Soft Constraint Logic Programming and Generalized Shortest Path Problems

In this paper we study the relationship between Constraint Programming (CP) and Shortest Path (SP) problems. In particular, we show that classical, multicriteria, partially ordered, and modality-based SP problems can be naturally modeled and solved within the Soft Constraint Logic Programming (SCLP) framework, where logic programming is coupled with soft constraints. In this way we provide this large class of SP problems with a high-level and declarative linguistic support whose semantics takes care of both finding the cost of the shortest path(s) and also of actually finding the path(s). On the other hand, some efficient algorithms for certain classes of SP problems can be exploited to provide some classes of SCLP programs with an efficient way to compute their semantics.     

13C NMR examination of some N-thioaroylmorpholine–bromine adducts

The ¹³C NMR chemical shifts of three N-thioaroylmorpholine–bromine adducts, previously used as synthetic intermediates, are compared and discussed in the light of the corresponding shifts of the parent thioamides and suitable model compounds. Chemical shift changes are interpreted in terms of the electronic perturbation resulting from bromine coordination at sulphur.     

Thermal transformations and stability of organometallic materials with electrical and optical properties: the case of polycrystalline cis-[Ir(CO)2Cl(C5H5N)

In this paper the solid-state transformations under heating of cis-[Ir(CO)2Cl(C5H5N)] are discussed. The complexity of the transformations was revealed by integrating infrared spectroscopy, conventional and bidimensional X-ray diffraction, thermal analysis, and hot stage optical microscopy. During heating anisotropic expansion of the lattice along the Ir-Ir stacking takes place. Then cis-[Ir(CO)2Cl(C5H5N)] undergoes an irreversible solid-solid phase transition to a lattice of higher symmetry followed by a reversible transition into the amorphous phase. Under proper cooling a partial recrystallization takes place. Experiments in the presence of oxygen must be carried out in short time periods to avoid oxidation from Ir(I) to Ir(III).     

On the use of the theory of dynamical systems for transient problems

This paper is a preliminary work to address the problem of dynamical systems with parameters varying in time. An idea to predict their behavior is proposed. These systems are called transient systems, and are distinguished from steady systems in which parameters are constant. In particular, in steady systems the excitation is either constant (e.g., nought) or periodic with amplitude, frequency, and phase angle which do not vary in time. We apply our method to systems, which are subjected to a transient excitation that is neither constant nor periodic. The effect of switching-off and full-transient forces is investigated. The former can be representative of switching-off procedures in machines; the latter can represent earthquake vibrations, wind gusts, etc., acting on a mechanical system. This class of transient systems can be seen as the evolution of an ordinary steady system into another ordinary steady system, for both of which the classical theory of dynamical systems holds. The evolution from a steady system to the other is driven by a transient force, which is regarded as a map between the two steady systems.     

Non-linear dynamics of a mechanical system with a frictional unilateral constraint

We analyze the dynamics of a two-dimensional system constituted by two masses subjected to elastic, gravitational and viscous forces and constrained by a moving frictional mono-lateral surface. The model exhibits a time-varying dynamics capable of reproducing the hopping phenomenon, an unwanted phenomenon observed in many applications such as the motion of a robotic arm on a surface or that of a wiper on a windscreen. The system dynamics, besides being affected by geometrical non-linearities, has a non-smooth nature due to the impact and friction laws involved in the model. The complexity of the resulting equations and of the transition conditions require the problem to be solved numerically. Various periodic motions are found and the effect of varying the system parameters, in particular the friction coefficient, is investigated. Finally, simulations are used to gain some insight the behavior of the windscreen wiper.     

Application of the anionic homologous Fries‐rearrangement to the synthesis of 3‐alkylbenzofuran‐2(3H)‐ones

We have developed an effective organometallic‐based procedure allowing the employment of 2‐methylphenols as easily available starting materials in the synthesis of 3‐alkylbenzofuran‐2(3H)‐ones. The first step of this protocol, an anionic homologous Fries‐rearrangement, afforded 2‐(2‐ tert ‐butyldimethylsilyloxyaryl)acetamides, which were selectively metalated and monoalkylated at the benzylic position. Acidic work‐up of crude products afforded the desired heterocycles in satisfactory overall yields. Copyright © 2008 John Wiley & Sons, Ltd.     

