Nematicon-nematicon interactions in a medium with tunable nonlinearity and fixed nonlocality

We investigate the attractive interaction between spatial solitons in nematic liquid crystals with a tunable nonlinearity and a constant nonlocality. The experimental study, carried out by controlling the orientation of the optic axis via the electro-optic response, shows how the interactions depend on reorientation, in excellent agreement with a model accounting for the anisotropic nature of the dielectric.     

Stochastic Semigroups and Coagulation Equations

A general class of bilinear systems of discrete or continuous coagulation equations is considered. It is shown that their solutions can be approximated by the solutions of appropriate stochastic systems describing the coagulation process in terms of stochastic semigroups. __________ Published in Ukrains'kyi Matematychnyi Zhurnal, Vol. 57, No. 6, pp. 770–777, June, 2005.     

Characterization of a cold-active and salt tolerant esterase identified by functional screening of Arctic metagenomic libraries

Background

The use of metagenomics in enzyme discovery constitutes a powerful approach to access to genomes of unculturable community of microorganisms and isolate novel valuable biocatalysts for use in a wide range of biotechnological and pharmaceutical fields.

Results

Here we present a novel esterase gene (lip3) identified by functional screening of three fosmid metagenomic libraries, constructed from three marine sediment samples. The sequenced positive fosmid revealed an enzyme of 281 amino acids with similarity to class 3 lipases. The 3D modeling of Lip3 was generated by homology modeling on the basis of four lipases templates [PDB ID: 3O0D, 3NGM, 3G7N, 2QUB] to unravel structural features of this novel enzyme. The catalytic triad of Lip3 was predicted to be Asp207, His267 and the catalytic nucleophile Ser150 in a conserved pentapeptide (GXSXG). The 3D model highlighted the presence of a one-helix lid able to regulate the access of the substrate to the active site when the enzyme binds a hydrophobic interface. Moreover an analysis of the external surface of Lip3 model showed that the majority of the surface regions were hydrophobic (59.6 %) compared with homologous lipases (around 35 %) used as templates. The recombinant Lip3 esterase, expressed and purified from Escherichia coli, preferentially hydrolyzed short and medium length p-nitrophenyl esters with the best substrate being p-nitrophenyl acetate. Further characterization revealed a temperature optimum of 35 °C and a pH optimum of 8.0. Lip3 exhibits a broad temperature stability range and tolerates the presence of DTT, EDTA, PMSF, β-mercaptoethanol and high concentrations of salt. The enzyme was also highly activated by NaCl.

Conclusions

The biochemical characterization and homology model reveals a novel esterase originating from the marine Arctic metagenomics libraries with features of a cold-active, relatively thermostable and highly halotolerant enzyme. Taken together, these results suggest that this esterase could be a highly valuable candidate for biotechnological applications such as organic synthesis reactions and cheese ripening processes.

     

Yield of excited CO molecules from dissociative recombination of HCO+ and HOC+ ions with electrons

The authors have investigated CO band emissions arising from the dissociative recombination of HCO(+) and HOC(+) ions with thermal electrons in a flowing afterglow plasma. The quantitative analysis of the band intensities showed that HCO(+) recombination forms the long-lived CO(a (3)Pi) state with a yield of 0.23+/-0.12, while HOC(+) recombination favors formation of CO(a' (3)Sigma(+)) and CO(d (3)Delta) with a combined yield of greater than 0.4. The observed vibrational distribution for the CO(a) state reproduces theoretical predictions quite well. The vibrational distributions for CO(a') and CO(d) are, in part, inverted, presumably as a consequence of a change in CO equilibrium bond length during recombination. The observations are compatible with current knowledge of the potential surfaces of states of HCO and HCO(+).     

High-Throughput Robotic Synthesis and Photoluminescence Characterization of Aqueous Multinary Copper–Silver Indium Chalcogenide Quantum Dots

The feasibility of a high-throughput robot-assisted synthesis of complex Cu_1-xAg_xInS_ySe_1-x (CAISSe) quantum dots (QDs) by spontaneous alloying of aqueous glutathione-capped Ag–In–S, Cu–In–S, Ag–In–Se, and Cu–In–Se QDs is demonstrated. Both colloidal and thin-film core CAISSe and core/shell CAISSe/ZnS QDs are produced and studied by high-throughput semiautomated photoluminescence (PL) spectroscopy. The silver-copper-mixed QDs reveal clear evidence of a band bowing effect in the PL spectra and higher average PL lifetimes compared to the counterparts containing silver or copper only. The photophysical analysis of CAISSe and CAISSe/ZnS QDs indicates a composition-dependent character of the nonradiative recombination in QDs. The rate of this process is found to be lower for mixed copper-silver-based QDs compared to Cu- or Ag-only QDs. The combination of the band bowing effect and the suppressed nonradiative recombination of CAISSe QDs is beneficial for their applications in photovoltaics and photochemistry. The synergy of high-throughput robotic synthesis and a high-throughput characterization in this study is expected to grow into a self-learning synthetic platform for the production of metal chalcogenide QDs for light-harvesting, light-sensing, and light-emitting applications.     

