Local atomic structures of single-component metallic glasses

In this study we examine the structural properties of single-component metallic glasses of aluminum. We use a molecular dynamics simulation based on semi-empirical many-body potential, derived from the embedded atom method (EAM). The radial distribution function (RDF), common neighbors analysis method (CNA), coordination number analysis (CN) and Voronoi tessellation are used to characterize the metal’s local structure during the heating and cooling (quenching). The simulation results reveal that the melting temperature depends on the heating rate. In addition, atomic visualization shows that the structure of aluminum after fast quenching is in a glassy state, confirmed quantitatively by the splitting of the second peak of the radial distribution function, and by the appearance of icosahedral clusters observed via CNA technique. On the other hand, the Wendt-Abraham parameters are calculated to determine the glass transition temperature (T_g), which depends strongly on the cooling rate; it increases while the cooling rate increases. On the basis of CN analysis and Voronoi tessellation, we demonstrate that the transition from the Al liquid to glassy state is mainly due to the formation of distorted and perfect icosahedral clusters.     

Performance characteristics of an ion chromatographic method for the quantitation of citrate and phosphate in pharmaceutical solutions

The performance of an ion chromatographic method for measuring citrate and phosphate in pharmaceutical solutions is evaluated. Performance characteristics examined include accuracy, precision, specificity, response linearity, robustness, and the ability to meet system suitability criteria. In general, the method is found to be robust within reasonable deviations from its specified operating conditions. Analytical accuracy is typically 100 +/- 3%, and short-term precision is not more than 1.5% relative standard deviation. The instrument response is linear over a range of 50% to 150% of the standard preparation target concentrations (12 mg/L for phosphate and 20 mg/L for citrate), and the results obtained using a single-point standard versus a calibration curve are essentially equivalent. A small analytical bias is observed and ascribed to the relative purity of the differing salts, used as raw materials in tested finished products and as reference standards in the analytical method. The assay is specific in that no phosphate or citrate peaks are observed in a variety of method-related solutions and matrix blanks (with and without autoclaving). The assay with manual preparation of the eluents is sensitive to the composition of the eluent in the sense that the eluent must be effectively degassed and protected from CO(2) ingress during use. In order for the assay to perform effectively, extensive system equilibration and conditioning is required. However, a properly conditioned and equilibrated system can be used to test a number of samples via chromatographic runs that include many (> 50) injections.     

Formation and Structural Characterization of Metal Complexes derived from Thiosalicylic Acid

The formation and structural aspects of some metal complexes of thiosalicylic acid (TSA) were studied. The μ‐bridging tetra‐coordinated Ru complex, [Ru(C₆H₄(CO₂)(μ‐S)(H₂O)]₂ ( 1 ) was formed by hydrothermal reaction of TSA with RuCl₃. The complexes [M(dtdb)(phen)(H₂O)]_n ( 2 – 4 ) (M = Zn^II, Co^II, Ni^II, dtdb = 2,2′‐dithiodibenzoate anion, phen = 1,10‐phenanthroline) were obtained by the slow diffusion technique and the in situ S–S bond formation was confirmed by elemental, spectral and X‐ray analysis. Reaction of TSA with CuCl₂ and 2,2′‐bipyridine (bipy) under the slow diffusion technique yielded the dimer [Cu(tdb)(bipy)] ( 5 ) (tdb = thiodibenzoic acid), where the in situ generation of 2,2′‐thiodibenzoic acid was observed.     

Effective Dynamics for a Kinetic Monte–Carlo Model with Slow and Fast Time Scales

We consider several multiscale-in-time kinetic Monte Carlo models, in which some variables evolve on a fast time scale, while the others evolve on a slow time scale. In the first two models we consider, a particle evolves in a one-dimensional potential energy landscape which has some small and some large barriers, the latter dividing the state space into metastable regions. In the limit of infinitely large barriers, we identify the effective dynamics between these macro-states, and prove the convergence of the process towards a kinetic Monte Carlo model. We next consider a third model, which consists of a system of two particles. The state of each particle evolves on a fast time-scale while conserving their respective energy. In addition, the particles can exchange energy on a slow time scale. Considering the energy of the first particle, we identify its effective dynamics in the limit of asymptotically small ratio between the characteristic times of the fast and the slow dynamics. For all models, our results are illustrated by representative numerical simulations.     

