Edge-to-edge interfaces in Ti?Al modeled with the embedded atom method

The atomistic structure and energies of high-index interphase boundaries are explored using a combination of molecular statics and dynamics simulations with embedded atom potentials. We investigate planar boundaries between the α₂ and γ phases in the Ti−Al system. The class of boundaries considered has a high-index boundary orientation; the orientation relationship between the α₂ and γ phases also is high index, and a set of planes from each phase meet edge to edge at the boundary plane. For the particular case of a boundary that is commensurate in one direction and coincides with a moiré plane given by the so-called “Δg” diffraction condition, the boundary is not structurally singular, but it is energetically stable and does not appear to dissociate into other low-energy configurations. Misfit compensating defects are not observed; misfit in directions other than the commensurate one appears to be distributed uniformly. The boundary energy is evaluated as a function of the orientation of the boundary plane, and the edge-to-edge (moiré) boundary is found to lie in an energy cusp. This article is based on a presentation made in the “Hume-Rothery Symposium on Structure and Diffusional Growth Mechanisms of Irrational Interphase Boundaries,” which occurred during the TMS Winter meeting, March 15–17, 2004, in Charlotte, NC, under the auspices of the TMS Alloy Phases Committee and the co-sponsorship of the TMS-ASM Phase Transformations Committee.     

Development of catalysts for hydrogen generation from hydride compounds

Catalytic hydrolysis of NaBH₄ and NH₃BH₃ has been studied. It was shown that the nature of the support and the active component of the catalyst affect the H₂ generation rate. Despite similar sizes of rhodium particles formed on the surface of different supports (γ-Al₂O₃, TiO₂, carbon), their reactivity is different. Rh/TiO₂ with low rhodium concentration (1 wt.%) is the most active catalyst both in the hydrolysis of NaBH₄ and NH₃BH₃. The obtained results show that the rhodium chloride interaction with titania determines the reactivity of rhodium particles formed under action of NaBH₄ medium. TEM, DRS UV–vis and XPS were used to characterize the catalysts.     

Trypsin inhibitor activity of soybean as affected by genotype and fertilisation

The presence of protease inhibitors in soybean prohibits the utilisation of the raw beans for food and feed. However, little information is available about environmental influences and the effects of nitrogen and sulphur supply on the antinutritional constituents of soybean. As these factors may influence protease inhibitors, soybean genotypes segregated according to the presence or absence of the Kunitz trypsin inhibitor have been evaluated for trypsin inhibitor activity (TIA) in field trials. TIA was affected significantly by environment (geographical location), fertilisation treatment and genotype. Environmental means of TIA were between 69.5 and 104.8 mg g^?1. Nitrogen application, which caused an increase in seed protein content, resulted in a reduction in TIA by about 15% as compared with the control. Remarkably, simultaneous application of nitrogen and sulphur in the form of ammonium sulphate had a similar reductive effect on TIA to that of nitrogen application alone, although soybean protease inhibitors are rich in sulphur amino acids. Significant genetic variation in TIA was found both within the genotype class with the Kunitz inhibitor present as well as within the class lacking this inhibitor. The results suggest that TIA of soybean may be modified considerably by genetic improvement and appropriate agronomic management. Copyright © 2003 Society of Chemical Industry     

Fourier classification images in cardiac nuclear medicine

At present, the diagnosis of cardiac left ventricular regional wall motion abnormalities (RWMA) in nuclear medicine is aided mainly by phase images and amplitude images, which picture the spatial distribution of the phase and of the amplitude of the first harmonics of pixel time activity curves, respectively. However, they do not utilize other information contained in the original radionuclide images, and they do not offer a direct diagnostic interpretation of the data. The proposed Fourier classification images (FCI) overcome these deficiencies. Their pixel intensities express directly the diagnostic class of RWMA. The FCI pixel intensities are functions of pixel coordinates, Fourier features of pixel time activity curves, and their distribution parameters, and they are not limited by the first harmonics model. The derivation of the pixel classifier includes normalization transformation of coordinates and activities. Fourier analysis of raw image data, and teaching the computer by examples of already diagnosed cases with the help of discriminant analysis. FCI offer direct and robust diagnosis of RWMA, superior to that derived from phase and amplitude images, especially in the detection of mild RWMA.     

