Increasing the B/N ratio in boron nitride nanoribbons,a possible approach to dilute magnetic semiconductors

Density functional theory (DFT) employing the local spin density approximation and including correlation functionals is used to show that increasing the boron content relative to the nitrogen content in boron nitride nanoribbons can significantly reduce the band gap making the ribbons semiconducting. Armchair ribbons, but not zigzag ribbons, having excess borons are predicted to have a more stable optimized triplet structure than the optimized singlet structure. The triplet structure is predicted to have a higher density of states at the top of the valence band near Fermi level for the spin down state indicating it could be a ferromagnetic semiconductor. The results suggest a possible new approach to developing ferromagnetic semiconductors.     

Electrochemical oxidation of 9-methylxanthine

The electrochemical oxidation of 9-methylxanthine proceeds via four voltammetric oxidation peaks at the pyrolytic graphite electrode. The first voltammetric oxidation peak (peak I_a) is a 1e reaction giving a radical which dimerizes to 8,8′-bi-9-methyl-9H-purine-2,6-(1H, 3H)-dione. Peak II_a is a further 2e electrooxidation of the peak I_a dimer to another yellow dimer 8,8′-bi-9-methyl-9H-purine-2,6-(1H)-dione-3,5-(3H)-diiminylidene. This dimer is not very stable and it hydrolyzes to 1-methyl allantoin. Peak III_a is an adsorption pre-peak to peak IV_a which corresponds, overall, to a direct 4e?4H⁺ electrooxidation of 9-methylxanthine to an unstable diimine of 9-methyluric acid. Hydrolysis of this diimine leads to a variety of ultimate products.     

The two-body photodisintegration of 3He

The differential cross section for the reaction ³He(γ,d)¹¹H has been measured for proton energies 11–65 MeV. The results are compared with previous measurements and with a recent theoretical calculation.     

Polymerizable derivatives of long-chain fatty acids. IV. Vinyl esters

Contrary to some published reports, the vinyl esters of saturated fatty acids polymerize readily and rapidly. Vinyl oleate, when present in excess of 5%, and oxygen exert marked retarding effects. Techniques are described for the free-radical-initiated polymerization of the vinyl esters of caprylic, capric, lauric, myristic, palmitic, and stearic acids in bulk, dispersion, solution, and emulsion. Some data are given for polymerization in the presence of chain-transfer agents, such as carbon tetrachloride, dodecylmercaptan, and ethylbenzene. Conditions are reported for obtaining degrees of polymerization from about 2 (when chain-transfer agents are employed) to 10,000 (weight average). The weight average degree of polymerization increases markedly as the conversion increases, particularly above 80%. Even up to extremely high conversions, soluble polymers are obtained in most cases. Solubility characteristics, transition point data, molecular weights (osmometric and light-scattering), and isolation and purification techniques are also reported.     

The development of novel organically modified sol-gel media for use with ATR/FTIR sensing

The ability to prepare and develop novel pre-concentration media by the sol-gel process, and their integration with mid-infrared transparent waveguides has been demonstrated. This research approach resulted in a mid-infrared sensing methodology in which the properties (porosity, functionality, polarity, etc.) of the recognition layer could be tailored by variation of the sol-gel precursors and processing conditions. Cross-linker type and concentration notably influenced p-xylene absorption and diffusion rate. Unreacted silanol groups appeared to be the dominant factor in the hydrophobicity of sol-gel layers. Variation of sol-gel precursors and thermal treatment altered both film cross-link density and polarity, as demonstrated by variation in the rate of analyte diffusion and equilibrium analyte concentration. The use of a novel 1 : 1 PTMOS : DPDMS material as pre-concentration medium in this analytical sensing approach was validated through the determination of p-nitrochlorobenzene in an aqueous environment. The response demonstrated linearity between 0-30 mg L(-1) with a correlation coefficient of 0.989 and a limit of detection of 0.7 mg L(-1). Sensing times for p-nitrochlorobenzene were also reduced from several hours to 24 minutes, without loss of measurement accuracy or sensitivity, by a 10 degrees C increase in the sensing temperature and the use of a predictive Fickian model previously developed by this research group.     