Analogues of Miyachi, cowling-price and Morgan theorems for compact extensions of ℝ n

Let K be a compact subgroup of automorphisms of ? ⁿ . We formulate and prove an analogue of Miyachi’s theorem for the semi-direct product K ? ? ⁿ . This allows us to solve the sharpness problems in the theorem of Cowling-Price and in the L ^p ? L ^q analogue of Morgan theorem for any compact extension of ? ⁿ . These upshots are proved using the representations theory and the Plancherel formula for the group Fourier transform.     

Periodicity of pricing and marketing efforts in a distribution channel

Most research about cooperative (coop) advertising programs in channels relies on the assumption that manufacturers and retailers decide of pricing and marketing efforts simultaneously. This paper evaluates this central assumption and investigates the optimal periodicity (sequence of move) of pricing and marketing efforts (ME) decisions for a distribution channel. We develop a game theoretic model that accounts for pricing at each level of the channel, for the manufacturer’s ME mix strategies (a direct ME to consumers and coop advertising program offered to the retailer) and the retailer’s ME as well. We obtain solutions for a bilateral channel under different vertical interaction scenarios; when the channel is led by the manufacturer, the retailer or when channel members decide simultaneously of each of their marketing mix decisions (vertical Nash). We compare the effect of pricing and ME decision periodicity on outputs for each channel member. The main findings suggest that simultaneous decision-making of pricing and ME is optimal only for high enough levels of the manufacturer’s ME effects. For very highly effective marketing efforts, sequential play of pricing and ME allows channel members to implement equilibrium strategies and achieve maximum profits that would not be achieved with simultaneous decision-making. This highlights the importance of relaxing the simultaneous play assumption of pricing and ME in a distribution channel.     

A dynamic model for advertising and pricing competition between national and store brands

We study the relationship between the pricing and advertising decisions in a channel where a national brand is competing with a private label. We consider a differential game that incorporates the carryover effects of brand advertising over time for both the manufacturer and the retailer and we account for the complementary and competitive roles of advertising. Analysis of the obtained equilibrium Markov strategies shows that the relationship between advertising and pricing decisions in the channel depends mainly on the nature of the advertising effects. In particular, the manufacturer reacts to higher competitive retailer’s advertising levels by offering price concessions and limiting his advertising expenditures. The retailer’s optimal reaction to competitive advertising effects in the channel depends on two factors: (1) the price competition level between the store and the national brands and (2) the strength of the competitive advertising effects. For example, in case of intense price competition between the two brands combined with a strong manufacturer’s competitive advertising effect, the retailer should lower both the store and the national brands’ prices as a reaction to higher manufacturer’s advertising levels. For the retailer, the main advantage from boosting his competitive advertising investments seems to be driven by increased revenues from the private label. The retailer should however limit his investments in advertising if the latter generates considerable competitive effects on the national brand’s sales.     

Synthesis and characterization of a tetramethyl furanone functionalized diiminedioxime,a potential ligand for Cu radiopharmaceuticals,and its copper(II) and nickel(II) complexes

As part of our on-going effort to develop ⁶⁴Cu-based radiopharmaceuticals for PET (positron emission tomography) imaging of multidrug resistance in cancer, we prepared a tetramethylfuranone-functionalized diiminedioxime ligand, TMFPreH (TMFPreH = 4-[3-(4-hydroxyimino-2,2,5,5-dimethyl-dihydro-furan-3-ylideneamino)-propylimino]-2,2,5,5-tetramethyl-dihydrofuran-3(2H)-one oxime) and its Cu(II) and Ni(II) complexes. When the copper(II) complex was prepared from Cu(ClO₄)₂ in ethanol, it was isolated as a Cu(II)-bridged dimer, but when it was prepared from Cu(OAc)₂ and heated in acetone, an unusual example of an acetone adduct of the ligand is formed by reduction of one of the imine double bonds by the solvent. The Ni(II) complex is square pyramidal with the perchlorate counterion at the apex.