Unleashing the performance of ccNUMA multiprocessor architectures in heterogeneous stencil computations

The Journal of Supercomputing - This paper meets the challenge of harnessing the heterogeneous communication architecture of ccNUMA multiprocessors for heterogeneous stencil computations, an...     

Reduced Mating Success of Female Tortricid Moths Following Intense Pheromone Auto-Exposure Varies with Sophistication of Mating System

Mating disruption is a valuable tool for the management of pest lepidopteran species in many agricultural crops. Many studies have addressed the effect of female pheromone on the ability of males to find calling females but, so far, fewer have addressed the effect of pheromone on the mating behavior of females. We hypothesized that mating of female moth species may be adversely affected following sex pheromone auto-exposure, due to abnormal behavioral activity and/or antennal sensitivity. Our results indicate that, for Grapholita molesta and Pandemis pyrusana females, copulation, but not calling, was reduced following pre-exposure to sex pheromone. In contrast, for Cydia pomonella and Choristoneura rosaceana, sex pheromone pre-exposure did not affect either calling or copulation propensity. Adaptation of female moth antennae to their own sex pheromone, following sex pheromone auto-exposure, as measured by electroantennograms, occurred in a species for which identical exposure reduced mating success (G. molesta) and in a species for which such exposure did not affect mating success (C. rosaceana). These results suggest that pre-exposure of female moths of certain species to sex pheromone may further contribute to the success of pheromone-based mating disruption. Therefore, we conclude that, in some species, mating disruption may include a secondary mechanism that affects the mating behavior of female moths, in addition to that of males.     

Cellular automaton model for surface diffusion

Following our mesoscopic analysis of diffusion process in a strongly coupled adsorbate we propose a novel cellular automaton model for the same processes. Mutual interactions between adsorbate particles are modeled using lattice Boltzmann equation collision term, while their interactions with the solid are mimicked by a lattice Boltzmann-Lorentz collision term. Using Chapman-Enskog procedure we obtain an explicit expression for the diffusion coefficient and derive macroscopic equations which exhibit properties similar to those known from our earlier approach. Comparison of our model with other cellular automata models of diffusion processes is provided.     

Tetragonal Diiodotetrapyridinedicopper(I): Structure,Luminescence, and Computational Modeling

We report on a new crystal modification of (CuIPy₂) _n (Py?=?pyridine), a compound first reported by White et al. In contrast to White’s orthorhombic structure, which is comprised of rhomboid iodide-bridged dimers, Cu₂I₂Py₄, our new tetragonal crystal structure in space group P4₁2₁2 is disordered and can be interpreted as either iodide-bridged dimers or helical chains. To determine the structure type, variable temperature X-ray diffraction and luminescence measurements were carried out. The photoluminescence spectrum shows a distinct cluster-centered transition at high excitation energies which is consistent with the dimer structure. DFT and TD-DFT calculations were performed to explain the difference between the emission spectrum at high energies compared to low energies. Furthermore, correlation of the luminescence spectrum with the X-ray results as temperature is varied demonstrates that the cluster-centered luminescence band in Cu₂I₂Py₄ arises from close Cu?Cu distances which vary with temperature. A low temperature X-ray crystallographic redetermination of the cubane tetrameric Cu₄I₄Py₄ is also presented. Both Cu₂I₂Py₄ and Cu₄I₄Py₄ structures show distortion of the Cu _n I _n core cluster at low temperature resulting in reduced Cu?Cu distances, but with I?I distances roughly unchanged.     

Synthesis and activity of zirconocene catalysts supported on silica-type sol-gel carrier for ethylene polymerization

Summary Synthesis and activity of bis(cyclopentadienyl)zirconium dichloride catalyst supported on unconventional silica-type material obtained in sol-gel process and activated by organoaluminium co-catalyst were studied. The effect of support modification conditions (thermal dehydration and/or modification by organoaluminium compound) and a type of co-catalyst on an activity of the catalytic system in ethylene polymerization and properties of resulting polymers were investigated and compared with results obtained earlier for vanadium catalysts supported on mentioned sol-gel carrier. The most appropriate method of the sol-gel silica-type support preparation is thermal pre-treating (200°C) followed by modification with AlEt₂Cl. Metallocene catalyst supported on such sol-gel product and activated by MAO appeared to be most active among studied systems. Studied Cp₂ZrCl₂/MAO supported on silica-type sol-gel carrier allow to obtain polyethylene (at 50°C polymerization temperature) with yield up to 30·10⁶ g/(mol_Zr·h), molecular weight below 300 000 and MWD=2−4. Received: 4 September 2000/Revised version: 3 January 2001/Accepted: 3 January 2001     

A novel organometallic ReI complex with favourable properties for bioimaging and applicability in solid-phase peptide synthesis

Organometallic complexes possess great potential for imaging applications in biology, due to their kinetic stability and often favourable intrinsic properties. In this work we present a new class of Re(I) -tricarbonyl complexes with a substituted bis(phenanthridinylmethyl)amine (bpm) ligand. The complex Re(CO)(3) (R-bpm) could be conveniently prepared by microwave synthesis from [Re(CO)(3)(H(2)O)(3) ]Br and a suitably substituted bis(phenanthridinylmethyl)amine (R-bpm). Complex 5, with R=CH(2)-CO(2)-CH(3) , was characterized by a single-crystal X-ray structure. Complex 6 (R=CH(2)-C(6)H(4)-CO(2)H) was used in solid-phase peptide synthesis (SPPS) to label the neurotensin(8-13) (NT) fragment N-terminally. The complexes show luminescence emission with large Stokes shifts (λ(ex) =350 nm, λ(em) =570 nm). Cellular uptake and intracellular localization studies in several cell lines demonstrate the utility of the new Re(CO)(3) (R-bpm) complexes for fluorescence imaging and reveal significant differences between the simple methyl ester 5 and the NT bioconjugate 7.     