Nematic and smectic mesophases in a new series of Cu(II) organometallic complexes

The synthesis and the phase behaviour of a homologous series of copper, bis[N-[[4-[4-(alkoxy)benzoyloxy],2-hydroxyphenyl]methylene]-methanamino] complexes is reported. They all exhibit thermotropic mesomorphism. The thermal stability range of the mesophase decreases slightly with increasing length of the alkoxy terminals. With the onset of smectic mesomorphism, for alkoxy groups containing ten carbon atoms, the stability interval of the nematic phase decreases progressively so that the compound containing 14 carbon atoms in the alkoxy terminal chains exhibits only smectic mesomorphism. Optical texture analysis suggests the smectic C nature of the phase in all cases. The enthalpies for the liquid crystal-isotropic transition have been measured and they are comparatively low. Remarkably low values have also been measured for the melting enthalpies of the smectogenic members of the series. These are associated with solid phase polymorphism which is discussed briefly.     

Entanglement and Non-Locality in Quantum Protocols with Identical Particles

We study the role of entanglement and non-locality in quantum protocols that make use of systems of identical particles. Unlike in the case of distinguishable particles, the notions of entanglement and non-locality for systems whose constituents cannot be distinguished and singly addressed are still debated. We clarify why the only approach that avoids incongruities and paradoxes is the one based on the second quantization formalism, whereby it is the entanglement of the modes that can be populated by the particles that really matters and not the particles themselves. Indeed, by means of a metrological and of a teleportation protocol, we show that inconsistencies arise in formulations that force entanglement and non-locality to be properties of the identical particles rather than of the modes they can occupy. The reason resides in the fact that orthogonal modes can always be addressed while identical particles cannot.     

The Role of Ion Pairs in the Second‐Order NLO Response of 4‐X‐1‐Methylpiridinium Salts

A series of 4‐X‐1‐methylpyridinium cationic nonlinear optical (NLO) chromophores (X=(E)‐CH?CHC₆H₅; (E)‐CH?CHC₆H₄‐4′‐C(CH₃)₃; (E)‐CH?CHC₆H₄‐4′‐N(CH₃)₂; (E)‐CH?CHC₆H₄‐4′‐N(C₄H₉)₂; (E,E)‐(CH?CH)₂C₆H₄‐4′‐N(CH₃)₂) with various organic (CF₃SO₃^?, p‐CH₃C₆H₄SO₃^?), inorganic (I^?, ClO₄^?, SCN^?, [Hg₂I₆]^2?) and organometallic (cis‐[Ir(CO)₂I₂]^?) counter anions are studied with the aim of investigating the role of ion pairing and of ionic dissociation or aggregation of ion pairs in controlling their second‐order NLO response in anhydrous chloroform solution. The combined use of electronic absorption spectra, conductimetric measurements and pulsed field gradient spin echo (PGSE) NMR experiments show that the second‐order NLO response, investigated by the electric‐field‐induced second harmonic generation (EFISH) technique, of the salts of the cationic NLO chromophores strongly depends upon the nature of the counter anion and concentration. The ion pairs are the major species at concentration around 10^?3 M , and their dipole moments were determined. Generally, below 5×10^?4 M , ion pairs start to dissociate into ions with parallel increase of the second‐order NLO response, due to the increased concentration of purely cationic NLO chromophores with improved NLO response. At concentration higher than 10^?3 M , some multipolar aggregates, probably of H type, are formed, with parallel slight decrease of the second‐order NLO response. Ion pairing is dependent upon the nature of the counter anion and on the electronic structure of the cationic NLO chromophore. It is very strong for the thiocyanate anion in particular and, albeit to a lesser extent, for the sulfonated anions. The latter show increased tendency to self‐aggregate.