Synthesis,microwave‐promoted catalytic activity in Suzuki–Miyaura cross‐coupling reactions and antimicrobial properties of novel benzimidazole salts bearing trimethylsilyl group

A mixture of benzimidazole salts (2–7), Pd(OAc)₂ and K₂CO₃ in DMF–H₂O catalyzes the Suzuki–Miyaura cross‐coupling reactions promoted by microwave irradiation resulting in high yield within a short time. In particular, the yield of the Suzuki–Miyaura reactions with aryl bromides was found to be nearly quantitative. The synthesized benzimidazole salts (2–7) were identified by ¹H‐¹³C, NMR, IR spectroscopic methods and microanalysis. The molecular structure of 1 was determined by X‐ray crystallography. The antibacterial and antifungal activities of the novel benzimidazole derivatives (1–7) were also tested against standard strains. Copyright © 2011 John Wiley & Sons, Ltd.     

A real-time monitoring approach for bivariate event data

Early detection of changes in the frequency of events is an important task in many fields, such as disease surveillance, monitoring of high-quality processes, reliability monitoring, and public health. This article focuses on detecting changes in multivariate event data by monitoring the time-between-events (TBE). Existing multivariate TBE charts are limited because they only signal after an event occurred for each of the individual processes. This results in delays (i.e., long time-to-signal), especially when we are interested in detecting a change in one or a few processes with different rates. We propose a bivariate TBE chart, which can signal in real-time. We derive analytical expressions for the control limits and average time-to-signal performance, conduct a performance evaluation and compare our chart to an existing method. Our findings showed that our method is an effective approach for monitoring bivariate TBE data and has better detection ability than the existing method under transient shifts and is more generally applicable. A significant benefit of our method is that it signals in real-time and that the control limits are based on analytical expressions. The proposed method is implemented on two real-life datasets from reliability and health surveillance.     

Synthesis,Chemical Characterization,DNA Interaction and Antioxidant,Studies of New Nitrosubstituted Thioureas and Their Copper Complexes

In the present work new nitro substituted thioureas, and their copper complexes have been synthesized and characterized by FTIR and multinuclear NMR techniques. Some of the compounds namely 1‐benzoyl‐3‐(4‐chloro‐3‐nitrophenyl) thiourea (A‐1), 1‐benzoyl‐3‐(4‐chloro‐3‐nitrophenyl) thiourea (A‐2) and 1‐benzoyl‐3‐(2‐methoxy‐4‐nitrophenyl) thiourea (A‐2) have also been characterized by single crystal XRD. All the synthesized compounds have been screened for DNA binding potencies (using cyclic voltametry, UV‐vis spectroscopy) and free radical scavanging activities.     

Investigation of discrete stress distribution for dry powder compaction using Discrete Element Method and weighted Voronoi tesselation

Powder compaction of granular material plays a substantial role in the manufacturing process of ceramics industry and powder metallurgy industry. The compaction behaviour is ruled by granular flow and densification of deformable particles. Discrete element method (DEM) allows to investigate the powder compaction process numerically on the microscale by modeling the forces on the particle level and simulating the particle motion. Three-dimensional data about particle size distribution and spatial structure of the particle packing can be extracted from micro-computed tomography (µCT). An average stress tensor can be computed from DEM results, evaluating the contact forces and the distances from the particle center to the contact point with respect to an average cell volume. A weighted Voronoi tesselation of the polydisperse particle assembly is proposed for mapping a cell volume to each individual particle. With this approach all structural information of the particle system can be transferred from a discrete particle model to a heterogeneous volume model of micro-structure. Discrete stress distributions for uniaxial powder compaction are presented. (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Chemical mimicry: hierarchical 1D TiO2@ZrO2 core-shell structures reminiscent of sponge spicules by the synergistic effect of silicatein-α and silintaphin-1

In nature, mineralization of hard tissues occurs due to the synergistic effect of components present in the organic matrix of these tissues, with templating and catalytic effects. In Suberites domuncula, a well-studied example of the class of demosponges, silica formation is mediated and templated by an axial proteinaceous filament with silicatein-α, one of the main components. But so far, the effect of other organic constituents from the proteinaceous filament on the catalytic effect of silicatein-α has not been studied in detail. Here we describe the synthesis of core-shell TiO(2)@SiO(2) and TiO(2)@ZrO(2) nanofibers via grafting of silicatein-α onto a TiO(2) nanowire backbone followed by a coassembly of silintaphin-1 through its specifically interacting domains. We show for the first time a linker-free, one-step funtionalization of metal oxides with silicatein-α using glutamate tag. In the presence of silintaphin-1 silicatein-α facilitates the formation of a dense layer of SiO(2) or ZrO(2) on the TiO(2)@protein backbone template. The immobilization of silicatein-α onto TiO(2) probes was characterized by atomic force microscopy (AFM), optical light microscopy, and high-resolution transmission electron microscopy (HRTEM). The coassembly of silicatein-α and silintaphin-1 may contribute to biomimetic approaches that pursue a controlled formation of patterned biosilica-based biomaterials.     

Controlling phase formation in solids: rational synthesis of phase separated Co@Fe2O3 heteroparticles and CoFe2O4 nanoparticles

A wet chemical approach from organometallic reactants allowed the targeted synthesis of Co@Fe(2)O(3) heterodimer and CoFe(2)O(4) ferrite nanoparticles. They display magnetic properties that are useful for magnetic MRI detection.