Long Distance Enhancement of Nonlinear Optical Properties Using Low Concentration of Plasmonic Nanostructures in Dye Doped Monolithic Sol–Gel Materials

Monolithic sol–gel silica composites incorporating platinum‐based chromophores and various types of gold nanoparticles (AuNPs) are prepared and polished to high optical quality. Their photophysical properties are investigated. The glass materials show well‐defined localized surface plasmon resonance (SPR) absorbance from the visible to NIR. No redshifts of the AuNP plasmon absorption peaks due to the increase in nanoparticle doping concentration are observed in the glasses, proving that no or very small SPR coupling effects occur between the AuNPs. At 600 nm excitation, but not at 532 nm, the AuNPs improve the nonlinear absorption performance of glasses codoped with 50 × 10^?3 m of a Pt‐acetylide chromophore. The glasses doped with lower concentrations of AuNPs (2–5 μm average distance) and 50 × 10^?3 m in chromophore, show a marked improvement in nonlinear absorption, with no or only small improvement for the more highly AuNP doped glasses. This study shows the importance of excitation wavelength and nanoparticle concentration for composite systems employing AuNPs to improve two‐photon absorption of chromophores.     

Electrical characterization of poly(amide-imide) for application in organic field effect devices

The admittance spectra and current–voltage (I–V) characteristics are reported of metal–insulator–metal (MIM) and metal–insulator–semiconductor (MIS) capacitors employing cross-linked poly(amide–imide) (c-PAI) as the insulator and poly(3-hexylthiophene) (P3HT) as the active semiconductor. The capacitance of the MIM devices are constant in the frequency range from 10 Hz to 100 kHz, with tan δ values as low as 7 × 10⁻³ over most of the range. Except at the lowest voltages, the I–V characteristics are well-described by the Schottky equation for thermal emission of electrons from the electrodes into the insulator. The admittance spectra of the MIS devices displayed a classic Maxwell–Wagner frequency response from which the transverse bulk hole mobility was estimated to be ∼2 × 10⁻⁵ cm² V⁻¹s⁻¹ or ∼5 × 10⁻⁸ cm² V⁻¹s⁻¹ depending on whether or not the surface of the insulator had been treated with hexamethyldisilazane (HMDS) prior to deposition of the P3HT. From the maximum loss observed in admittance-voltage plots, the interface trap density was estimated to be ∼5 × 10¹⁰ cm⁻² eV⁻¹ or ∼9 × 10¹⁰ cm⁻² eV⁻¹ again depending whether or not the insulator was treated with HMDS. We conclude, therefore, that HMDS plays a useful role in promoting order in the P3HT film as well as reducing the density of interface trap states. Although interposing the P3HT layer between the insulator and the gold electrode degrades the insulating properties of the c-PAI, nevertheless, they remain sufficiently good for use in organic electronic devices.     

Parallel discovery of network motifs

Many natural structures can be naturally represented by complex networks. Discovering network motifs, which are overrepresented patterns of inter-connections, is a computationally hard task related to graph isomorphism. Sequential methods are hindered by an exponential execution time growth when we increase the size of motifs and networks. In this article we study the opportunities for parallelism in existing methods and propose new parallel strategies that adapt and extend one of the most efficient serial methods known from the Fanmod tool. We propose both a master–worker strategy and one with distributed control, in which we employ a randomized receiver initiated methodology capable of providing dynamic load balancing during the whole computation process. Our strategies are capable of dealing both with exact and approximate network motif discovery. We implement and apply our algorithms to a set of representative networks and examine their scalability up to 128 processing cores. We obtain almost linear speedups, showcasing the efficiency of our proposed approach and are able to reach motif sizes that were not previously achievable using conventional serial algorithms.     

Interface Characterization in Fiber-Reinforced Polymer–Matrix Composites

A novel methodology is presented and applied to measure the shear interface strength of fiber-reinforced polymers. The strategy is based in fiber push-in tests carried out on the central fiber of highly-packed fiber clusters with hexagonal symmetry, and it is supported by a detailed finite element analysis of the push-in test to account for the influence of hygrothermal residual stresses, fiber constraint and fiber anisotropy on the interface strength. Examples of application are presented to determine the shear interface strength in carbon and glass fiber composites reinforced with either thermoset or thermoplastic matrices. In addition, the influence of the environment (either dry or wet conditions) on the interface strength in C/epoxy composites is demonstrated.     

