Numerical integration over polygons using an eight-node quadrilateral spline finite element

In this paper, a cubature formula over polygons is proposed and analysed. It is based on an eight-node quadrilateral spline finite element [C.-J. Li, R.-H. Wang, A new 8-node quadrilateral spline finite element, J. Comp. Appl. Math. 195 (2006) 54–65] and is exact for quadratic polynomials on arbitrary convex quadrangulations and for cubic polynomials on rectangular partitions. The convergence of sequences of the above cubatures is proved for continuous integrand functions and error bounds are derived. Some numerical examples are given, by comparisons with other known cubatures.     

Relating Categorical Semantics for Intuitionistic Linear Logic

There are several kinds of linear typed calculus in the literature, some with their associated notion of categorical model. Our aim in this paper is to systematise the relationship between three of these linear typed calculi and their models. We point out that mere soundness and completeness of a linear typed calculus with respect to a class of categorical models are not sufficient to identify the most appropriate class uniquely. We recommend instead to use the notion of internal language when relating a typed calculus to a class of models. After clarifying the internal languages of the categories of models in the literature we relate these models via reflections and coreflections. Mathematics Subject Classifications (2000) 03G30, 03B15, 18C50, 03B20.     

A distributed combustion solver for engine simulations on grids

Multi-dimensional models for predictive simulations of modern engines are an example of multi-physics and multi-scale mathematical models, since lots of thermofluiddynamic processes in complex geometrical configurations have to be considered. Typical models involve different submodels, including turbulence, spray and combustion models, with different characteristic time scales. The predictive capability of the complete models depends on the accuracy of the submodels as well as on the reliability of the numerical solution algorithms. In this work we propose a multi-solver approach for reliable and efficient solution of the stiff Ordinary Differential Equation (ODE) systems arising from detailed chemical reaction mechanisms for combustion modeling. Main aim was to obtain high-performance parallel solution of combustion submodels in the overall procedure for simulation of engines on distributed heterogeneous computing platforms. To this aim we interfaced our solver with the CHEMKIN-II package and the KIVA3V-II code and carried out multi-computer simulations of realistic engines. Numerical experiments devoted to test reliability of the simulation results and efficiency of the distributed combustion solver are presented and discussed.     

An Existence Result for a Problem with Critical Growth and Lack of Strict Convexity

We prove the existence of a nontrivial solution for a quasilinear elliptic equation involving a nonlinearity having critical growth and a convex principal part, which is not required to be strictly convex. Supported by MURST, Project “Variational Methods and Nonlinear Differential Equations”.     

Numerical analysis of roughness effect on microtube heat transfer

Roughness effect on the heat transfer and pressure loss performances of microscale tubes and channels are investigated through a finite element CFD code. Surface roughness is explicitly modelled through a set of random generated peaks along the ideal smooth surface. Different peak shapes and distributions are considered; geometrical parameters are representative of tubes in the diameter range from 50 to 150 μm. The use of a fine enough mesh allows the direct computation of tube performances under the assumption of incompressible fully developed flow. As a result, a significant increase in Poiseuille number is detected for all of the configurations considered, while the effect of roughness on heat transfer rate is smaller and highly dependent on the tube shape.     

Spin-flip limited exciton dephasing in CdSe/ZnS colloidal quantum dots

The dephasing time of the lowest bright exciton in CdSe/ZnS wurtzite quantum dots is measured from 5 to 170 K and compared with density dynamics within the exciton fine structure using a sensitive three-beam four-wave-mixing technique unaffected by spectral diffusion. Pure dephasing via acoustic phonons dominates the initial dynamics, followed by an exponential zero-phonon line dephasing of 109 ps at 5 K, much faster than the ~10 ns exciton radiative lifetime. The zero-phonon line dephasing is explained by phonon-assisted spin flip from the lowest bright state to dark-exciton states. This is confirmed by the temperature dependence of the exciton lifetime and by direct measurements of the bright-dark-exciton relaxation. Our results give an unambiguous evidence of the physical origin of the exciton dephasing in these nanocrystals.     

Vibrational study on the interactions between yak keratin fibres and glyoxylic acid

Raman and IR spectroscopy were used to investigate the changes induced in yak hair keratin by the straightening treatment based on glyoxylic acid. The amino acidic residues that appeared involved in the reaction with glyoxylic acid were serine and lysine; the involvement of the latter was deduced by the spectroscopic detection of iminic species, resulting from the reaction between the aminic group of lysine and the carbonyl group of glyoxylic acid. The reaction with glyoxylic acid induced conformational rearrangements that mainly involved the fibre bulk rather than the cuticle. Changes in the average tyrosine environment and its hydrogen‐bonding state were detected: at increasing glyoxylic acid incorporation, the tyrosine residues appeared more exposed, probably because of H‐bond interactions with the COOH group. The distribution of the disulfide bridge conformation was also affected, although no cleavage of the S–S bond was detected, in agreement with the shiny and healthy appearance of the fibres. Copyright © 2014 John Wiley & Sons, Ltd.     

A One-Pot Entry to a Novel 3-H-benzo[d]pyrazolo[1,5-b]isothiazole Ring System

Summary The phosphorus ylide obtained from the reaction between 2-aminobenzo[d]isothiazol-3-one and dimethyl acetylenedicarboxylate in the presence of triphenylphosphine undergoes a smooth intramolecular Wittig-type reaction to produce, in a one-pot reaction, 3-H-benzo[d]pyrazolo[1,5-b]isothiazole-2,3a-dicarboxylic acid dimethyl ester, a novel functionalized heterocyclic compound.     

Selective MAO-B inhibitors: a lesson from natural products

Monoamine oxidases (MAOs) are mitochondrial bound enzymes, which catalyze the oxidative deamination of monoamine neurotransmitters. Inside the brain, MAOs are present in two isoforms: MAO-A and MAO-B. The activity of MAO-B is generally higher in patients affected by neurodegenerative diseases like Alzheimer’s and Parkinson’s. Therefore, the search for potent and selective MAO-B inhibitors is still a challenge for medicinal chemists. Nature has always been a source of inspiration for the discovery of new lead compounds. Moreover, natural medicine is a major component in all traditional medicine systems. In this review, we present the latest discoveries in the search for selective MAO-B inhibitors from natural sources. For clarity, compounds have been classified on the basis of structural analogy or source: flavonoids, xanthones, tannins, proanthocyanidins, iridoid glucosides, curcumin, alkaloids, cannabinoids, and natural sources extracts. MAO inhibition values reported in the text are not always consistent due to the high variability of MAO sources (bovine, pig, rat brain or liver, and human) and to the heterogeneity of the experimental protocols used.