A high temperature diffraction-resistance study of chalcopyrite, CuFeS2

The electrical, magnetic and structural properties of synthetic chalcopyrite, CuFeS₂, have been studied up to 873 K using DC resistance measurements performed in-situ during neutron powder diffraction experiments. Under ambient conditions the material adopts the accepted structural model for CuFeS₂ in the space group I4?2d, with the magnetic moment of the Fe³⁺ cations aligned along [001]. The electrical resistivity is around 0.3 Ω cm under ambient conditions, consistent with semiconductor character, and decreases slightly with increase in temperature until a more abrupt fall occurs in the region 750-800 K. This abrupt change in resistivity is accompanied by a structural transition to a cubic zinc blende structured phase (space group F4?3m) in which Cu⁺ and Fe³⁺ cations are disordered over the same tetrahedral crystallographic sites and by a simultaneous loss of long-range magnetic order. The implications of these results are discussed in the context of previous studies of the chalcopyrite system.     

Integration of mass spectrometry into early-phase discovery and development of central nervous system agents.

The early-phase discovery and development of useful central nervous system (CNS) agents present ample opportunities to exploit mass spectrometry and provide detailed compound/mixture characterization, or to make the process faster and/or more economic. Neuropeptide FF antagonists and centrally active thyrotropin-releasing hormone analogues were used as specific examples in this work. We evaluated the characterization of focused libraries of peptide derivatives by electrospray ionization, tandem mass spectrometry and liquid chromatography/tandem mass spectrometry on a quadrupole ion trap and nanoelectrospray on a Fourier transform ion cyclotron resonance mass spectrometer. Immobilized artificial-membrane chromatography was employed as a model to predict/rank new agents against lead compounds for their potential to reach the central nervous system in pharmacologically significant amounts. Measuring brain concentrations in rodents after the intravenous administration of test compounds was used as an in vivo approach, and we took advantage of microdialysis sampling that furnished samples without interfering tissue matrix and afforded the estimation of extracellular concentrations in a localized part of the brain. Overall, making atmospheric-pressure ionization mass spectrometry an integral part of the process has played a major role in increasing throughput, selectivity, specificity and detection sensitivity and thereby providing useful information about the extent or mechanism of transport and metabolic activation/inactivation in early-phase discovery and development of CNS agents.     

The sub-wavelength imaging performance of disordered wire media

An analysis of the sub-wavelength imaging performance of disordered thin wire media is undertaken, in order to understand how its performance may be affected by manufacturing errors. The structure is found to be extremely robust to disorder which keeps the wires parallel. Variation in the orientation of the wires and their longitudinal position causes more significant degradation in the image quality, which is quantified numerically.     

Ueber die Einwirkung einiger Agentien auf in der Natur vorkommende Carbonate

Ohne Zusammenfassung     

A comparative study of modeling and solution approaches for the coordinated lot-size problem with dynamic demand

In the coordinated lot-size problem, a major setup cost is incurred when at least one member of a product family is produced and a minor setup cost for each different item produced. This research consolidates the various modeling and algorithmic approaches reported in the literature for the coordinated replenishment problem with deterministic dynamic demand. For the two most effective approaches, we conducted extensive computational experiments investigating the quality of the lower bound associated with the model’s linear programming relaxation and the computational efficiency of the algorithmic approaches when used to find heuristic and optimal solutions. Our findings indicate the superiority of the plant location type problem formulation over the traditional approach that views the problem as multiple single-item Wagner and Whitin problems that are coupled by major setup costs. Broader implications of the research suggest that other classes of deterministic dynamic demand lot-size problems may also be more effectively modeled and solved by adapting plant location type models and algorithms.