Ising transition in the two-dimensional quantum J1-J2 Heisenberg model

We study the thermodynamics of the spin-S two-dimensional quantum Heisenberg antiferromagnet on the square lattice with nearest (J1) and next-nearest (J2) neighbor couplings in its collinear phase (J(2)/J(1)>0.5), using the pure-quantum self-consistent harmonic approximation. Our results show the persistence of a finite-temperature Ising phase transition for every value of the spin, provided that the ratio J(2)/J(1) is greater than a critical value corresponding to the onset of collinear long-range order at zero temperature. We also calculate the spin and temperature dependence of the collinear susceptibility and correlation length, and we discuss our results in light of the experiments on Li2VOSiO4 and related compounds.     

Rich n-heptane and diesel combustion in porous media

Rich n-heptane and diesel flames in two-layer porous media are experimentally investigated in the context of syngas production. The stable operating points of n-heptane reforming have been determined and the mole fractions of H₂, CO, CO₂ and light hydrocarbons have been measured in the exhaust gas at an equivalence ratio of 2 for different thermal input values. The reformer performance has been assessed also from the point of view of the heat losses and the mixture homogeneity. The pre-vapouriser produces an approximately uniform vapour–air mixture upstream of the flame front. The range of flow rates for stable flames decreased with increasing equivalence ratio. Heat losses were about 10% of the thermal input at high firing rates. A 77.2% of the equilibrium H₂ was achieved at a flame speed of 0.82 m/s. The same reactor with a different porous matrix for the reforming stage demonstrates diesel reforming to syngas with a conversion efficiency of 77.3% for a flame speed of 0.65 m/s.     

One-pot synthesis of cyanuric acid-bridged porphyrin-porphyrin dyads

Stepwise amination of cyanuric chloride (1) with 5-(4-aminophenyl)-10,15,20-triphenylporphyrin (2) and/or its zinc(II) complex (3) enables the synthesis of porphyrin-porphyrin dyads with predetermined free base-free base forms or free base-zinc and zinc-zinc metalation states. Furthermore, the use of aminopropyl-silanized silica gel as a scavenger for unwanted byproducts allowed the one-pot synthesis of title porphyrin compounds in high yield and purity with minimum use of preparative column chromatography.     

A model for describing the thermodynamics of multivalent host-guest interactions at interfaces

A model has been described for interpreting the binding of multivalent molecules to interface-immobilized monovalent receptors through multiple, independent interactions. It is based on the concept of effective concentration, C(eff), which has been developed before for multivalent binding in solution and which incorporates effects of lengths and flexibilities of linkers between interacting sites. The model assumes: (i). the interactions are independent, (ii). the maximum number of interactions, p(max), is known, (iii). C(eff) is estimated from (simple) molecular models. Simulations of the thermodynamics and kinetics of multivalent host-guest binding to interfaces have been discussed, and competition with a monovalent competitor in solution has been incorporated as well. The model was successfully used to describe the binding of a divalent guest to self-assembled monolayers of a cyclodextrin host. The adsorption data of more complex guest-functionalized dendrimers, for which p(max) was not known beforehand, was interpreted as well. Finally, it has been shown that the model can aid to deconvolute contributions of multivalency and cooperativity to stability enhancements observed for the adsorption of multivalent molecules to interfaces.     

Detection of XY behavior in weakly anisotropic quantum antiferromagnets on the square lattice

We consider the Heisenberg antiferromagnet on the square lattice with S=1/2 and very weak easy-plane exchange anisotropy; by means of the quantum Monte Carlo method, based on the continuous-time loop algorithm, we find that the thermodynamics of the model is highly sensitive to the presence of tiny anisotropies and is characterized by a crossover between isotropic and planar behavior. We discuss the mechanism underlying the crossover phenomenon and show that it occurs at a temperature which is characteristic of the model. The expected Berezinskii-Kosterlitz-Thouless transition is observed below the crossover: a finite range of temperatures consequently opens for experimental detection of noncritical 2D XY behavior. Direct comparison is made with uniform susceptibility data relative to the S=1/2 layered antiferromagnet Sr2CuO2Cl2.     

Entropy Production and Admissibility of Shocks

In shock wave theory there are two considerations in selecting the physically relevant shock waves.There is the admissibility criterion for the well-posedness of hyperbolic conservation laws.Another consideraztion concerns the entropy production across the shochs.The latter is natural from the physical point of view,but is not sufficient in its straightforward formulation,if the system is not genuinely nonlinear.In this paper we propose the principles of increasing entropy production and that of the superposition of shocks.These principles arc shown to be equivalent to the admissibility criterion.     

Electrochemical Kinetic Characterization of Redox Mediated Glucose Oxidase Reactions: A Simplified Approach

One of the main drawbacks affecting first‐generation electrochemical biosensors in the analysis of real matrices is the interference of electroactive species present in the sample under investigation. Several approaches have been attempted to overcome this problem in the past ten years but the best results were achieved by using mediated based electrochemical biosensors. Despite this, the kinetic of the redox mediators‐enzymatic proteins interaction has not been studied deeply enough. In this work we have developed a theoretical‐methodological approach for the characterization of the kinetic of interaction between redox enzymes and substrates and/or redox mediators. Particularly, the interaction of glucose oxidase (GOx) with several commercially available redox mediators has been studied by means of amperometry and cyclic voltammetry. The main kinetic parameters for different mediators were exploited and discussed with the aim of finding the best mediator for a glucose biosensor to be used on real samples.