<Emphasis Type="Italic">T</Emphasis> = 0 phase diagram of the 1<Emphasis Type="Italic">D</Emphasis> Hubbard model with magnetic interactions in the narrow band limit

In this paper we study a generalization of the Hubbard model by considering spin-spin interactions described by the exchange constant J. An external magnetic field his also taken into account. In the narrowband limit and for the 1D case, we present the exact solution obtained in the framework of the Green’s function formalism, using the Composite Operator Method. We report the T = 0 phase diagram for both ferro (J > 0) and anti-ferro (J < 0) couplings. The competition of the different energy scales (U, J, and h; being U the local charge interaction) generates a variety of phases and different charge and spin orderings.     

Solving large set covering problems for crew scheduling

This paper presents a computationally effective heuristic method which produces good-quality solutions for large-scale set covering problems with thousands of constraints and about one million variables. The need to solve such large-scale problems arises from a crew scheduling problem of mass transit agencies where the number of work shifts required has to be minimized. This problem may be formulated as a large-scale non-unicost set covering problem whose rows are trips to be performed while columns stand for round trips. The proposed method is mainly based on lagragian relaxation and sub-gradient optimization. After the reduction of the number of rows and columns by the logical tests, “greedy” heuristic algorithms provide upper and lower bounds which are continuously improved to produce goodquality solutions. Computational results, regarding randomly generated problems and real life problems concerning crew scheduling at Italian Railways Company, show that good-quality solutions can be obtained at an acceptable computational cost. This work was supported by the project “Progetto Finalizzato Transporti 2” of National Research Council of Italy (C.N.R.) contract No. 94.01436PF74 and by “Ferrovie dello Stato S.p.A.”     

Macrophage Migration Inhibitory Factor (MIF) and Its Homologue D-Dopachrome Tautomerase (DDT) Inversely Correlate with Inflammation in Discoid Lupus Erythematosus

Discoid Lupus Erythematosus (DLE) is a chronic cutaneous disease of unknown etiology and of immunoinflammatory origin that is characterized by inflammatory plaques and may lead to disfiguring scarring and skin atrophy. Current treatments are limited, with a large proportion of patients either poorly or not responsive, which makes DLE an unmet medical need. Macrophage migration inhibitory factor (MIF) is the prototype of a pleiotropic family of cytokine that also includes the recently discovered homologue D-dopachrome tautomerase (DDT) or MIF2. MIF and DDT/MIF-2 exert several biological properties, primarily, but not exclusively of a proinflammatory nature. MIF and DDT have been suggested to play a key role in the pathogenesis of several autoimmune diseases, such as multiple sclerosis and type 1 diabetes, as well as in the development and progression of certain forms of cancers. In the present study, we have performed an immunohistochemistry analysis for the evaluation of MIF in DLE lesions and normal skin. We found high levels of MIF in the basal layer of the epidermis as well as in the cutaneous appendage (eccrine glands and sebocytes) of normal skin. In DLE lesions, we observed a significant negative correlation between the expression of MIF and the severity of inflammation. In addition, we performed an analysis of MIF and DDT expression levels in the skin of DLE patients in a publicly available microarray dataset. Interestingly, while these in silico data only evidenced a trend toward reduced levels of MIF, they demonstrated a significant pattern of expression and correlation of DDT with inflammatory infiltrates in DLE skins. Overall, our data support a protective role for endogenous MIF and possibly DDT in the regulation of homeostasis and inflammation in the skin and open up novel avenues for the treatment of DLE.     

Kinetic comparison of isomeric oligo(ethylene oxide) (meth)acrylates: Aqueous polymerization of oligo(ethylene oxide) methyl ether methacrylate and methyl 2-(oligo(ethylene oxide) methyl ether)acrylate macromonomers

The photoinduced energy/electron transfer-reversible addition-fragmentation chain transfer (PET-RAFT) polymerizations of oligo(ethylene oxide) monomethyl ether methacrylate (OEOMA, also known as poly[ethylene glycol] methyl ether methacrylate, PEGMA) and isomeric methyl 2-(oligo(ethylene oxide) methyl ether)acrylate (2OEOAM) macromonomers with OEO average degree of polymerization of 22 or 45 were conducted in aqueous media to provide insight into the effect of monomer structure on grafting-through RAFT of 1,1-disubstituted acrylic macromonomers. The polymerizations of all four monomers reached nearly quantitative conversion. The longer macromonomers polymerized faster than the shorter ones within the same monomer class. The OEO side chain at the α (i.e., 2-) position of isomeric acrylates significantly slowed RAFT polymerization in comparison with OEO ester side chain of methacrylates.     

