<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.”     

The quest for hydrogen bond-based metal organic nanotubes (MONT)

Given the ability of forming homomeric amide···amide dimer by iso-nicotinamide (nda), we postulate the existence of a hydrogen bond equivalent of the iso-reticular metal organic nanotubes (MONT) built by using copper, p,p′-diphenylmethylene-diphosphinate (pcp), and bipyridine. We obtained the desired primary arrangement of Cu/pcp/nda consisting of a 1-D chain. Instead of the expected amide/amide dimer, the NH₂ groups were engaged in H-bonding networks with the phosphinate ligands in a series of 2-D slabs. The differences and the similarities of the Cu/pcp chains in known MONTs and in the reported structure are also highlighted.     

"Green"-enzymatic synthesis of pegylated phenolic macromer and polymer

Environmentally benign synthesis of novel pegylated polyphenolics, by combining the extraordinary selectivities of a lipase and an oxidase to develop polymeric electrolytes for applications in dye sensitised solar cells.     

Conformational properties and homolytic bond cleavage of organic peroxides. I. An empirical approach based upon molecular mechanics and ab initio calculations

The conformational features of a large number of hydroperoxides ROOH and peroxides ROOR′, where R and R′ are alkyl groups of different and increasing size and phenyl rings, including ortho substituted derivatives, were obtained from molecular mechanics calculations by employing a standard package. For the molecules of small molecular size, comparison was carried out with the results of ab initio calculations. Heats of formation were also obtained from molecular mechanics for hydroperoxides and peroxides: The values are, in general, overestimated. For the molecules containing the CF₃ group, the calculated values are subject to large errors and heats of formation were obtained from ab initio total energies in the “atom equivalents” scheme. To estimate the homolytic dissociation energies of the different bonds in the peroxide molecules, heats of formation of R·, ·OR, and ·OOR radicals were employed and several of them had to be calculated. Different approaches were employed—molecular mechanics calculations, ab initio energies within the atom equivalent and isodesmic reaction schemes, and Benson's group additivity rule; values consistent within the different calculation methods were chosen for estimating dissociation energies. The bond dissociation energies indicate different trends in these molecules as a function of the nature of the R and R′ groups and the possible electronic effects operating in these molecules are discussed. © 1993 John Wiley & Sons, Inc.     

Synthesis of 2-Cycloalkenones (Parts of 1,4-Diacyl-1,3-butadiene Systems) and of a Heterocyclic Analogue by Metal-Catalyzed Decomposition of 2-Diazoacylfurans

Furans with side-chains at C(2) of various lengths terminating in diazomethyl keto groups are shown to undergo Rh₂(OAc)₄-catalyzed furan unravelling with the production of 2-cyclopentenone, 2-cyclohexenone, and 2-cycloheptenone to each of whose olefinic C(β) is attached an acrylaldehyde unit. Interposition of a cyclohexane or a methylaminomethylene moiety between the furan and diazoketo functions leads to the formation of a hydroindenone and pyrrolone, respectively. Replacement of the diazomethylketo terminus by an α-diazoethylketo system or a α-diazo-β-keto-ester function produces 2-substituted 2-cycloalkenones. A furan with a C₄, diazo-methylketo-terminating side-chain at C(3) is described to be transformed into a 4-formylmethylidene-2-cyclohe-xenone.     

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.     

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.     

A refined theory for laminated beams: Part II—An iterative variational approach

This paper presents a displacement-based one-dimensional model for the analysis of laminated composite beams, based on the assumption of cross sections rigid in their own planes. The proposed model is mainly focused on the boundary layer analysis. The representation of the axial displacements is given as products between line functions and warping modes of the cross section. Both the sets of unknown functions are determined by means of a variational formulation in order to obtain the ‘best choice’ for the thickness coordinate functions. The minimization of the total potential energy functional is reduced to a sequence of linear problems by means of a gradient technique. Various examples referring to simply supported and cantilever beams, subjected to distributed or concentrated loads, are solved. The results for stress distributions are found to be in excellent agreement with exact plane strain and finite element plane stress solutions even at very low distances from the end sections.

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Sommario In questo lavoro viene presentato un modello monodimens onale agli spostamenti per l'analisi di travi in laminato multistrato fondato sull'ipotesi di sezioni indeformabili nel proprio piano. Il modello è finalizzato principalmente allo studio degli effetti di bordo. Gli spostamenti assiali vengono espressi attraverso prodotti fra funzioni di linea e modi di ingobbamento della sezione. Entrambi gli insiemi di funzioni incognite sono determinati attraverso una formulazione variazionale allo scopo di ottimizzare le forme di ingobbamento della sezione. La minimizzazione del funzionale dell'energia potenziale totale viene ridotta ad una sequenza di problemi lineari mediante una tecnica tipo gradiente operando alternativamente le varizioni rispetto ai due insiemi di funzioni incognite. Negli esempi risolti, gli stati tensionali ottenuti risultano in eccellente accordo con soluzioni esatte (in stato piano di deformazione) e con soluzioni agli elementi finiti (in stato piano di tensione) anche in prossimità delle sezioni estreme libere o vincolate.