Floral volatiles ofTanacetum vulgare L. attractive toLobesia botrana den. et schiff. females

The European grapevine moth (EGVM),Lobesia botrana, is a major pest of grapes in Europe. Females are attracted to a nonhost plant: tansy (Tanacetum vulgare L.), which is a common weed in Slovakian vineyards. A steam distillate extract of tansy flowers was analyzed by means of a GC-EAG technique to screen constituents detected by the olfactory receptors of EGVM females. From more than 200 GC peaks, nine peaks corresponding to monoterpenoids released an EAG response in more than 70% of the females (N=15):p-cymene,d-limonene,-thujene,-thujone,-thujone, thujyl alcohol, terpinene-4-ol, (Z)-verbenol, and piperitone. The steam distillate of tansy as well as a synthetic blend of identified compounds released consistent attraction in a field cage. The use of nonhost plants and host plant odors in integrated pest management is discussed.     

ATP-Independent Initiation during Cap-Independent Translation of m6A-Modified mRNA

The methylation of adenosine in the N⁶ position (m⁶A) is a widely used modification of eukaryotic mRNAs. Its importance for the regulation of mRNA translation was put forward recently, essentially due to the ability of methylated mRNA to be translated in conditions of inhibited cap-dependent translation initiation, e.g., under stress. However, the peculiarities of translation initiation on m⁶A-modified mRNAs are not fully known. In this study, we used toeprinting and translation in a cell-free system to confirm that m⁶A-modified mRNAs can be translated in conditions of suppressed cap-dependent translation. We show for the first time that m⁶A-modified mRNAs display not only decreased elongation, but also a lower efficiency of translation initiation. Additionally, we report relative resistance of m⁶A-mRNA translation initiation in the absence of ATP and inhibited eIF4A activity. Our novel findings indicate that the scanning of m⁶A-modified leader sequences is performed by a noncanonical mechanism.     

Nature-Inspired Meta-Heuristics on Modern GPUs: State of the Art and Brief Survey of Selected Algorithms

Graphic processing units (GPUs) emerged recently as an exciting new hardware environment for a truly parallel implementation and execution of Nature and Bio-inspired Algorithms with excellent price-to-power ratio. In contrast to common multicore CPUs that contain up to tens of independent cores, the GPUs represent a massively parallel single-instruction multiple-data devices that can nowadays reach peak performance of hundreds and thousands of giga floating-point operations per second. Nature and Bio-inspired Algorithms implement parallel optimization strategies in which a single candidate solution, a group of candidate solutions (population), or multiple populations seek for optimal solution or set of solutions of given problem. Genetic algorithms (GA) constitute a family of traditional and very well-known nature-inspired populational meta-heuristic algorithms that have proved its usefulness on a plethora of tasks through the years. Differential evolution (DE) is another efficient populational meta-heuristic algorithm for real-parameter optimization. Particle swarm optimization (PSO) can be seen as nature-inspired multiagent method in which the interaction of simple independent agents yields intelligent collective behavior. Simulated annealing (SA) is global optimization algorithm which combines statistical mechanics and combinatorial optimization with inspiration in metallurgy. This survey provides a brief overview of the latest state-of-the-art research on the design, implementation, and applications of parallel GA, DE, PSO, and SA-based methods on the GPUs.     

Aerobic selective oxidation of (hetero)aromatic primary alcohols to aldehydes or carboxylic acids over carbon supported platinum

The synthesis of substituted benzaldehydes, benzoic acids, heterocyclic aromatic aldehydes and acids has been studied via the oxidation of the aromatic alcohols with air under mild pressure (<20 bar) at 100 °C, in the presence of a 1.95 wt.% Pt/C catalyst. The solvent was found to play the most important role in determining the selectivity of the oxidation products. Changing the solvent enabled tuning the reaction either to the aldehyde (pure dioxane), or the carboxylic acid (dioxane/aqueous solution without or with addition of sodium hydroxide). This oxidation method allowed to effectively oxidize many substituted benzylalcohols with various electron-releasing or -attracting groups (NO₂, Me, OMe, Cl, Br, OH, phenyl, …) and heterocyclic alcohols including nitrogen and sulphur atoms (2-thiophenemethanol, 2- and 4-pyridine methanol compounds).