Josephson effect through an isotropic magnetic molecule

We study the Josephson effect through a quantum dot magnet whose spin is isotropic and which is coupled to the dot electron spin via exchange coupling. We calculate the Andreev levels and the supercurrent and examine the intertwined effect of the exchange coupling, Kondo correlation, and superconductivity. The former suppresses Kondo correlations, which triggers phase transitions from the 0 to the pi state, but strong antiferromagnetic coupling restores the 0 state. The asymmetric phase diagram in the exchange coupling suggests that the coupling sign could be determined in experiments.     

An asymptotic Reissner–Mindlin plate model

A mathematical study via variational convergence of a periodic distribution of classical linearly elastic thin plates softly abutted together shows that it is not necessary to use a different continuum model nor to make constitutive symmetry hypothesis as starting points to deduce the Reissner–Mindlin plate model.     

Routing a mix of conventional,plug-in hybrid,and electric vehicles

We introduce an electric vehicle routing problem combining conventional, plug-in hybrid, and electric vehicles. Electric vehicles are constrained in their service range by their battery capacity, and may require time-consuming recharging operations at some specific locations. Plug-in hybrid vehicles have two engines, an internal combustion engine and an electric engine using a built-in rechargeable battery. These vehicles can avoid visits to recharging stations by switching to fossil fuel. However, this flexibility comes at the price of a generally higher consumption rate and utility cost.To solve this complex problem variant, we design a sophisticated metaheuristic which combines a genetic algorithm with local and large neighborhood search. All route evaluations, within the approach, are based on a layered optimization algorithm which combines labeling techniques and greedy evaluation policies to insert recharging stations visits in a fixed trip and select the fuel types. The metaheuristic is finally hybridized with an integer programming solver, over a set partitioning formulation, so as to recombine high-quality routes from the search history into better solutions. Extensive experimental analyses are conducted, highlighting the good performance of the algorithm and the contribution of each of its main components. Finally, we investigate the impact of fuel and energy cost on fleet composition decisions. Our experiments show that a careful use of a mixed fleet can significantly reduce operational costs in a large variety of price scenarios, in comparison with the use of a fleet composed of a single vehicle class.     

Implicit depot assignments and rotations in vehicle routing heuristics

Vehicle routing variants with multiple depots and mixed fleet present intricate combinatorial aspects related to sequencing choices, vehicle type choices, depot choices, and depots positioning. This paper introduces a dynamic programming methodology for efficiently evaluating compound neighborhoods combining sequence-based moves with an optimal choice of vehicle and depot, and an optimal determination of the first customer to be visited in the route, called rotation. The assignment choices, making the richness of the problem, are thus no more addressed in the solution structure, but implicitly determined during each move evaluation. Two meta-heuristics relying on these concepts, an iterated local search and a hybrid genetic algorithm, are presented. Extensive computational experiments demonstrate the remarkable performance of these methods on classic benchmark instances for multi-depot vehicle routing problems with and without fleet mix, as well as the notable contribution of the implicit depot choice and positioning methods to the search performance. New state-of-the-art results are obtained for multi-depot vehicle routing problems (MDVRP), and multi-depot vehicle fleet mix problems (MDVFMP) with unconstrained fleet size. The proposed concepts are fairly general, and widely applicable to many other vehicle routing variants.     

Approaches to open fullerenes: synthesis and thermal stability of cis-1 bis(isobenzofuran) Diels-Alder adducts of C60

In a quest to form wider openings within the cage of the fullerene C60 through controlled bond-breaking reactions, we have examined the double saturation of adjacent C=C bonds within a six-membered ring of C60. We have investigated the double Diels-Alder cycloaddition of two tethered isobenzofurans to the fullerene C60. We obtained cis-1 adducts in good yields after reacting the methylene- or quinoxaline-tethered bis(isobenzofuran) precursors 2a-k with parent 3,6-dihydro-1,2,4,5-tetrazine (3b). The X-ray structure of the methylene-tethered bis(isobenzofuran)-C60 adduct 4b has been obtained; four-eclipsed substituents are held rigidly by the bicyclic addends. The cis-1 bis(isobenzofuran) bisadducts 4b and 4e-j are kinetically far more stable toward thermal retro-Diels-Alder fragmentation than are mono(isobenzofuran) adducts of C60, in solution and in the solid state as determined by 1H NMR spectroscopy or thermogravimetric analysis. A methodology for the reversible solubilization of other fullerene derivatives based on this work is also presented.     

Synthesis of stable derivatives of c(62): the first nonclassical fullerene incorporating a four-membered ring

A rational synthetic approach to the first four-membered ring-containing derivatives of C(62) is reported. They were synthesized by an inverse electron demand Diels-Alder reaction of 3,6-diaryl-1,2,4,5-tetrazines with C(60) in o-dichlorobenzene, followed by visible light irradiation at reflux. The structure of these nonclassical fullerenes derivatives was determined by X-ray single-crystal diffraction.     

Control of the evolution of iron peroxide intermediate in superoxide reductase from Desulfoarculus baarsii. Involvement of lysine 48 in protonation

Superoxide reductase is a nonheme iron metalloenzyme that detoxifies superoxide anion radicals O(2)(?-) in some microorganisms. Its catalytic mechanism was previously proposed to involve a single ferric iron (hydro)peroxo intermediate, which is protonated to form the reaction product H(2)O(2). Here, we show by pulse radiolysis that the mutation of the well-conserved lysine 48 into isoleucine in the SOR from Desulfoarculus baarsii dramatically affects its reaction with O(2)(?-). Although the first reaction intermediate and its decay are not affected by the mutation, H(2)O(2) is no longer the reaction product. In addition, in contrast to the wild-type SOR, the lysine mutant catalyzes a two-electron oxidation of an olefin into epoxide in the presence of H(2)O(2), suggesting the formation of iron-oxo intermediate species in this mutant. In agreement with the recent X-ray structures of the peroxide intermediates trapped in a SOR crystal, these data support the involvement of lysine 48 in the specific protonation of the proximal oxygen of the peroxide intermediate to generate H(2)O(2), thus avoiding formation of iron-oxo species, as is observed in cytochrome P450. In addition, we proposed that the first reaction intermediate observed by pulse radiolysis is a ferrous-iron superoxo species, in agreement with TD-DFT calculations of the absorption spectrum of this intermediate. A new reaction scheme for the catalytical mechanism of SOR with O(2)(?-) is presented in which ferrous iron-superoxo and ferric hydroperoxide species are reaction intermediates, and the lysine 48 plays a key role in the control of the evolution of iron peroxide intermediate to form H(2)O(2).