Evolution detection of phenol by pristine BN nanocone: chemical quantum study

Structural Chemistry - In order to evaluate the electrical response of boron nitride nanocones (BNNCs) to phenol gas, density functional theory (DFT) calculations are employed. The sensitivity and...     

Theoretical Study of a Hybrid Organic–Inorganic Heteropolyoxometalate Compound

Crystallography Reports - Large study of theoretical calculations for the hybrid organic-inorganic heteropolyoxometalate (C6H8N)5[HAs2Mo6O26(H2O)]⋅3H2O (1) is reported. The results of...     

Packing properties of cubic square-free monomial ideals

Journal of Algebraic Combinatorics - The symbolic powers, in general, are not equal to the ordinary powers. Therefore, one interesting question here is for what classes of ideals ordinary and...     

Nanofluids thermal performance in the horizontal annular passages: a recent comprehensive review

Journal of Thermal Analysis and Calorimetry - Nanofluids are prepared to enrich thermo-physical and convective heat transfer properties by suspending nanometer particles in a base fluid. For...     

Modeling interface shear behavior of granular materials using micro-polar continuum approach

Recently, the authors have focused on the shear behavior of interface between granular soil body and very rough surface of moving bounding structure. For this purpose, they have used finite element method and a micro-polar elasto-plastic continuum model. They have shown that the boundary conditions assumed along the interface have strong influences on the soil behavior. While in the previous studies, only very rough bounding interfaces have been taken into account, the present investigation focuses on the rough, medium rough and relatively smooth interfaces. In this regard, plane monotonic shearing of an infinite extended narrow granular soil layer is simulated under constant vertical pressure and free dilatancy. The soil layer is located between two parallel rigid boundaries of different surface roughness values. Particular attention is paid to the effect of surface roughness of top and bottom boundaries on the shear behavior of granular soil layer. It is shown that the interaction between roughness of bounding structure surface and the rotation resistance of bounding grains can be modeled in a reasonable manner through considered Cosserat boundary conditions. The influence of surface roughness is investigated on the soil shear strength mobilized along the interface as well as on the location and evolution of shear localization formed within the layer. The obtained numerical results have been qualitatively compared with experimental observations as well as DEM simulations, and acceptable agreement is shown.     

Copper-based metal–organic framework decorated by CuO hair-like nanostructures: Electrocatalyst for oxygen evolution reaction

We report a Cu-based metal–organic framework (MOF) decorated by CuO nanostructures as an efficient catalyst for the oxygen evolution reaction (OER). MIL-53(Cu) was synthesized by a hydrothermal approach using 1,4-bezenedicarboxylic acid as organic precursor and further annealed at 300°C to form CuO nanostructures on its surface. The produced electrocatalyst, CuO@MIL-53(Cu), was characterized using various techniques. Under alkaline conditions, the developed electrocatalyst exhibited an overpotential of 801 and 336 mV versus RHE at 10 and 1 mA cm⁻², respectively. The reproducibility of the catalytic performance was validated using several electrodes. It was confirmed that the CuO hair-like nanostructures grown on MIL-53(Cu) using thermal treatment exhibit high OER activity, good kinetics and durability. CuO@MIL-53(Cu) is an economic noble-metal-free OER electrocatalyst. It has potential for application as anode material for sustainable energy technologies like batteries, fuel cells and water electrolysis.     

Nickel(II) Schiff base complex supported on nano‐titanium dioxide: A novel straightforward route for preparation of supported Schiff base complexes applying 2,4‐toluenediisocyanate

For the first time, a novel, straightforward and inexpensive route for immobilization of metals in Schiff base complex form is reported applying 2,4‐toluenediisocyanate as a precursor of primary amine group. A nickel(II) Schiff base complex supported on nano‐TiO₂ was designed and synthesized as an effective heterogeneous nanocatalyst for organic reactions, and well characterized using various techniques such as Fourier transform infrared spectroscopy, field emission scanning electron microscopy, transmission electron microscopy, X‐ray diffraction, energy‐dispersive X‐ray analysis and thermogravimetric analysis. The catalytic efficiency of the complex was evaluated in selective oxidation of sulfide to sulfoxide by hydrogen peroxide as an oxidant under solvent‐free conditions at room temperature, which successfully resulted in high yield and high conversion of products. Effective factors including solvent type, oxidant and catalyst amount were also optimized. The catalyst shows outstanding reusability and could be impressively recovered for six consecutive cycles without significant change of its catalytic efficiency.     

Poly(amidoamine) dendrimer‐coated magnetic nanoparticles for the fast purification and selective enrichment of glycopeptides and glycans

Glycosylated proteins modulate various important functions of organisms. To reveal the functions of glycoproteins, in‐depth characterization studies are necessary. Although mass spectrometry is a very efficient tool for glycoproteomic and glycomic studies, efficient sample preparation methods are required prior to analyses. In the study, poly(amidoamine) dendrimer‐coated magnetic nanoparticles were presented for the specific enrichment and fast purification of glycopeptides and glycans. The enrichment and purification performance of the developed method was evaluated both at the glycopeptide, and the glycan level using several standard glycoprotein digests and released glycan samples. The poly(amidoamine) dendrimer‐coated magnetic nanoparticles not only showed selective affinity (Immunoglobulin G/Bovine Serum Albumin, 1/10 by weight) to glycopeptides and released glycans but also good sensitivity (0.4 ng/µL for Immunoglobulin G) for glycoproteomic and glycomic applications. Thirty‐five glycopeptides of Immunoglobulin G were detected after enrichment with poly(amidoamine) dendrimer‐coated magnetic nanoparticles. In addition, 55 ¹⁸O tagged deamidated glycopeptides belonging to human plasma glycoproteome were confirmed. Finally, fifty 2‐aminobenzoic acid, and 30 procainamide‐labelled human plasma N‐glycans released from human plasma glycoproteins were determined after purifications. The results indicate that the proposed enrichment and purification method using poly(amidoamine) dendrimer‐coated magnetic nanoparticles could be simply adjusted to sample preparation methods.     

Electrochemical Derivatization of Acetaminophen for Indirect Determination of Eflornithine Using β‐CD Modified Glassy Carbon Electrode

In the present work, the oxidation of acetaminophen in the absence and presence of eflornithine was electrochemically investigated by means of cyclic voltammetry at a glassy carbon electrode (GCE). Our results indicate that N‐acetyl‐p‐benzoquinone imine (NAPQI) produced from two‐electron electrochemical oxidation of acetaminophen participates in a Michael addition reaction with eflornithine via an ECE mechanism. This fact was used for the determination of eflornithine using differential pulse voltammetry (DPV) technique on the surface of β‐Cyclodextrin modified glassy carbon (β‐CD/GC) electrode. β‐CD/GC electrode was prepared through an electrodeposition procedure and characterized by Fourier‐transform infrared spectroscopy (FT‐IR), Cyclic Voltammetry (CV), Field Emission Scanning Electron Microscopy (FESEM) and Energy‐dispersive X‐ray spectroscopy (EDS) techniques. Under optimum conditions, the β‐CD/GC electrode showed a good linearity as a function of the eflornithine concentration over the range from 5 to 100 μM with detection limit and quantification limit of 1.94 and 5.8 μM, respectively. Finally, the proposed protocol was confirmed to be successful in determination of eflornithine in human urine samples with good recovery, ranging from 97.2 % to 104.8 %.