Complete characterization of an (Sb2O3)n/SWNT inclusion composite

The detailed inclusion crystallography of a one-dimensional valentinite Sb₂O₃ crystal incorporated within a helical (21, ?8) single-walled carbon nanotube (SWNT) was identified from a phase image that was recovered via a modified object wave restoration scheme. A detailed analysis of asymmetric fringe contrast in the tube walls provided strong evidence for the chiral sense of the tube itself. Due to the good agreement of the observed wall periodicity with the determined absolute focus values and power spectra obtained from single-pixel line traces along both tube walls, we were able to determine the chiral sense of the SWNT and the tilt angle of the Sb₂O₃/SWNT composite relative to the electron beam. The angle between the optimum $\left\langle {10\bar 1} \right\rangle $ viewing direction of the crystal fraction and the tube axis, which is aligned with the $\left\langle {4\bar 12} \right\rangle $ direction of the Sb₂O₃ crystal, is 78.3°. Since small deviations from this viewing direction make an insignificant difference to the observed contrast, a tube inclination of 15° is plausible for both the Sb₂O₃ crystal and the assigned (21, ?8) SWNT, which is the mirror image of a (13, 8) SWNT.     

Prediction of biological activity for high-throughput screening using binary kernel discrimination

High-throughput screening has made a significant impact on drug discovery, but there is an acknowledged need for quantitative methods to analyze screening results and predict the activity of further compounds. In this paper we introduce one such method, binary kernel discrimination, and investigate its performance on two datasets; the first is a set of 1650 monoamine oxidase inhibitors, and the second a set of 101 437 compounds from an in-house enzyme assay. We compare the performance of binary kernel discrimination with a simple procedure which we call "merged similarity search", and also with a feedforward neural network. Binary kernel discrimination is shown to perform robustly with varying quantities of training data and also in the presence of noisy data. We conclude by highlighting the importance of the judicious use of general pattern recognition techniques for compound selection.     

The preparation of organically functionalized chromium and nickel nanoparticles

Nanoparticles of chromium or nickel have been prepared by the reduction of either CrCl2 or Ni(acac)2 (acac = pentane-2,4-dionate) at elevated temperatures in various Lewis base solvents; the effect of the Lewis base, which acts as both a reaction solvent and passivating ligand on morphology are apparent; the nanostructures have been analysed by NMR, IR, TEM and XRD.     

On the Affine Temperley-Lieb Algebras

The paper describes the cell structure of the affine Temperley–Liebalgebra with respect to a monomial basis. A diagram calculusis constructed for this algebra.     

Discrete Series Characters for GL(n, q)

The discrete series characters of the finite general linear group GL(n, q) are expressed as uniquely defined integral linear combinations of characters induced from linear characters on certain subgroups Hd, n of GL(n, q). The coefficients in these linear combinations are determined (for all n, q) by a family of polynomials r(T) Z[T] indexed by the set of all partitions .