Template‐Assisted Synthesis of Self‐Doped Polyaniline: Morphological Effects of Templates on the Conductivity

Self‐doped sulfonated polyaniline (PSA) has been synthesized on the surface of micellar nanoparticles made from positively charged surfactants by biocatalysis. The conformation forced by the electrostatic charge interactions between the positively charged micelle and the negatively charged PSA increases the conductivity of the PSA by three orders of magnitude. The pure PSA recovered from ion exchange, however, shows quite similar electrical properties compared with sulfonated polyanilines reported earlier. The increased conductivity of PSA complexes is as a result of the increased charge carrier concentration caused by a certain conformational locking.

     

EVE-OPT: a hybrid algorithm for the capacitated vehicle routing problem

This paper presents EVE-OPT, a Hybrid Algorithm based on Genetic Algorithms and Taboo Search for solving the Capacitated Vehicle Routing Problem. Several hybrid algorithms have been proposed in recent years for solving this problem. Despite good results, they usually make use of highly problem-dependent neighbourhoods and complex genetic operators. This makes their application to real instances difficult, as a number of additional constraints need to be considered. The algorithm described here hybridizes two very simple heuristics and introduces a new genetic operator, the Chain Mutation, as well as a new mutation scheme. We also apply a procedure, the k-chain-moves, able to increase the neighbourhood size, thereby improving the quality of the solution with negligible computational effort. Despite its simplicity, EVE-OPT is able to achieve the same results as very complex state-of-the art algorithms.     

On plastic dynamics of discrete structural models

Summary This paper discusses the dynamic loading of rigid-perfectly plastic structures by adopting a structural model discretized with constant stress finite elements. This assumption together with the hypothesis of small displacements and of a piecewise linear yield surface leads to the formulation of a problem in linear inequalities, which is, implicitly, time discretized. It is shown how the non linearity of the associated plastic flow laws leads to an equivalent extremal formulation. A numerical algorithm for solving the problem is directly derived from the mechanical statements. Numerical examples illustrate this approach. In the appendix an approximate technique is developed, which takes into account the influence of the strain-hardening and the strain rate sensitivity of material.

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Sommario Il problema del caricamento dinamico delle strutture rigido-plastiche viene affrontato attraverso un modello discretizzato per elementi finiti a stato di sollecitazione costante. Tale assunzione insieme alle ipotesi di superficie di plasticizzazione lineare a tratti e di piccoli spostamenti, conduce alla formulazione di un problema retto da diseguaglianze lineari che si presenta discretizzato, implicitamente, nel tempo. Si mostra che la non linearità delle leggi del flusso plastico associato conduce ad una equivalente formulazione di estremo.È esposto un algoritmo risolvente affatto aderente alla formulazione meccanica. Alcuni esempi illustrano il procedimento. Una proposta di adattamento al caso di materiali incrudenti e sensibili alle velocità di deformazione è presentata in appendice.

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Research supported by the National Research Council (C.N.R. - P.A.d.I.S.) of Italy.     

Uncatalyzed and solvent-free multicomponent process for the synthesis of biphenyl-2-carbonitrile derivatives

An innovative route to prepare a number of variously substituted new biphenyl derivatives is presented here. The protocol avoids the use of a catalyst, an organic solvent, and dry conditions. [reaction: see text]     

Electron paramagnetic resonance, scanning electron microscopy with energy dispersion X-ray spectrometry, X-ray powder diffraction, and NMR characterization of iron-rich fired clays

The aim of this study is to clarify the structure of an iron-rich clay and the structural changes involved in the firing process as a preliminary step to get information on ancient ceramic technology. To this purpose, illite-rich clay samples fired at different temperatures were characterized using a multitechnique approach, i.e., by electron paramagnetic resonance, scanning electron microscopy with electron dispersion X-ray spectrometry, X-ray powder diffraction, magic angle spinning and multiple quantum magic angle spinning NMR. During firing, four main reaction processes occur: dehydration, dehydroxylation, structural breakdown, and recrystallization. When the results are combined from all characterization methods, the following conclusions could be obtained. Interlayer H2O is located close to aluminum in octahedral sites and is driven off at temperatures lower than 600 degrees C. Between 600 and 700 degrees C dehydroxylation occurs whereas, between 800 and 900 degrees C, the aluminum in octahedral sites disappears, due to the breakdown of the illite structure, and all iron present is oxidized to Fe3+. In samples fired at 1000 and 1100 degrees C iron clustering was observed as well as large single crystals of iron with the occurrence of ferro- or ferrimagnetic effects. Below 900 degrees C the aluminum in octahedral sites presents a continuous distribution of chemical shift, suggesting the presence of slightly distorted sites. Finally, over the whole temperature range, the presence of at least two tetrahedral aluminum sites was revealed, characterized by different values of the quadrupolar coupling constant.