On the structure of 3‐acetylamino‐5‐methyl‐1,2,4‐oxadiazole and on the fully degenerate rearrangements (FDR) of its anion: a stimulating comparison between the results of ‘in‐silicon chemistry’ and ‘laboratory chemistry’

An accurate crystal structure determination has provided evidence for a planar conformation for 3‐acetylamino‐5‐methyl‐1,2,4‐oxadiazole ( 5 ), in agreement with quantum‐mechanical calculations in the gas phase. In the crystal, a series of strong intermolecular N7H7^….O9 hydrogen bonds link the amido groups of different molecules, causing the formation of infinite parallel ordered chains. The effect of the DMSO solvent on the energy and charge distribution of compound 5 and on its relevant 5 ^? anion, involved in a fully degenerate rearrangement (FDR), has been deepened by quantum‐mechanical DFT calculations. The calculated energy barrier for the FDR increases in going from in vacuo to DMSO, in agreement with previsions based on the Hughes and Ingold rules concerning the nucleophilic substitution of an anionic reagent (the deprotonated amido group in the side chain) on a neutral substrate (the 1,2,4‐oxadiazole ring). Copyright © 2009 John Wiley & Sons, Ltd.     

Complete wetting of curved microscopic channels

We have measured the adsorption of argon films on arrays of microscopic nonlinear cusps and of semicircular channels. In the former case, we observe a distinct crossover from a planarlike to a geometry dependent growth behavior near liquid-vapor bulk coexistence, characterized by a growth exponent chi equal to -0.96+/-0.04 in very good agreement with the predictions of a recent scaling theory [C. Rascon and A. O. Parry, J. Chem. Phys. 112, 5175 (2000)]. The crossover location is also consistent with theory. Instead, on the concave channels we find a much steeper growth near saturation that may signal the formation of two menisci at both sides of the channel bottom.     

Wetting behavior of porous silicon surfaces functionalized with a fulleropyrrolidine

We report the immobilization of a fulleropyrrolidine, bearing a dec-9-ynyl functionality, on silicon surfaces through a thermal hydrosilylation protocol. Contact angle measurements on porous silicon (PS) surfaces reveal an unusual dependence of the angle with the PS roughness that apparently contradicts Wenzel's formula. This result has been explained by an extension of Wenzel's model in which the critical angle, which discriminates between the hydrophilic/hydrophobic character of a solid material, is substantially reduced below 90 degrees by surface roughness.     

Addendum to: Symmetry classification of quasi-linear PDE’s. II: an exceptional case

This short note completes the symmetry analysis of a class of quasi-linear partial differential equations considered in the previous paper (Nonlinear Dynamics 51: 309–316, 2008): it deals with an “exceptional” Lie point symmetry which is admitted only if the involved parameters are fixed by precise relationships. The peculiarity of this symmetry is enhanced by the fact that, combined with the presence of a conditional symmetry of “weak” type, it leads to a family of solutions which include, as a particular case, a relevant solution of the Grad–Schlüter–Shafranov equation, well known in plasma physics.     

DNA Binding Studies and Cytotoxicity of a Dinuclear Pt(II) Diazapyrenium-Based Metallo-supramolecular Rectangular Box

The interaction with native DNA of a 2,7-diazapyrenium-based ligand 1 and its Pt(II) rectangular metallacycle 2 is explored through circular and linear dichroism and fluorescence spectroscopies. The metal-free ligand 1 binds through intercalation, with a binding constant of approximately 5×10(5) M(-1) , whereas the metallacycle 2 binds and bends the DNA with a binding constant of 7×10(6) M(-1) . PCR assays show that metallo-supramolecular box 2 interferes with DNA transactions in vitro whereas the intercalator 1 does not. The metallacycle is active against four human cancer cell lines, with IC(50) values ranging between 3.1 and 19.2?μM and shows similar levels of efficacy, but a different spectrum of activity, to cisplatin.     

Engineering massive quantum memories by topologically time-modulated spin rings

We introduce a general scheme to realize perfect storage of quantum information in systems of interacting qubits. This novel approach is based on global external controls of the Hamiltonian that yield time-periodic inversions in the dynamical evolution allowing a perfect periodic quantum state reconstruction. We illustrate the method in the particularly interesting and simple case of spin systems affected by XY residual interactions with or without static imperfections. The global control is achieved by step time inversions of an overall topological phase of the Aharonov-Bohm type. Such a scheme holds both at finite size and in the thermodynamic limit, thus enabling the massive storage of arbitrarily large numbers of local states, and is stable against several realistic sources of noise and imperfections.     

Synthesis of some 2,3-benzo-l-oxaoctems

The synthesis of some 8-hydroxy-2,3-benzo-l-oxaoctems is reported. The imide 7 , a potential β-lactamase inhibitor, was also synthesized.