerization increased with the hydrophobicity of the radical formed from the initiator system. This result was independent of the water solubility of the residual monomer. The mechanistic reasons for this finding are discussed. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 4245–4249, 2002     

Silver sulfonates. A novel calibration material for field desorption mass spectrometry

An equimolar mixture of silver methanesulfonate and silver trifluoromethanesulfonate has been investigated as a calibration material for exact mass determination in field desorption mass spectrometry. The mass scale was established using only field desorption by double exposure of the calibration material and the sample on a photographic plate. The precision and the accuracy of the method were tested by recording the mass spectra of a variety of peptides of known composition at a resolution of about 4000. The results indicate that the mass scale established is useful for the determination of the exact masses of field desorbed ions over the mass range examined: m/z 294–1147.     

An exterior boundary value problem in Minkowski space

In three‐dimensional Lorentz–Minkowski space ??³, we consider a spacelike plane Π and a round disc Ω over Π. In this article we seek the shapes of unbounded surfaces whose boundary is ? Ω and its mean curvature is a linear function of the distance to Π. These surfaces, called stationary surfaces, are solutions of a variational problem and governed by the Young–Laplace equation. In this sense, they generalize the surfaces with constant mean curvature in ??³. We shall describe all axially symmetric unbounded stationary surfaces with special attention in the case that the surface is asymptotic to Π at the infinity. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Crystal structure and theoretical calculations of Julocrotine,a natural product with antileishmanial activity

Julocrotine, N‐(2,6‐dioxo‐1‐phenethyl‐piperidin‐3‐yl)‐2‐methyl‐butyramide, is a potent antiproliferative agent against the promastigote and amastigote forms of Leishmania amazonensis (L.). In this work, the crystal structure of Julocrotine was solved by X‐ray diffraction, and its geometrical parameters were compared with theoretical calculations at the B3LYP and HF level of theory. IR and NMR spectra also have been obtained and compared with theoretical calculations. IR absorptions calculated with the B3LYP level of theory employed together with the 6‐311G+(d,p) basis set, are close to those observed experimentally. Theoretical NMR calculations show little deviation from experimental results. The results show that the theory is in accordance with the experimental data. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008     

A proposal for a hybrid meta-strategy for combinatorial optimization problems

In this paper, we propose an algorithm named BDS (Bound-Driven Search) that combines features of exact and approximate methods. The proposed procedure may be seen as a local search algorithm that systematically explores (in a branch-and bound sense) the most promising nodes, thus preventing solutions from being reevaluated. Additionally, it can be regarded as an exact method as it may be able to guarantee that the solution found is optimal. We present the application of this new algorithm to a specific problem domain: the permutation flow shop scheduling problem with makespan objective. The subsequent computational experiments are encouraging, as the algorithm is able to yield exact or near exact solutions to most instances of the problem. Furthermore, the algorithm outperforms one of the best state-of-the-art algorithms for the problem.     

Efficient palladium catalyzed synthesis of heteroaromatic sulfoxides

The present Letter describes the efficient synthesis of novel heteroaromatic sulfoxides by means of a palladium catalyzed heteroarylation of sulfenate anions. Triazolopyridine, pyridine and thiophene sulfoxides can be obtained under mild conditions and in high yield from the corresponding heteroaryl bromides.     

Deep Learning for Walking Behaviour Detection in Elderly People Using Smart Footwear

The increase in the proportion of elderly in Europe brings with it certain challenges that society needs to address, such as custodial care. We propose a scalable, easily modulated and live assistive technology system, based on a comfortable smart footwear capable of detecting walking behaviour, in order to prevent possible health problems in the elderly, facilitating their urban life as independently and safety as possible. This brings with it the challenge of handling the large amounts of data generated, transmitting and pre-processing that information and analysing it with the aim of obtaining useful information in real/near-real time. This is the basis of information theory. This work presents a complete system aiming at elderly people that can detect different user behaviours/events (sitting, standing without imbalance, standing with imbalance, walking, running, tripping) through information acquired from 20 types of sensor measurements (16 piezoelectric pressure sensors, one accelerometer returning reading for the 3 axis and one temperature sensor) and warn the relatives about possible risks in near-real time. For the detection of these events, a hierarchical structure of cascading binary models is designed and applied using artificial neural network (ANN) algorithms and deep learning techniques. The best models are achieved with convolutional layered ANN and multilayer perceptrons. The overall event detection performance achieves an average accuracy and area under the ROC curve of 0.84 and 0.96, respectively.