Ag(I)/V(V) Heterobimetallic Frameworks Generated from Novel-Type {Ag(2)(VO(2)F(2))(2)(triazole)(4)} Secondary Building Blocks: A New Aspect in the Design of SVOF Hybrids

A series of new silver(I)-containing MOFs [Ag(2)(tr(2)ad)(2)](ClO(4))(2) (1), [Ag(2)(VO(2)F(2))(2)(tr(2)ad)(2)]·H(2)O (2), [Ag(2)(VO(2)F(2))(2)(tr(2)eth)(2)(H(2)O)(2)] (3), and [Ag(2)(VO(2)F(2))(2)(tr(2)cy)(2)]·4H(2)O (4) supported by 4-substituted bifunctional 1,2,4-triazole ligands (tr(2)ad = 1,3-bis(1,2,4-triazol-4-yl)adamantane, tr(2)eth = 1,2-bis(1,2,4-triazol-4-yl)ethane, tr(2)cy = trans-1,4-bis(1,2,4-triazol-4-yl)cyclohexane) were hydrothermally synthesized and structurally characterized. In these complexes, the triazole heterocycle as an N(1),N(2)-bridge links either two adjacent Ag-Ag or Ag-V centers at short distances forming polynuclear clusters. The crystal structure of compound 1 is based on cationic {Ag(2)(tr)(4)}(2+) fragments connected in a 2D rhombohedral grid network with (4,4) topology. The neighboring layers are tightly packed into a 3D array by means of argentophilic interactions (Ag···Ag 3.28 ?). Bridging between different metal atoms through the triazole groups assists formation of heterobimetallic Ag(I)/V(V) secondary building blocks in a linear V-Ag-Ag-V sequence that is observed in complexes 2-4. These unprecedented tetranuclear {Ag(2)(VO(2)F(2))(2)(tr)(4)} units (the intermetal Ag-Ag and Ag-V distances are 4.24-4.36 and 3.74-3.81 ?, respectively), in which vanadium(V) oxofluoride units possess distorted trigonal bipyramidal environment {VO(2)F(2)N}ˉ, are incorporated into 1D ribbon (2) or 2D square nets (3, 4) using bitopic μ(4)-triazole ligands. The valence bond calculation for vanadium atoms shows +V oxidation state in the corresponding compounds. Thermal stability and photoluminescence properties were studied for all reported coordination polymers.     

Partitioning of atmospheric carbon dioxide over Central Europe: insights from combined measurements of CO2 mixing ratios and their carbon isotope composition

Regular measurements of atmospheric CO (2) mixing ratios and their carbon isotope composition ((13)C/(12)C and (14)C/(12)C ratios) performed between 2005 and 2009 at two sites of contrasting characteristics (Krakow and the remote mountain site Kasprowy Wierch) located in southern Poland were used to derive fossil fuel-related and biogenic contributions to the total CO (2) load measured at both sites. Carbon dioxide present in the atmosphere, not coming from fossil fuel and biogenic sources, was considered 'background' CO (2). In Krakow, the average contribution of fossil fuel CO (2) was approximately 3.4%. The biogenic component was of the same magnitude. Both components revealed a distinct seasonality, with the fossil fuel component reaching maximum values during winter months and the biogenic component shifted in phase by approximately 6 months. The partitioning of the local CO (2) budget for the Kasprowy Wierch site revealed large differences in the derived components: the fossil fuel component was approximately five times lower than that derived for Krakow, whereas the biogenic component was negative in summer, pointing to the importance of photosynthetic sink associated with extensive forests in the neighbourhood of the station. While the presented study has demonstrated the strength of combined measurements of CO (2) mixing ratios and their carbon isotope signature as efficient tools for elucidating the partitioning of local atmospheric CO (2) loads, it also showed the important role of the land cover and the presence of the soil in the footprint of the measurement location, which control the net biogenic surface CO (2) fluxes.     

Quantum yield of Eu2+ emission in (Ca1−xSrx)S:Eu light emitting diode converter at 20–420 K

A series of red-emitting light converters Ca_1?xSr_xS:Eu²⁺, with tunable composition-dependent emission maxima were synthesized and characterized concerning their photoluminescent (PL) properties. X-ray diffraction patterns, photoluminescence spectra, luminosities and quantum yields were compared for phosphors with strontium concentrations varying from 0 to 100%. The maxima wavelength of emission shifts from 663 down to 619 nm, originating from the dependence of Eu²⁺ 5d state energy on the surrounding crystal field. Upon increasing the temperature from 20 to 420 K, a broadening of emission spectra along with thermal quenching of emission intensity and quantum yield occurs. Satisfying PL properties and their thermal stability demonstrate that the phosphors could be used as light converters in light emitting diodes (LEDs).     

Bifurcation analysis of 4-axle rail vehicle models in a curved track

The dynamics of a diffusive predator–prey model with time delay and Michaelis–Menten-type harvesting subject to Neumann boundary condition is considered. Turing instability and Hopf bifurcation at positive equilibrium for the system without delay are investigated. Time delay-induced instability and Hopf bifurcation are also discussed. By the theory of normal form and center manifold, conditions for determining the bifurcation direction and the stability of bifurcating periodic solution are derived. Some numerical simulations are carried out for illustrating the theoretical results.     

Über die Condensation des Benzaldehyds mit Acetessigester mittelst aromatischer Amine

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