Pathwidth of outerplanar graphs

We are interested in the relation between the pathwidth of a biconnected outerplanar graph and the pathwidth of its (geometric) dual. Bodlaender and Fomin [3], after having proved that the pathwidth of every biconnected outerplanar graph is always at most twice the pathwidth of its (geometric) dual plus two, conjectured that there exists a constant c such that the pathwidth of every biconnected outerplanar graph is at most c plus the pathwidth of its dual. They also conjectured that this was actually true with c being one for every biconnected planar graph. Fomin [10] proved that the second conjecture is true for all planar triangulations. First, we construct for each p ≥ 1, a biconnected outerplanar graph of pathwidth 2p + 1 whose (geometric) dual has pathwidth p + 1, thereby disproving both conjectures. Next, we also disprove two other conjectures (one of Bodlaender and Fomin [3], implied by one of Fomin [10]. Finally we prove, in an algorithmic way, that the pathwidth of every biconnected outerplanar graph is at most twice the pathwidth of its (geometric) dual minus one. A tight interval for the studied relation is therefore obtained, and we show that all cases in the interval happen. © 2006 Wiley Periodicals, Inc. J Graph Theory 55: 27–41, 2007     

Synthese de benzodioxines-1,4 disubstitutes sur l'heterocycle

The dianion of benzodioxin 2- carboxylic acid can be prepared and reacts with carbonyl compounds to give 2,3- disubstituted 1,4- benzodioxines.     

Hydrogenolysis of lignins : nickel boride catalyst

Nickel boride generated within the wood structure allows the selective hydrogenolysis of wood meals. 4-n-Ethylguaiacol and 4-n-Ethylsyringol are prepared with interesting yields.     

Molecular dynamics simulations of electron-alkali cation pairs in bulk water

The structural, dynamic, and thermodynamic properties of an excess electron interacting with an alkali cation (Na+, K+, Li+) in bulk water were investigated by means of a mixed quantum-classical molecular dynamics simulation technique. This study includes a reparametrization of the electron-cation pseudopotentials. The free energy calculations for all three systems show that a contact electron-cation pair can be observed, which is either as stable as the dissociated pair (Li+) or more stable by only a few kT (Na+, K+). Given that the dissociation barrier is also quite small, we suggest that the average cation-electron distance in the experiments at room temperature will not depend on this free energy profile but rather on the minimization of the Coulombic repulsive interaction between like charges in the solvent medium. This enables us to compare the present molecular dynamics simulations with the spectroscopic data obtained for different ionic strengths. The overall trend of the UV-vis hydrated absorption spectra, namely, the shift toward shorter wavelengths at high ionic strengths, is fairly well reproduced. This confirms our hypothesis of statistical distribution of the cations and solvated electrons.     

How Can a Hydrophobic MOF be Water‐Unstable? Insight into the Hydration Mechanism of IRMOFs

We report an ab initio molecular dynamics study of the hydration process in a model IRMOF material. At low water content (one molecule per unit cell), water physisorption is observed on the zinc cation but the free?bound equilibrium strongly favors the free state. This is consistent with the hydrophobic nature of the host matrix and its type‐V isotherm observed in a classical Monte Carlo simulation. At higher loading, a water cluster can be formed at the Zn₄O site and this is shown to stabilize the water‐bound state. This structure rapidly transforms into a linker‐displaced state, where water has fully displaced one arm of a linker and which corresponds to the loss of the material’s fully ordered structure. Thus an overall hydrophobic MOF material can also become water unstable, a feature that has not been fully understood until now.     

Kinematic Fields and Acoustic Emission Observations Associated with the Portevin Le Châtelier Effect on an Al–Mg Alloy

This paper presents experimental tensile test results obtained on flat aluminum magnesium alloy samples on a hard machine. The mechanical response, kinematic fields and acoustic emissions were simultaneously obtained in an experimental setup. Propagation instabilities associated with the Portevin–Le-Chatelier effect were observed as localized intense strain increment bands. Depending on the strain rate, A, B or C types were studied on the basis of stress drops, acoustic emission and strain fields. Then the band characteristics (position, orientation, width, thickness reduction, intensity, acoustic emission, principal strain direction) were presented in various strain rate conditions.