An efficient electrophilic N-amination utilizing in situ generated chloramine under phase transfer conditions

An efficient, one-pot, phase transfer N-amination technology was developed. The protocol utilizes chloramine, an inexpensive and safe electrophilic aminating agent potentially viable for commercial manufacturing.     

Combining Swaps and Node Weights in an Adaptive Greedy Approach for the Maximum Clique Problem

In this work, the NP-hard maximum clique problem on graphs is considered. Starting from basic greedy heuristics, modifications and improvements are proposed and combined in a two-phase heuristic procedure. In the first phase an improved greedy procedure is applied starting from each node of the graph; on the basis of the results of this phase a reduced subset of nodes is selected and an adaptive greedy algorithm is repeatedly started to build cliques around such nodes. In each restart the selection of nodes is biased by the maximal clique generated in the previous execution. Computational results are reported on the DIMACS benchmarks suite. Remarkably, the two-phase procedure successfully solves the difficult Brockington-Culberson instances, and is generally competitive with state-of-the-art much more complex heuristics.     

An optical fibre pH sensor based on dye doped mesostructured silica

This paper describes the synthesis and optical pH sensing properties of a pH indicator dye activated mesostructured silica coated optical fibre. The pH-sensitive dye bromothymol blue was incorporated into the mesostructure sol precursor and thin films/coatings were used for pH-sensing applications without prior removal of the surfactant. The pH sensitivity range and operating wavelength were analysed by absorption measurements on layer dip-coated on glass slides. The pH sensing properties of coated optical fibre were tested by evanescent wave method. Experiments were carried out by using a series of solutions of known pH. No leaching was observed (except at very high pH) and an excellent reversibility was obtained between pH=2 and 5.     

An experimental analysis of a population based approach for global optimization

In this paper we perform a computational analysis of a population based approach for global optimization, Population Basin Hopping (PBH), which was proven to be very efficient on very challenging global optimization problems by the authors (see ). The experimental analysis aims at understanding more deeply how the approach works and why it is successful on challenging problems.     

Structural control in self-standing mesostructured silica oriented membranes and xerogels

Large pore (a = 150-200 A) wormlike and highly oriented cubic (IM3m space group) and 2D-hexagonal (P6m) mesostructured xerogels have been reproducibly synthesised by Evaporation-Induced Self Assembly (EISA). Mesostructure control was attained by changing the template (nonionic block copolymer) and water (h = [H2O]/[Si]) ratio.     

“Integrative sol–gel chemistry”: a nanofoundry for materials science

Integrative sol–gel chemistry based strategies allow, through the strong coupling between materials chemistry and advanced processing, the fabrication of functional inorganic and hybrid materials. The following article will highlight some of the main accomplishments performed during the last years in the design of nano- and multi-scale structured materials shaped as thin films, powders and monoliths with additional functionalities and outstanding properties in several fields of application such as optics, catalysis and nanomedicine. In particular we discuss the key role played by the adapted liquid processing of sol–gel based solution. We will describe some technologies (including dip coating, spray drying, droplet-microfluidics, ink-jet and foaming) in which a high degree of control in term of liquid shaping/evaporation/manipulation is required in order to achieve specific functionalities.     

Thermal and spectroscopic characterization of nanostructured zirconia–scandia–dysprosia

Zirconia containing 10 mol% scandia and x mol% dysprosia (0 ≤ x ≤ 1.5) gels was synthesized by simultaneous precipitation at room temperature. The aim of this work is to verify the effect of dysprosium on the cubic phase stabilization of the zirconia–scandia solid electrolyte. The gel was characterized by thermogravimetry, differential scanning calorimetry, and differential thermal analyses. The thermally treated powders were analyzed by Fourier transform infrared spectroscopy, thermal analyses, and X-ray diffraction techniques. For comparison purpose, a commercial zirconia–10 mol% scandia powder was subjected to some characterization techniques. The infrared spectrum shows characteristic absorption bands due to residual material from the synthesis on the surface of the powder particles. Nanostructured powders were obtained after thermal treatments at 500 °C for 2 h. Infrared spectroscopy and X-ray diffraction results evidence the stabilization of the cubic phase in zirconia–scandia containing dysprosium. The thermal stability of the cubic phase during thermal cycling was ascertained by thermal analysis.     

Photon channelling in foams

Experiments by Gittings, Bandyopadhyay and Durian (Europhys. Lett. 65, 414 (2004)) demonstrate that light possesses a higher probability to propagate in the liquid phase of a foam due to total reflection. The authors term this observation photon channelling which we investigate in this article theoretically. We first derive a central relation in the work of Gitting et al. without any free parameters. It links the photon's path-length fraction f in the liquid phase to the liquid fraction ɛ. We then construct two-dimensional Voronoi foams, replace the cell edges by channels to represent the liquid films and simulate photon paths according to the laws of ray optics using transmission and reflection coefficients from Fresnel's formulas. In an exact honeycomb foam, the photons show superdiffusive behavior. It becomes diffusive as soon as disorder is introduced into the foams. The dependence of the diffusion constant on channel width and refractive index is explained by a one-dimensional random-walk model. It contains a photon channelling state that is crucial for the understanding of the numerical results. At the end, we shortly comment on the observation that photon channelling only occurs in a finite range of ɛ.     

A general one-pot process leading to highly functionalised ordered mesoporous silica films

Various organic moieties are homogeneously introduced in high quantities into mesostructured porous silica films through a general co-condensation process, which influences the self-assembly mechanism, depending on the physico-chemical properties of each function.     

Simple ingredients leading to very efficient heuristics for the maximum clique problem

Starting from an algorithm recently proposed by Pullan and Hoos, we formulate and analyze iterated local search algorithms for the maximum clique problem. The basic components of such algorithms are a fast neighbourhood search (not based on node evaluation but on completely random selection) and simple, yet very effective, diversification techniques and restart rules. A detailed computational study is performed in order to identify strengths and weaknesses of the proposed algorithms and the role of the different components on several classes of instances. The tested algorithms are very fast and reliable: most of the DIMACS benchmark instances are solved within very short CPU times. For one of the hardest tests, a new putative optimum was discovered by one of our algorithms. Very good performances were also shown on recently proposed and more difficult instances. It is important to remark that the heuristics tested in this paper are basically parameter free (the appropriate value for the unique parameter is easily identified and was, in fact, the same value for all problem instances used in this paper).