Effect of alumina additions in YSZ on the microstructure and degradation of the LSM–YSZ interface

The cathode–electrolyte interface in a solid oxide fuel cell is examined to understand why premature delamination is observed in alumina substituted YSZ electrolyte. From XRD, SEM and TEM observations it was concluded that after high temperature sintering a tetragonal (Mn,Al)₃O₄ forms at the interface, which during prolonged fuel cell operation forms a cubic (Mn,Al)₃O₄ phase. This transformation is associated with volume decrease creating voids which ultimately weaken the cathode–electrolyte interface sufficiently for the cathode layer to delaminate off the YSZ–Al₂O₃ electrolyte.     

Sub-optimal Hankel norm approximation for the analytic class of infinite-dimensional systems

The sub-optimal Hankel norm approximation problem is solved under the assumptions that the system is given in terms of a triple of operators (–A, B, C), where–A is the infinitesimal generator of an exponentially stable, analytic semigroup on the Hilbert spaceZ,B L ( ^m ,Z where –1<0,C L is obtained in terms of the system parameters–A, B, C. (Z, ^p ), and the system is approximately controllable. An explicit parameterization of all solutions     

The T1←S0 Absorption Spectrum of Gaseous 4H-Pyran-4-thione

The T₁←S₀ absorption spectrum of 4H-pyran-4-thione (PT) was measured in a static cell at room temperature (550-620 nm) and in a seeded cold supersonic jet (580-600 nm) using the cavity ring-down (CRD) method. In the static cell absolute extinction coefficients were determined between 573 and 610 nm with an accuracy of ∼±5%. In this region 22 harmonic sequences and 18 hot bands were observed. The energetically lowest ground state vibration at 167.5 cm⁻¹ was identified as the promoting mode in the static PT gas. The mode in the triplet state was found at 152.3 cm⁻¹. The CRD absorption spectra of static PT gas and jet-cooled PT are compared with the phosphorescence excitation spectrum of isolated PT. The weak S_{1, 0}←S_{0, 0} absorption was tentatively assigned to a transition at ∼17433 cm⁻¹.     

Reversed-phase poly(styrene-divinylbenzene) materials optimised for large scale preparative and process purification of synthetic peptides and recombinant proteins

Rigid macroporous copolymers of styrene and divinylbenzene have been designed for large-scale preparative and process-scale purification of synthetic peptides and recombinant proteins. The polymeric particles are mechanically stable and hence able to operate at the required high linear velocities. The pore size and pore morphology has been optimised to enable unhindered solute diffusion whilst providing maximum available surface area to enhance loading capacity. A 100 A pore size has been developed for synthetic peptides and a 300 A pore size for recombinant proteins. Precise control of particle size, within the range 10 to 20 microm, is possible which together with the very narrow particle size distribution enables maximum resolution/loading to be obtained within the pressure limits of the instrumentation being used. The chemical stability of the polymer enables cleaning in place with 1 M sodium hydroxide without particle dissolution or a deterioration in selectivity. These materials can be packed into compression hardware and are manufactured as single lots up to 100 kg (300 l) batch size.     

Novel acid-catalyzed rearrangement of tetrahydro-1,2,3,4-tetrazines: unexpected formation of glycosazones

The present contribution discloses a simple and unexpected acid-catalyzed cleavage of tetrahydrotetrazines leading to 1,2-bis(hydrazones). Incorporation of a chiral fragment derived from carbohydrates enables the rapid preparation of glycosazones, a family of compounds employed by Emil Fischer to elucidate the configuration of sugars. In addition, a mechanistic proposal accounts for experimental observations.     

Cationic beta-cyclodextrin bilayer vesicles

Cationic amphiphilic beta-cyclodextrins, substituted with hydrophobic n-alkylthio chains at the primary hydroxyl side and hydrophilic omega-amino-oligo(ethylene glycol) units at the secondary side, form bilayer vesicles with a diameter of 30-35 nm (when alkyl = hexadecyl) or nanoparticles with a diameter of ca. 120 nm (when alkyl = hexyl) in water.     

Gas chromatography/sniffing port analysis of aroma compounds released under mouth conditions

The release of aroma compounds from rehydrated French beans in an artificial mouth system and in the mouths of 12 assessors was studied by gas chromatography combined with flame ionisation detection and sniffing port detection. In an artificial mouth system, volatile compounds were isolated under mouth conditions, such as temperature, salivation, and mastication. No significant differences were determined between the aroma release from the beans in the artificial mouth and release in the mouths of assessors. However, both the real and artificial mouth systems differed significantly from a purge-and-trap and a dynamic headspace system in aroma release. In order to study aroma release over time, volatile compounds were isolated from rehydrated French beans for 1, 1.5, 3 and 12 min in the artificial mouth system and analysed by gas chromatography/sniffing port analysis. 2-Methylpropanal, 2-/3-methylbutanal, hexanal, 2-methyl-2-butenal, 1-octen-3-one, and dimethyl trisulphide possessed detectable odours when isolated from the French beans in the artificial mouth for all time periods. The odour active compounds 2-/3-methylbutanal and hexanal were shown to be released at a constant rate. Different sampling times resulted in identical selections of aroma compounds, while mutual proportions were retained.     

Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

Summary AutoDock 2.4 predicts the bound conformations of a small, flexible ligand to a nonflexible macromolecular target of known structure. The technique combines simulated annealing for conformation searching with a rapid grid-based method of energy evaluation based on the AMBER force field. AutoDock has been optimized in performance without sacrificing accuracy; it incorporates many enhancements and additions, including an intuitive interface. We have developed a set of tools for launching and analyzing many independent docking jobs in parallel on a heterogeneous network of UNIX-based workstations. This paper describes the current release, and the results of a suite of diverse test systems. We also present the results of a systematic investigation into the effects of varying simulated-annealing parameters on molecular docking. We show that even for ligands with a large number of degrees of freedom, root-mean-square deviations of less than 1 Å from the crystallographic conformation are obtained for the lowest-energy dockings, although fewer dockings find the crystallographic conformation when there are more degrees of freedom.The AutoDock 2.4 suite is written in ANSI C, and is supplied with Makefiles for the following platforms: Convex, DEC Alpha OSF/1, Hewlett-Packard Precision Architecture, Silicon Graphics, and Sun. The AutoDock suite of programs is freely available to the noncommercial scientific community and to educational establishments. Further information, including additional figures and MPEG animations showing all docked conformations for each test system, can be found at the following URL: http://www.scripps.edu/pub/olson-web/doc/autodock.     

The crystal and molecular structure of 3,3,6,6-tetramethyl-s-tetrathiane, ((CH3)2CS2]2,

The X-ray crystal structure of 3,3,6,6-tetramethyl-s-tetrathiane (“duplodithioacetone”) confirms earlier nmr studies predicting the molecule to adopt a twist-boat conformation.