Migration of phenolic compounds from different cork stoppers to wine model solutions: antioxidant and biological relevance

Considering the enological interest of cork, this study aimed to identify and quantify the phenolic compounds able to migrate from different classes (natural cork stoppers “Flor” and “Third” quality and microagglomerate cork stopper) of cork stoppers into bottled wine model solutions. Another aim was to evaluate some antioxidant and biological features of cork phenolics that migrated into the wine model solutions. The main phenolic acids and aldehydes detected were as follows: gallic and protocatechuic acid detected both around 3.5 mg/L and vanillin and protocatechuic aldehyde detected around 2.5 and 1.5 mg/L after 27 months of bottling, respectively. Trace amounts of more complex polyphenols, namely hydrolysable tannins (castalagin/vescalagin and mongolicain A/B), were also detected. Two antioxidant features of the wine model solutions bottled with different wine cork stoppers were studied, namely the antiradical capacity and the reducing capacity, being the natural cork stoppers the ones with the higher activities. The intestinal absorption of the compounds in each wine model solution after 27 months in bottled was evaluated. The simpler phenolic compounds were able to cross Caco-2 cell model. The antiproliferative activity of the same wine model solutions was also evaluated against gastric and breast cancer cells. All samples were active against the two cell lines, which highlight the possible health outcomes of wine sealed with cork stoppers.     

Numerical Modelling of Thin-Walled Stainless Steel Structural Elements in Case of Fire

In this paper, the structural response of stainless steel thin-walled elements submitted to fire is analysed numerically by means of the geometrically and materially non-linear Finite Element program SAFIR, including imperfections. In order to make these simulations, two main changes in the program were made: (i) the code was changed in order to deal with the stainless steel 2D material constitutive law to be used with shell elements and (ii) the possibility of the program to take into account residual stresses with shell finite elements was introduced. The stainless steel stress–strain relationship at high temperatures was based on the one presented in part 1.2 of Eurocode 3. To model the strain hardening exhibited by the stainless steels, using the shell element formulation, an approximation to the Eurocode 3 constitutive law was needed. Local and global geometrical imperfections were considered in the simulations. The paper shows the influence of the residual stresses on the ultimate load-carrying capacity of thin-walled stainless steel structural elements in case of fire.     

Nanostructured hematite thin films produced by spin-coating deposition solution: Application in water splitting

Doped and undoped hematite films for photoelectrochemical hydrogen production were prepared by spin-coating deposition solution (SCDS). To understand the influence of the Si-doping and identify the critical parameters of the proposed SCDS method an extensive characterization was conducted. The Si-doped hematite exhibited higher photocurrent response when compared with undoped films. We have shown that the crystallographic orientation degree of the films appears to be a dominant factor affecting the photocurrent. The performance of our hematite electrodes is well below the maximum theoretical efficiency and the conceivable explanation could be given by the high value of recombination phenomena (electron/hole pair).     

Anticoagulant, Antioxidant and Antitumor Activities of Heterofucans from the Seaweed Dictyopteris delicatula

In the present study, six families of sulfated polysaccharides were obtained from seaweed Dictyopteris delicatula by proteolytic digestion, followed by acetone fractionation and molecular sieving on Sephadex G-100. Chemical analyses demonstrated that all polysaccharides contain heterofucans composed mainly of fucose, xylose, glucose, galactose, uronic acid, and sulfate. The fucans F0.5v and F0.7v at 1.0 mg/mL showed high ferric chelating activity (～45%), whereas fucans F1.3v (0.5 mg/mL) showed considerable reducing power, about 53.2% of the activity of vitamin C. The fucan F1.5v presented the most prominent anticoagulant activity. The best antiproliferative activity was found with fucans F1.3v and F0.7v. However, F1.3v activity was much higher than F0.7v inhibiting almost 100% of HeLa cell proliferation. These fucans have been selected for further studies on structural characterization as well as in vivo experiments, which are already in progress.     

A hybrid model for a multiproduct pipeline planning and scheduling problem

Brazilian petrobras is one of the world largest oil companies. Recurrently, it faces a very difficult planning and scheduling problem: how to operate a large pipeline network in order to adequately transport oil derivatives and biofuels from refineries to local markets. In spite of being more economical and environmentally safer, the use of a complex pipeline network poses serious operational difficulties related to resource allocation and temporal constraints. The current approaches known from the literature only consider a few types of constraints and restricted topologies, hence they are far from being applicable to real instances from petrobras. We propose a hybrid framework based on a two-phase problem decomposition strategy. A novel Constraint Programming (CP) model plays a key role in modelling operational constraints that are usually overlooked in literature, but that are essential in order to guarantee viable solutions. The full strategy was implemented and produced very adequate results when tested over large real instances.