LR-CAHSQC: an application of a Carr-Purcell-Meiboom-Gill-type sequence to heteronuclear multiple bond correlation spectroscopy

A new pulse sequence, long-range CPMG-adjusted heteronuclear single quantum coherence (LR-CAHSQC), is proposed for the determination of long-range JCH coupling constants from a long-range 1H-13C correlation experiment. The long-range heteronuclear coupling constants can be directly extracted from COSY-type antiphase peak patterns. The current approach utilizes CPMG-sequences for polarization transfer, and thus avoids the evolution of homonuclear JHH couplings, which normally may introduce abnormalities into the cross peak pattern. The differences between LR-CAHSQC and normal LR-HSQC are discussed.     

Peak dispersion and contributions to plate height in nonaqueous capillary electrophoresis at high electric field strengths: propanol as background electrolyte solvent

Peak dispersion effects in nonaqueous capillary electrophoretic separations of aromatic anionic analytes were investigated in a propanolic background electrolyte solution. Poly(glycidylmethacrylate-co-N-vinylpyrrolidone) coating was applied to the capillary to suppress the electroosmotic flow and to improve the repeatability of the migration times. Electrical field strengths up to 2000 Vcm(-1) were applied in separations and the separation efficiencies were compared with theoretical values calculated on the basis of plate height theory. The contributions to the total plate height were calculated for injection plug length, diffusion, Joule heating, electromigration dispersion, analyte adsorption to the capillary wall, and detector slit aperture length. Analyte diffusion coefficients were measured by Taylor dispersion method, while distribution constants were measured chromatographically. Agreement between the calculated and empirical results was fairly good even though some approximations were required. In most cases the longitudinal diffusion contribution governed the total plate height, while the contribution of Joule heating was insignificant even at exceptionally high field strengths used. The relatively long detection slit aperture was found to influence the separation efficiency strongly, while the other dispersion sources that were investigated were of minor importance, except for adsorption in the case of one analyte. With all analytes, the dispersive effect of longitudinal diffusion was reduced as the field strength was increased, leading to enhanced migration velocities and faster separations.     

The variational iteration method for solitary patterns solutions of gBBM equation

We consider solitary patterns solutions of generalized Benjamin–Bona–Mahony equations (shortly gBBM). The variational iteration method (shortly VIM) is applied for the numerical solution subject to appropriate initial condition. The numerical solutions of our model equation are calculated in the form of convergence power series with easily computable components. The VIM performs extremely well in terms of accuracy, efficiently, simplicity, stability and reliability.     

Measurement of Homonuclear J-Couplings from Spin-State Selective Double-/Zero-Quantum Two-Dimensional NMR Spectra

¹H-detected two-dimensional double-/zero-quantum experiments are described for measurement of homonuclear ²J_HH-couplings of NH₂ or CH₂ groups in proteins. These experiments utilize multiple-quantum coherence for determination of the size and the absolute sign of the geminal scalar and dipolar couplings in the presence of broad lines. Spectra are simplified by gradient selection and spin-state selective filters.     

Conversion of carbon dioxide to cyclic carbonates using diimine Ru(II) complexes as catalysts

Cationic diimine Ru(II) complexes were synthesized and tested as catalysts for the formation of cyclic organic carbonates from CO₂ and liquid epoxides (propylene oxide, epichlorohydrine, 1,2‐epoxybutane and styrene oxide) which served as both reactant and solvent. The reaction rates not only depended on the type of ligand, but also on reaction conditions such as temperature, pressure, base, the epoxide substrates and the use of an additional solvent. Reaction rates in terms of turnover frequencies up to 4050 mol_product mol_cat.^?1 h^?1 at 99% selectivity were achieved by optimizing the diimine ligand as well as the reaction temperature and CO₂ pressure. Consistent with CV measurements, the electron donating group on the p‐position of the aryl ring accelerated the reaction rate. Copyright © 2008 John Wiley & Sons, Ltd.     

Jet impingement onto a tapered hole: Influence of jet velocity and hole wall velocities on heat transfer and skin friction

Jet impingement onto a hole with elevated wall temperature can be associated with the high‐temperature thermal drilling, where the gas jet is used for shielding the hole wall from the high‐temperature oxidation reactions as observed in the case of laser drilling. In laser processing, the molten flow from the hole wall occurs; and in the model study, the hole wall velocity resembling the molten flow should be accounted for. In the present study, gas jet impingement onto tapered hole with elevated temperature is considered and the heat transfer rates as well as skin friction at the hole wall surface are predicted. The velocity of molten flow from the hole wall determined from the previous study is adopted in the simulations and the effect of hole wall velocity on the heat transfer rates and skin friction is also examined. It is found that the Nusselt number and skin friction at the hole wall in the regions of hole inlet and exit attain high values. The influence of hole wall velocity on the Nusselt number and skin friction is found not to be very significant. Copyright © 2008 John Wiley & Sons, Ltd.     

Copper(II) complex of 3-cinnamalideneacetylacetone: Synthesis and characterisation

A bidentate ligand derived from cinnamaldehyde and acetylacetone and its copper(II) complex have been synthesized and characterized by elemental analysis, UV-Vis, IR, ESR and magnetic susceptibility measurements. Magnetic susceptibility measurements, ESR and electronic spectral data indicate the presence of six coordinated Cu(II) ion. The ligand and complex are tested for antibacterial activity againstPseudomonas aeroginosa. They are found to show the antibacterial activity.