Development of porous zirconia spheres by polymerization-induced colloid aggregation — effect of polymerization rate

Polymerization-induced colloid aggregation is used to synthesize spheres of narrow size distribution which are porous aggregates of ZrO₂ colloids. Variation of the reaction pH has been investigated to determine the optimum rate of polymerization of the urea-formaldehyde resin. At the optimum rate, a colloid packing structure is formed where a balance of high porosity and high strength of the aggregates is achieved. This optimum coincides with the maximum yield of the 5 m sintered (polymer-free) particles. Particles synthesized at pH values below the optimum are mechanically weak; some are hollow spheres. Variation of the pore structure, and thus colloid packing structure, is elucidated by nitrogen adsorption and apparent density measurements. Differences on either side of the optimum pH are related to the efficiency of polymer-bridge formation between colloids.     

Large-strain 3D-analysis of fibre-reinforced composites using rebar elements: hyperelastic formulations for cords

The well-known finite element representation of reinforcing bars by means of overlay (rebar) elements is recast in the context of finite strain analyses of cord-reinforced composite materials. The variational formulation including the linearized forms is presented on the basis of hyperelasticity. Three material laws including two variants of the Neo-Hooekean model and the quadratic logarithmic model are investigated. An explicit formulation for uniaxial stress states is given for the Neo-Hooekean model. A comparative evaluation with regards to computational efficiency and physical plausibility shows that the logarithmic model is optimally suited for this class of problems and for moderately large strains. The rebar-element concept in conjunction with an incompressible finite element formulation for the representation of a rubber matrix material is applied to comparative finite strain FE-analyses of a cord-reinforced rubber sandwich panel, with different hyperelastic models used for modelling of the ply material.     

Transport of the dicyanogold(i) anion

We have shown that dicyanogold(I), [Au(CN)(2)](-) is a common metabolite found in blood and urine samples of patients treated with different gold based drugs. Some patients have high levels of gold within their red blood cells (RBCs). Size exclusion and C18 reversed phase chromatography show that the majority of the gold in RBC lysates is bound to protein, but small molecules such as dicyanogold(I) and gold-glutathione complexes are also present. Dicyanogold incubation with red blood cells in vitro leads to a rapid and complete uptake of gold. This uptake is unaffected by DIDS, an inhibitor of the anion channel, but is blocked by the addition of external cyanide. Dicyanogold is also readily taken up by H9 cells, a continuous CD(4+) cell line. This uptake is significantly inhibited by N-ethylmaleimide, suggesting a requirement for sulfhydryl groups. Dicyanogold inhibits the replication of the AIDS virus, HIV, in a cell culture model.     

A method for rapidly assessing and refining simple solvent treatments in molecular modelling. Example studies on the antigen-combining loop H2 from FAB fragment McPC603

Different simple solvent models have been implemented in anextended simulated annealing process (ESAP), developed by Higoet al. [(1992) Biopolymers, 32, 33–43] and proven to beable to predict ab initio the conformation of the antigen-combiningloop H2 from FAB McPC603. Hie rationale used here provides auseful new method for testing solvent models in general. Thedifferent solvent models comprise a high dielectric constant,a screened coulomb potential, a dummy water model and a statisticalcontinuum treatment of the solvent effect in which the reactionfield and the solvent accessible area is accounted for. To assessthe effect of the solvent, we tested the ability of simulationsto retain the experimental conformation of loop H2. We comparedthe different structures obtained at the end of the annealingprocess in terms of root mean square deviation (r.m.s.d.), forboth the backbone and for all atoms, root mean square (r.m.s.)fluctuation, solvent accessible surface area (ASA), hydrogenbonding network and - plot distribution. The relationship betweenthe r.m.s.d. and the internal energy of a structure is alsoevaluated in terms of precision and another possible methodfor obtaining the best conformation is discussed. The accuracyof modelling the coarse effect of the solvent and the similaritiesof the resulting structures with respect to the X-ray referencestructure are examined. The possible choice of one of thesesolvent models in the structure determination of an unknownloop structure is discussed