Structural models with qualitative values

In fields of study from cognition to organizations and social networks , empirical structures have been formally represented in terms of graph theoretical models. When the empirical relationships can be seen as valued, a valued graph or digraph is called for. Values have been conventionally identified with real numbers, but other sorts of entities (most often signs) have been used. In this paper, we demonstrate a general system under which graphs and digraphs with values that are not numbers may be used to represent various important properties and features of empirical structures. Special cases include multiplexity of relationships, formal and informal linkages in organizational structures, systems and their environments, and structural consistency principles. The general system incorporates a matrix methodology which permits the convenient analysis of empirical structures. These cases are also intended to exemplify the ways in which valued relational models may be developed to extend this kind of formalization and its methodology to other areas of substantive interest.     

A new model and a hyper-heuristic approach for two-dimensional shelf space allocation

In this paper, we propose a two-dimensional shelf space allocation model. The second dimension stems from the height of the shelf. This results in an integer nonlinear programming model with a complex form of objective function. We propose a multiple neighborhood approach which is a hybridization of a simulated annealing algorithm with a hyper-heuristic learning mechanism. Experiments based on empirical data from both real-world and artificial instances show that the shelf space utilization and the resulting sales can be greatly improved when compared with a gradient method. Sensitivity analysis on the input parameters and the shelf space show the benefits of the proposed algorithm both in sales and in robustness.     

Dynamic mechanical characterization of relaxations in poly(oxymethylene), miscible blends,and oriented filaments

Multifrequency dynamic mechanical analysis (DMA) data were obtained for molded poly(oxymethylene) (POM) and its blends from-150°C to 150°C. Because of the high crystallinity, the assignment of the glass transition in POM has been controversial in the literature. Low and high glass transition temperature (T _g) phenolated compounds, including poly(vinyl phenol), were found to be miscible with POM. The shift of the β transition in the POM blends favors an assignment of the β transition detected at ?3°C(1 Hz), not the ?80°C γ transition, as the T _g in semicrystalline POM because the latter is invariant with diluent. The peak at the β transition in pure POM is weak and can only be seen clearly by DMA measurements on samples that have not “aged” at ambient temperature. This is further evidence that the β transition arises from a cooperative glass-transition-like motion. The γ transition is not influenced by aging because it is due to a concerted localized main chain motion. The β transition of an oriented POM filament can be seen in the DMA flexural loss spectrum at-18°C (1 Hz), but not in a tensile loss spectrum. The broad a relaxation was detected at about 110°C (1 Hz) in molded POM and its blends, while it was shifted to about 135°C in the higher crystallinity, oriented system. The α peak is also independent of diluent, consistent with a crystalline origin for this transition, as was proposed earlier.     

Stereoselective synthesis of (S)-3-(methylamino)-3-((R)-pyrrolidin-3-yl)propanenitrile

(S)-3-(methylamino)-3-((R)-pyrrolidin-3-yl)propanenitrile (1) is a key intermediate in the preparation of PF-00951966, (1) a fluoroquinolone antibiotic for use against key pathogens causing community-acquired respiratory tract infections including multidrug resistant (MDR) organisms. The current work describes the development of a highly efficient and stereoselective synthesis of 1 in 10 steps with an overall yield of 24% from readily available benzyloxyacetyl chloride. Two key transformations in the synthetic sequence involve (a) catalytic asymmetric hydrogenation with chiral DM-SEGPHOS-Ru(II) complex to afford β-hydroxy amide 11b in good yield (73%) and high stereoselectivity (de 98%, ee >99%) after recrystallization and (b) S(N)2 substitution reaction with methylamine to provide diamine 14 with inversion of configuration at the 1'-position in high yield (80%), after efficient purification using a simple acid/base extraction protocol.     

A space-indexed formulation of packing boxes into a larger box

Current integer programming solvers fail to decide whether 12 unit cubes can be packed into a 1×1×11 box within an hour using the natural relaxation of Chen/Padberg. We present an alternative relaxation of the problem of packing boxes into a larger box, which makes it possible to solve much larger instances.     

Biosynthesis of gold nanoparticles using diatoms—silica-gold and EPS-gold bionanocomposite formation

Novel synthesis of gold nanoparticles, EPS-gold, and silica-gold bionanocomposites by biologically driven processes employing two diatom strains (Navicula atomus, Diadesmis gallica) is described. Transmission electron microscopy (TEM) and electron diffraction analysis (SAED) revealed a presence of gold nanoparticles in the experimental solutions of the diatom culture mixed with tetrachloroaureate. Nature of the gold nanoparticles was confirmed by X-ray diffraction studies. Scanning electron microscopy (SEM) and TEM showed that the nanoparticles were associated with the diatom frustules and extracellular polysaccharides (EPS) excreted by the diatom cells. Due to its accessibility, simplicity, and effectiveness, this method of nanocomposites preparation has great importance for possible future applications.