Solid argon : Monte Carlo calculations along the solid-vapour coexistence curve

Thermodynamic properties and elastic constants of solid argon have been calculated using an accurate pair-potential together with the Monte Carlo method and the Axilrod-Teller three-body potential. Excellent agreement is obtained with experimental values of the pressure and internal energy. However the calculated elastic constants show systematic deviations from the experimental values. These discrepancies are examined in some detail and possible reasons for them are given.     

Infrared and Raman investigation of the charge–density-wave state in rare-earth tri-telluride compounds

We summarize our recent efforts in investigating the charge–density-wave (CDW) state of the rare-earth tri-tellurides RTe₃ by means of infrared and Raman techniques. We identify the CDW gap, as order parameter of the broken-symmetry ground state, as well as the collective mode of the CDW condensate.     

Urease adsorption and activity on magnetite nanoparticles functionalized with monofunctional and bifunctional surface layers

The surface of magnetite nanoparticles was coated with functional polysiloxane layers using reaction of hydrolytic copolycondensation of tetraethoxysilane and 3-aminopropyltriethoxysilane (or N-[3-trimethoxysilylpropyl]ethylendiamine), and also that of tetraethoxysilane, 3-aminopropyltriethoxysilane and methyltriethoxysilane (or n-propyltriethoxysilane). It was shown that these functionalized magnetically controllable particles (about 60–150 nm in size as aggregates), as opposed to magnetite, adsorb urease well from aqueous solutions (up to 1 g/g), and that the level of residual activity of adsorbed layers is up to 84 % in the case of a bifunctional sample. It was established that the activity of immobilized urease is normally gradually reduced during storage of the samples, but in the case of ethylenediamine functional group is not decreased for 45 days. The synthesized samples are promising for use as magnetically directed biocatalysts.     

Synthesis of Diels–Alder adducts of the quinolizidine alkaloids N-methylcytisine, (−)-leontidine,and (−)-thermopsine with N-phenylmaleimide

The Diels–Alder adducts of the quinolizidine alkaloids N-methylcytisine, (?)-leontidine, and (?)-thermopsine with N-phenylmaleimide have been synthesized. The structures and absolute configurations of the new asymmetric centers of the products were determined by NMR spectroscopy experiments, QC-calculations, and X-ray data.     

Optical limiting of high-repetition-rate laser pulses by carbon nanofibers suspended in polydimethylsiloxane

The mechanism of optical unidirectional (OUD) transmission in parallel subwavelength dual-metal gratings was investigated. It was found that this kind of OUD phenomenon originates from the coupling of the surface plasmon polaritons (SPPs) between the front grating and a layer of metal film which replaces the rear grating. The higher the intensity of the coupled SPPs at the entrances of the rear grating, the higher the transmittance can be achieved. Basing on this property, an effective OUD example was achieved by exploring the intensity difference at the entrances of the rear gratings between the two incidences of opposite directions. In this kind of OUD, the positive transmittance can exceed 80 % and the difference between the transmittances of the two opposite directions can be as large as 63 %. The detailed design process was also presented.