Differentiated service delivery in cooperative IP-based broadcast and mobile telecommunications networks

Email: angelo.centonza{at}brunel.ac.uk Corresponding author. Email: thomas.owens{at}brunel.ac.uk Email: john.cosmas{at}brunel.ac.uk^¶ Email: y.h.song{at}brunel.ac.uk Received on 26 November 2005. Accepted on 20 March 2007. The evolution of wireless systems has led recently to the deploymentof cooperative network infrastructures where networks basedon different technologies cooperate together to offer innovativeservices which the networks individually could not offer. Cooperativenetwork infrastructures are hybrid systems. Examples of hybridsystems are already in use in areas as diverse power systemsand locomotion systems. It is very important to apply efficientsystem management techniques to hybrid systems that produceadvantageous business case scenarios for each participatingsystem and efficient use of the available resources. In thispaper, scenarios are investigated where cooperation betweenan integrated project (IP)-based broadcast network and an IP-basedmobile telecommunications network has the potential to allowservices to be provided to mobile users which would not be economicalto offer over either an IP-based broadcast network or an IP-basedmobile telecommunications network alone. The paper presentsa novel technique for determining which network to use to deliversuch services at a given point in time. The application of thistechnique in appropriate scenarios has the potential to generateadditional income for both the IP-based broadcast network operatorand the IP-based mobile telecommunications network operatorin an infrastructure where the operators cooperate to offerinnovative services. The paper explains the construction ofutility functions for cooperative IP-based broadcast and mobiletelecommunications networks. These utility functions are thenused to provide results that enable the efficiency of the managementof the network to be assessed in terms of the utility volumegenerated by the innovative services provided.     

The Implications of (2S,4S)‐Hydroxyproline 4‐O‐Glycosylation for Prolyl Amide Isomerization

The conformations of peptides and proteins are often influenced by glycans O‐linked to serine (Ser) or threonine (Thr). (2S,4R)‐4‐Hydroxyproline (Hyp), together with L ‐proline (Pro), are interesting targets for O‐glycosylation because they have a unique influence on peptide and protein conformation. In previous work we found that glycosylation of Hyp does not affect the N‐terminal amide trans/cis ratios (K_trans/cis) or the rates of amide isomerization in model amides. The stereoisomer of Hyp—(2S,4S)‐4‐hydroxyproline (hyp)—is rarely found in nature, and has a different influence both on the conformation of the pyrrolidine ring and on K_trans/cis. Glycans attached to hyp would be expected to be projected from the opposite face of the prolyl side chain relative to Hyp; the impact this would have on K_trans/cis was unknown. Measurements of ³J coupling constants indicate that the glycan has little impact on the C^γ‐endo conformation produced by hyp. As a result, it was found that the D ‐galactose residue extending from a C^γ‐endo pucker affects both K_trans/cis and the rate of isomerization, which is not found to occur when it is projected from a C^γ‐exo pucker; this reflects the different environments delineated by the proline side chain. The enthalpic contributions to the stabilization of the trans amide isomer may be due to disruption of intramolecular interactions present in hyp; the change in enthalpy is balanced by a decrease in entropy incurred upon glycosylation. Because the different stereoisomers—Hyp and hyp—project the O‐linked carbohydrates in opposite spatial orientations, these glycosylated amino acids may be useful for understanding of how the projection of a glycan from the peptide or protein backbone exerts its influence.     

A method to improve the quality of silica nanoparticles (SNPs) over increasing storage durations

The solvent varying technique (SVT) provides a simple method for the production of uniform batches of silica nanoparticles (SNPs) of a target average diameter. SNPs synthesized using the SVT have been observed to agglomerate over increasing storage times leading to an increase in average particle diameter. Since the particle diameters of the SNPs produced using the SVT may vary over increasing storage durations, the previous model, suggested by Gao et al., which is based on the diameter of the original SNPs, is unreliable when predicting a target particle diameter using the initial volume of ethanol. A centrifuge and replacement of solvent method has been applied in this investigation to the SNP solutions created using the SV technique. This reduces the amount of unused reactants in the centrifuged colloidal suspensions, which further improves the quality of the SNPs and hence any subsequent photonic crystals. Post centrifuge and replace, the morphology of the centrifuged particles is more uniform than that of the original particles, which has been evaluated using SEM micrographs. The face-centered cubic (FCC) structures observed on the surface of the photonic crystal films have also been imaged using a SEM. A linear equation for the prediction of the SNP diameters for a given initial amount of ethanol is proposed based on the centrifuged SNP diameters. The particle diameter measurements for the new equation were recorded using a DLS instrument. The dispersion of the SNPs was also recorded using DLS. The morphology of the surface of the particles has been confirmed using TEM micrographs.

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