Nano palladium supported on high‐surface‐area metal–organic framework MIL‐101: an efficient catalyst for Sonogashira coupling of aryl and heteroaryl bromides with alkynes

Palladium nanoparticle‐incorporated metal–organic framework MIL‐101 (Pd/MIL‐101) was successfully synthesized and characterized using X‐ray diffraction, nitrogen physisorption, X‐ray photoelectron, UV–visible and infrared spectroscopies, and transmission electron microscopy. The characterization techniques confirmed high porosity and high surface area of MIL‐101 and high stability of nano‐size palladium particles. Pd/MIL‐101 nanocomposite was investigated for the Sonogashira cross‐coupling reaction of aryl and heteroaryl bromides with various alkynes under copper‐free conditions. The reusability of the catalyst was tested for up to four cycles without any significant loss in catalytic activity. Copyright © 2015 John Wiley & Sons, Ltd.     

Full counting statistics of transport electrons through a two-level quantum dot with spin–orbit coupling

We study the full counting statistics of transport electrons through a semiconductor two-level quantum dot with Rashba spin–orbit (SO) coupling, which acts as a nonabelian gauge field and thus induces the electron transition between two levels along with the spin flip. By means of the quantum master equation approach, shot noise and skewness are obtained at finite temperature with two-body Coulomb interaction. We particularly demonstrate the crucial effect of SO coupling on the super-Poissonian fluctuation of transport electrons, in terms of which the SO coupling can be probed by the zero-frequency cumulants. While the charge currents are not sensitive to the SO coupling.     

Preparation of hydrophobic and conductive cotton fabrics using multi-wall carbon nanotubes by the sol–gel method

Journal of Sol-Gel Science and Technology - In this paper, a simple method is presented for making a conductive and hydrophobic cotton fabric using a multi-walled carbon nanotube (MWCNT). The...     

Unfamiliar Aspects of Bäcklund Transformations and an Associated Degasperis–Procesi Equation

We summarize the results of our recent work on Bäcklund transformations (BTs), particularly focusing on the relation between BTs and infinitesimal symmetries. We present a BT for an associated Degasperis–Procesi (aDP) equation and its superposition principle and investigate the solutions generated by applying this BT. Following our general methodology, we use the superposition principle of the BT to generate the infinitesimal symmetries of the aDP equation.     

New Effects in the Poly-N-Vinylcaprolactam/Titanium(IV) Oxides Nanocomposite System and Their Nature

Nanocomposites based on poly-N-vinylcaprolactam (PVC), characterized by different drying temperatures of aqueous PVC solution at 25°С (PVC25) and 40°С (PVC40), with titanium(IV) oxide nanoparticles (TONs) (η-phase (TP: TiO_{2 – x} · mH₂O) with a superstructure to the anatase structure and ordered solid solution with partial replacement of oxygen atoms in the η-phase with peroxo group O ₂ ^2– (PP: TiO _x (O₂)_{2 – x} · nH₂O)) have been obtained for the first time and characterized by X-ray diffraction and IR spectroscopy. It is found that a common feature of TP/PVC and PP/PVC obtained by dry mixing and grinding is the decrease in the number of water molecules for TP and PP in the interlayer space of the structure and their attachment to the PVC amide groups; the differences are related to the specificity of PVC behavior in these systems: mechanodestruction of PVC in PP/PVC40 and different numbers of water molecules in PVC25 and PVC40.     

Mesoscopic Modeling of Capillarity-Induced Two-Phase Transport in a Microfluidic Porous Structure

Mesoscopic modeling at the pore scale offers great promise in exploring the underlying structure transport performance of flow through porous media. The present work studies the fluid flow subjected to capillarity-induced resonance in porous media characterized by different porous structure and wettability. The effects of porosity and wettability on the displacement behavior of the fluid flow through porous media are discussed. The results are presented in the form of temporal evolution of percentage saturation and displacement of the fluid front through porous media. The present study reveals that the vibration in the form of acoustic excitation could be significant in the mobilization of fluid through the porous media. The dependence of displacement of the fluid on physicochemical parameters like wettability of the surface, frequency along with the porosity is analyzed. It was observed that the mean displacement of the fluid is more in the case of invading fluid with wetting phase where the driving force strength is not so dominant.     

Triesterase and Promiscuous Diesterase Activities of a Di‐CoII‐Containing Organophosphate Degrading Enzyme Reaction Mechanisms

The reaction mechanism for the hydrolysis of trimethyl phosphate and of the obtained phosphodiester by the di‐Co^II derivative of organophosphate degrading enzyme from Agrobacterium radiobacter P230(OpdA), have been investigated at density functional level of theory in the framework of the cluster model approach. Both mechanisms proceed by a multistep sequence and each catalytic cycle begins with the nucleophilic attack by a metal‐bound hydroxide on the phosphorus atom of the substrate, leading to the cleavage of the phosphate‐ester bond. Four exchange‐correlation functionals were used to derive the potential energy profiles in protein environments. Although the enzyme is confirmed to work better as triesterase, as revealed by the barrier heights in the rate‐limiting steps of the catalytic processes, its promiscuous ability to hydrolyze also the product of the reaction has been confirmed. The important role played by water molecules and some residues in the outer coordination sphere has been elucidated, while the binuclear Co^II center accomplishes both structural and catalytic functions. To correctly describe the electronic configuration of the d shell of the metal ions, high‐ and low‐spin arrangement jointly with the occurrence of antiferromagnetic coupling, have been herein considered.