Spectroscopic Evaluation of Mixing and Crystallinity of Fullerenes in Bulk Heterojunctions

The microstructure of blend films of conjugated polymer and fullerene, especially the degree of mixing and crystallization, impacts the performance of organic photovoltaic devices considerably. Mixing and crystallization affect device performance in different ways. These phenomena are not easy to screen using traditional methods such as imaging. In this paper, the amorphous regiorandom poly(3‐hexylthiophene) is blended with the potentially crystalline fullerene [6,6]‐phenyl‐C₆₁‐butyric acid methyl ester PCBM and the amorphous bis‐adduct. First, the degree of mixing of polymer: fullerene blends is evaluated using UV–Vis absorption, steady‐state and ultra‐fast photoluminescence spectroscopy. The blue‐shift of the polymer emission and absorption onset are used in combination with the saturation of the polymer emission decay time upon fullerene addition in order to infer the onset of aggregation of the blends. Second, the crystallinity of the fullerene is probed using variable angle spectroscopic ellipsometry (VASE), electroluminescence and photoluminescence spectroscopy. It is shown that the red‐shift of charge transfer emission in the case of PCBM based blends cannot be explained solely by a variation of optical dielectric constant as probed by VASE. A combination of optical spectroscopy techniques, therefore, allows to probe the degree of mixing and can also distinguish between aggregation and crystallization of fullerenes.     

Analysis of an RPV upper head SBLOCA at the ROSA facility using TRACE

Inspections of existing nuclear power plants have pointed out the possibility that small break loss-of-coolant accidents (SBLOCAs) could be initiated by a small break located in the upper head (UH) of the reactor pressure vessel (RPV). Such type of breaks has been the subject of investigation in some of the tests carried out in the framework of the OECD/NEA ROSA test program for safety research and safety assessment of light water reactors. The ROSA/LSTF test facility simulates a Westinghouse design PWR with a four-loop configuration and 3423 MWth. Areas, volumes and power are scaled down by a factor of 1:48 while the elevations are kept at full height. Only two loops, sized to conserve the volume scaling (2:48), are simulated. The present paper is focused on test 6-1 that simulated a RPV upper head SBLOCA with a break size equivalent to 1.9% cold leg break. The experiment assumes a total failure of the high pressure injection system (HPIS) and a loss of off-site power concurrent with the scram. The main purpose of the present study is the assessment of the capabilities of the best estimate system code, TRACE, to reproduce and understand the physical phenomena involved in this type of SBLOCA scenarios. Special attention was dedicated to the modelling of the leakage flows, necessary to correctly simulate the distribution of the water inventory in the primary side. In addition, the particular location of the break in test 6-1 allows the verification of the chocked flow model in the same way as for a separate-effect test.     

The Mortar-Discontinuous Galerkin Method for the 2D Maxwell Eigenproblem

We consider discontinuous Galerkin (DG) approximations of the Maxwell eigenproblem on meshes with hanging nodes. It is known that while standard DG methods provide spurious-free and accurate approximations on the so-called k-irregular meshes, they may generate spurious solutions on general irregular meshes. In this paper we present a mortar-type method to cure this problem in the two-dimensional case. More precisely, we introduce a projection based penalization at non-conforming interfaces and prove that the obtained DG methods are spectrally correct. The theoretical results are validated in a series of numerical experiments on both convex and non convex problem domains, and with both regular and discontinuous material coefficients.     

Coupling of quantum angular momenta: an insight into analogic/discrete and local/global models of computation

In the past few years there has been a tumultuous activity aimed at introducing novel conceptual schemes for quantum computing. The approach proposed in (Marzuoli and Rasetti, 2002, 2005a) relies on the (re)coupling theory of SU(2) angular momenta and can be viewed as a generalization to arbitrary values of the spin variables of the usual quantum-circuit model based on ‘qubits’ and Boolean gates. Computational states belong to finite-dimensional Hilbert spaces labelled by both discrete and continuous parameters, and unitary gates may depend on quantum numbers ranging over finite sets of values as well as continuous (angular) variables. Such a framework is an ideal playground to discuss discrete (digital) and analogic computational processes, together with their relationships occurring when a consistent semiclassical limit takes place on discrete quantum gates. When working with purely discrete unitary gates, the simulator is naturally modelled as families of quantum finite states-machines which in turn represent discrete versions of topological quantum computation models. We argue that our model embodies a sort of unifying paradigm for computing inspired by Nature and, even more ambitiously, a universal setting in which suitably encoded quantum symbolic manipulations of combinatorial, topological and algebraic problems might find their ‘natural’ computational reference model.     

Effect of shape and surface chemistry of TiO2 colloidal nanocrystals on the organic vapor absorption capacity of TiO2/PMMA composite

The organic vapor absorption capacity of poly(methyl metacrylate) (PMMA), filled with oleic acid (OLEA) capped TiO₂ nanocrystals (NCs) with curved shape, rod-like and spherical, is studied. The NC shape combined with the nature of the capping molecules can be used to enhance or reduce the PMMA ability to absorb different solvent molecules in a controlled way. Indeed, the arrangement of the ligands at the NC surface demonstrates an effective tool to control the extent of the interaction between the penetrating molecules and the embedded NCs from the outer to the inner specific chemical functionality of the coordinating ligand molecules.     

