FT-IR and XRD analysis of natural Na-bentonite and Cu(II)-loaded Na-bentonite

Na-bentonite has been studied extensively because of its strong adsorption capacity and complexation ability. In this work, surface area, total pore volume, mean pore diameter, TG, DTA, FT-IR and XRD were carried out in order to reveal the characteristics of natural Na-bentonite. XRD and FT-IR of natural Na-bentonite (China) and Cu-loaded Na-bentonite as a function of Na-bentonite dosage and temperature using batch technique were characterized in detail, respectively.     

Numerical analysis of a parabolic variational inequality system modeling biofilm growth at the porescale

In this article, we consider a system of two coupled nonlinear diffusion–reaction partial differential equations (PDEs) which model the growth of biofilm and consumption of the nutrient. At the scale of interest the biofilm density is subject to a pointwise constraint, thus the biofilm PDE is framed as a parabolic variational inequality. We derive rigorous error estimates for a finite element approximation to the coupled nonlinear system and confirm experimentally that the numerical approximation converges at the predicted rate. We also show simulations in which we track the free boundary in the domains which resemble the pore scale geometry and in which we test the different modeling assumptions.     

Influence of Elemental Compositions in Laser Cleaning for Automotive Coating Systems

Laser coating removal is an approach that has the potential to replace conventional chemical-based stripping methods in industry. In addition to the laser parameters, the efficiency of this cleaning technique depends also on the coating system itself. For this reason, we study the influence of the elemental compositions of two Malaysian automotive coated substrates, referred to here as A and B, on laser coating removal mechanisms using the Cynosure Cynergy Nd:YAG laser. The optimum laser coating removal efficiencies for both samples A and B are determined based on the depths of 360 craters obtained using a given formula. Selected crater depths on both of the stipulated samples are then subjected to energy dispersive X-ray analysis to determine their elemental compositions. The results indicate that sample A, which has higher aluminum content, shows greater efficiency in coating system removal, with balanced carbon and oxygen compositions aiding coating reduction during the cleaning process.     

Photochemistry of trans-Cr(cyclam)(ONO)2+, a nitric oxide precursor

Experimental and density functional theory (DFT) studies are described that are focused on outlining the reactivity of the known photochemical nitric oxide precursor trans-Cr(cyclam)(ONO)(2)(+) ("CrONO", cyclam = 1,4,8,11-tetrazacycltetradecane). Studies in both aerated and deaerated aqueous media are described as are the roles of both the oxidant O(2) and a reductant such as glutathione in trapping the apparent Cr(IV) photoreaction intermediate trans-Cr(cyclam)(O)(ONO)(+). Also reported and characterized structurally is the Cr(V) product of long-term photolysis in the absence of reducing agents, the trans-dioxo species [trans-Cr(cyclam)(O)(2)](ClO(4)). Photosensitization experiments indicate that at least a significant fraction of the reaction occurs from the lowest energy doublet excited state(s). Lastly, cell culture experiments demonstrate that CrONO has little or no acute toxicity either before or after photolysis.     

Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors

Structure-based design, synthesis, and X-ray structure of protein-ligand complexes of memapsin 2 are described. The inhibitors are designed specifically to interact with S2- and S3-active site residues to provide selectivity over memapsin 1 and cathepsin D. Inhibitor 6 has exhibited exceedingly potent inhibitory activity against memapsin 2 and selectivity over memapsin 1 (>3800-fold) and cathepsin D (>2500-fold). A protein-ligand crystal structure revealed cooperative interactions in the S2- and S3-active sites of memapsin 2. These interactions may serve as an important guide to design selectivity over memapsin 1 and cathepsin D.     

The equivalence of Bell's inequality and the Nash inequality in a quantum game-theoretic setting

The interaction of competing agents is described by classical game theory. It is now well known that this can be extended to the quantum domain, where agents obey the rules of quantum mechanics. This is of emerging interest for exploring quantum foundations, quantum protocols, quantum auctions, quantum cryptography, and the dynamics of quantum cryptocurrency, for example. In this paper, we investigate two-player games in which a strategy pair can exist as a Nash equilibrium when the games obey the rules of quantum mechanics. Using a generalized Einstein–Podolsky–Rosen (EPR) setting for two-player quantum games, and considering a particular strategy pair, we identify sets of games for which the pair can exist as a Nash equilibrium only when Bell's inequality is violated. We thus determine specific games for which the Nash inequality becomes equivalent to Bell's inequality for the considered strategy pair.