Oxidized rapeseed oil methyl ester as a bitumen flux: Structural changes in the ester during catalytic oxidation

Structural changes occurring in the rapeseed oil methyl ester upon catalytic oxidation at 200 °C were examined. Oxidative decomposition of fatty acid chains to lower molecular weight compounds and the formation of oligomers were the major oxidation pathways at 200 °C. FT-IR and ¹H NMR examinations, as well as the fall in iodine number, revealed the disappearance of double bonds. Quantitative analysis of the rapeseed oil methyl ester and the liquid products of its oxidation showed that oxidation of fatty acid methyl esters possessing three and two double bonds was practically complete whereas for structures possessing one double bond the loss of unsaturation amounted to 25% only. The decrease in iodine number from about 110 to about 65 and the 1.5-fold increase in molecular weight of the liquid products in the course of 25-h oxidation suggest that only a part of the unsaturated bonds in the fatty acid methyl ester was engaged in the formation of liquid oligomers and volatile oxidation products. The addition of dicumyl peroxide promoted the formation of organic peroxides during the initial stage of oxidation, which resulted in a higher molecular weight of the liquid products. The volatile oxidation products were found to contain lower molecular weight aldehydes, ketones, free fatty acids and their methyl esters, alkylfurans, lactones, n- and isoalkanes. The reaction schemes for their formation were presented. The results of the study are of importance to the optimization of the conditions for oxidation of the ester in order to obtain a quality ecological bitumen flux.     

Energy policy and the role of bioenergy in Poland

Poland, as many other countries, has ambitions to increase the use of renewable energy sources. In this paper, we review the current status of bioenergy in Poland and make a critical assessment of the prospects for increasing the share of bioenergy in energy supply, including policy implications. Bioenergy use was about 4% (165 PJ) of primary energy use (3900 PJ) and 95% of renewable energy use (174 PJ) in 2003, mainly as firewood in the domestic sector. Targets have been set to increase the contribution of renewable energy to 7.5% in 2010, in accordance with the EU accession treaty, and to 14% in 2020. Bioenergy is expected to be the main contributor to reaching those targets. From a resource perspective, the use of bioenergy could at least double in the near term if straw, forestry residues, wood-waste, energy crops, biogas, and used wood were used for energy purposes. The long-term potential, assuming short rotation forestry on potentially available agricultural land is about one-third, or 1400 PJ, of current total primary energy use. However, in the near term, Poland is lacking fundamental driving forces for increasing the use of bioenergy (e.g., for meeting demand increases, improving supply security, or further reducing sulphur or greenhouse gas emissions). There is yet no coherent policy or strategy for supporting bioenergy. Co-firing with coal in large plants is an interesting option for creating demand and facilitating the development of a market for bioenergy. The renewable electricity quota obligation is likely to promote such co-firing but promising applications of bioenergy are also found in small- and medium-scale applications for heat production. Carbon taxes and, or, other financial support schemes targeted also at the heating sector are necessary in the near term in order to reach the 7.5% target. In addition, there is a need to support the development of supply infrastructure, change certain practices in forestry, coordinate RD&D efforts, and support general capacity building. The greatest challenge for the longer term lies in reforming and restructuring the agricultural sector.     

Thermal neutron detection with Ce doped LiCaAlF6 single crystals

Cerium-doped LiCaAlF₆ (Ce:LiCAF) crystals have been studied as scintillators in application to thermal neutron detection. Three crystals: high-doping Ce:LiCAF, low-doping Ce:LiCAF with 50% enrichment of ⁶Li (both 10 mm×10 mm×2 mm, rectangular) and high-doping Ce:LiCAF with 95% enrichment of ⁶Li (Ø50.8 mm×2 mm, discus) coupled to Photonis XP5300B PMT, were tested. The response of these crystals to neutrons emitted from a paraffin moderated ²³⁸PuBe source has been investigated. Thermal neutron peaks have been found at a Gamma Equivalent Energy (GEE) of ∼2.5 MeV for high-doping Ce:LiCAF (50% ⁶Li), ∼2 MeV for low-doping Ce:LiCAF (50% ⁶Li) and ∼1.9 MeV for high-doping Ce:LiCAF (95% ⁶Li). The light output of Ce:LiCAF was also measured (175-250 phe/MeV from sample to sample). Lithium-6 glass GS20 from Saint Gobain was used as a reference scintillator (Ø50 mm×2 mm, circle). Relative neutron efficiency, normalized to that of GS20 lithium glass, as well as gamma-neutron intrinsic efficiency for all tested samples was calculated. Intrinsic efficiency on thermal neutron detection for small Ce:LiCAF samples was estimated at about 32-35% of that of GS20 and for large Ce:LiCAF sample as about 82% of that of GS20.