Comparison of different extraction and clean-up procedures for the determination of fumonisins in maize and maizebased food products

In order to optimize the analytical method for the determination of fumonisin B₁ (FB₁) and fumonisin B₂ (FB₂) in diVerent maize products, five materials (maize flour, cornflakes, extruded maize, muffins and infant formula) were investigated under a variety of experimental conditions organized in a ruggedness test according to a factorial design. The influence of five factors (extraction solvent, extraction mode, volume of extraction solvent, test sample size and clean-up) on method performances was tested by four laboratories using spiked materials (0.5 μg/g and 1.5 μg/g FB₁ + FB₂) and naturally contaminated materials (ca 1.5 μg/g with FB₁ + FB₂). The end determination step was performed by high-performance liquid chromatography analysis of the o-phthaldialdehyde derivatized extracts. The ruggedness test permitted identification of two critical factors in the analysis of fumonisins in the above products, namely 'extraction solvent' and 'cleanup procedure'. In particular, the use of acetonitrile (ACN)-water (1 + 1, v + v) as extraction solvent and immunoaffinity column for clean-up provided better recovery of fumonisins and chromatographic resolution as compared with methanol (MeOH)-water (3 + 1, v + v) and strong anion exchange (SAX), respectively. However, phase separation occurring after extraction with ACN-water may have given incorrect results. Based on the information obtained with the present study it was possible to develop a new method horizonhorizontally applicable to all the above mentioned maize-based food matrices.     

Simultaneous quantification of caffeoyl esters and flavonoids in wild and cultivated cardoon leaves

Cynara cardunculus is a diploid (2n = 2x = 34) species, native to the Mediterranean basin, which belongs to the family of Asteraceae. It includes globe artichoke, cultivated cardoon, as well as their progenitor wild cardoon. The species is a source of biophenols and its leaf extracts have been widely used in herbal medicine as hepatoprotectors and choleretics since ancient times. Globe artichoke leaves have been found to be rich in compounds originating from the metabolism of phenylpropanoids however, to our knowledge, the leaf polyphenolic composition of the two other forms within the species, cultivated and wild cardoon, have not yet been properly investigated. Two main classes of polyphenols have been detected by HPLC/DAD and HPLC/MS analyses: caffeoyl esters and flavonoids. The compounds which are the result of esterification of caffeoylquinic acid moiety with succinic acid, previously detected in other members of the Asteraceae family, were detected in cardoon leaves for the first time.     

Bdellovibrio bacteriovorus to control Escherichia coli on meat matrices

Bdellovibrio bacteriovorus is a predator micro-organism towards other Gram-negative bacteria. We tested B. bacteriovorus to control Escherichia coli growth on chicken slices and canned beef. Moreover, we analysed B. bacteriovorus's lytic ability on eight toxigenic or multidrug-resistant E. coli strains. In chicken slices, the predator induced the highest prey reduction (4.3 log) respect to control at 6 h. In canned beef, the predator induced the highest prey reduction (2.1 log) respect to control at 6 h. Moreover, B. bacteriovorus showed lytic ability towards all tested E. coli strains. B. bacteriovorus could control E. coli and other pathogenic and spoilage bacteria in those meat-based foods that have a shelf life <10 days. It could integrate modified atmosphere packaging (MAP) to prolong the shelf life and improve the safety of pre-packed fresh meat, meat preparations and meat products. In future applications on meat-based foods, B. bacteriovorus could also minimise the use of additives.     

Antimicrobial susceptibility of vancomycin-susceptible and -resistant enterococci isolated in Italy from raw meat products, farm animals, and human infections

The susceptibility of vancomycin-resistant (VRE) and vancomycin-susceptible (VSE) enterococci to 10 antimicrobial agents was evaluated. The strains, belonging to different species, were isolated in Italy from raw meat products, farm animals, and human clinical infections in the years 1997-2000. High frequency of resistance to tetracycline and erythromycin was observed in all the groups of strains. On the contrary, chloramphenicol was the only drug that showed a relatively low rate of resistance in all the groups examined. In general, the resistance rates observed for VSE did not differ from those observed for VRE of the same species and origin. Some differences could be noticed among the different enterococcal species, with Enterococcus faecium strains being usually more resistant to beta-lactams, and Enterococcus faecalis strains more resistant to gentamicin. However, the strongest differences were observed when the strains were compared according to their source, the human isolates being usually more resistant than the isolates of animal origin. No significant difference was observed between isolates of swine and poultry origin. Among VRE E. faecium, multiple resistance was much more frequent among the human strains (90%) than among poultry (48.9%) and swine (26.5%) strains. These results show that in Italy VRE isolates from human clinical infections are usually more resistant than isolates from meat products and farm animals, and possess different antimicrobial resistance profiles.     

Influence of genetic matrix and crop year on chemical and sensory profiles of Italian monovarietal extra‐virgin olive oils

BACKGROUND: Commercial virgin olive oils belonging to the cultivars (Bosana, Carolea, Coratina, Frantoio, Itrana, Leccino, Moraiolo, Peranzana, Piantone di Mogliano and Ravece) most represented at the Italian National Review of Monovarietal olive oils (Rassegna Nazionale Italiana degli oli Monovarietali) were considered. The evaluation of the influence of the cultivar and of the crop year as well as their interaction on oil composition were statistically analysed by a complete factorial design by principal components analysis and by linear discriminant analysis. RESULTS: In fatty acids composition, the effect of the cultivar and crop year and their interaction were highly significant. The statistical analysis showed that the sensory attributes (olive fruity, grassy, fresh almond, artichoke, tomato, aromatic herbs, bitter and pungent) were strongly influenced by the cultivar. The prevalent effect of the cultivar on the sensory profile was also demonstrated by the low or absent level of significance observed in the crop year. CONCLUSION: The construction of a databank based on a large number of samples, which is available at URL http://www.olimonovarietali.it , has contributed to the reduction of the variable effects involved in the oil production process. Knowledge of the chemical and sensory profiles of the Italian monovarietal olive oils could start a certification process of these oils, thus giving greater guarantees about their origin. Copyright © 2010 Society of Chemical Industry