A convenient and regioselective oxidative bromination of electron-rich aromatic rings using potassium bromide and benzyltriphenylphosphonium peroxymonosulfate under nearly neutral reaction conditions

Regioselective oxidative bromination of electron-rich aromatic rings has been studied using potassium bromide as a bromine source in the presence of benzyltriphenylphosphonium peroxymonosulfate as oxidant under nearly neutral reaction conditions. In most cases we obtained monobrominated derivatives regioselectively and in good to high yields without the aid of strong acids.     

Facile protection of carbonyl compounds as oxathiolanes and transoxathioacetalization of oxyacetals promoted by iron(III) trifluoroacetate or trifluoromethanesulfonate as chemoselective and recyclable catalysts

Oxathioacetalization of carbonyl compounds and transoxathioacetalization of O,O-acetals/ketals are reported under nearly neutral conditions promoted by iron(III) trifluoroacetate [Fe(CF₃CO₂)₃] or trifluoromethanesulfonate [Fe(CF₃SO₃)₃] as recyclable and highly efficient Lewis acid catalysts.     

Strong Structural and Electronic Binding of Bovine Serum Albumin to ZnO via Specific Amino Acid Residues and Zinc Atoms

ZnO biointerfaces with serum albumin have attracted noticeable attention due to the increasing interest in developing ZnO-based materials for biomedical applications. ZnO surface morphology and chemistry are expected to play a critical role on the structural, optical, and electronic properties of albumin-ZnO complexes. Yet there are still large gaps in the understanding of these biological interfaces. Herein we comprehensively elucidate the interactions at such interfaces by using atomic force microscopy and nanoshaving experiments to determine roughness, thickness, and adhesion properties of BSA layers adsorbed on the most typical polar and non-polar ZnO single-crystal facets. These experiments are corroborated by force field (FF) and density-functional tight-binding (DFTB) calculations on ZnO-BSA interfaces. We show that BSA adsorbs on all the studied ZnO surfaces while interactions of BSA with ZnO are found to be considerably affected by the atomic surface structure of ZnO. BSA layers on the surface have the highest roughness and thickness, hinting at a specific upright BSA arrangement. BSA layers on surface have the strongest binding, which is well correlated with DFTB simulations showing atomic rearrangement and bonding between specific amino acids (AAs) and ZnO. Besides the structural properties, the ZnO interaction with these AAs also controls the charge transfer and HOMO-LUMO energy positions in the BSA-ZnO complexes. This ZnO facet-specific protein binding and related structural and electronic effects can be useful for improving the design and functionality of ZnO-based materials and devices.     

Reversible hydrogenation restores defected graphene to graphene

Graphene as a two-dimensional material is prone to hydrocarbon contaminations,which can significantly alter its intrinsic electrical properties.Herein,we implem...     

Laguerre Wavelet Approach for a Two-Dimensional Time–Space Fractional Schrödinger Equation

This article is devoted to the determination of numerical solutions for the two-dimensional time–spacefractional Schrödinger equation. To do this, the unknown parameters are obtained using the Laguerre wavelet approach. We discretize the problem by using this technique. Then, we solve the discretized nonlinear problem by means of a collocation method. The method was proven to give very accurate results. The given numerical examples support this claim.     

Fluorine extraction from organofluorine molecules to make fluorinated clusters in yttrium MOFs

A new rare earth based two-dimensional coordination network and a three-dimensional metal–organic framework (MOF) have been synthesized using bicinchoninic acid (BCA) and yttrium(iii) ions. Yttrium dimer nodes are formed in the absence of a modulator, resulting in a 2D layered coordination network (Y–BCA-2D). The presence of fluorinating agents, e.g., 2-fluorobenzoic acid (2-FBA), 2,6-difluorobenzoic acid (2,6-DFBA), and perfluorohexanoic acid (PFHxA) result in μ₃-F bridged metal hexaclusters (Y₆F₈) that form a three-dimensional MOF (Y–BCA-3D). It was found that Y³⁺ can break highly stable C–F bonds in aromatic and aliphatic fluorinated compounds. Single-crystal X-ray diffraction (SC-XRD) shows the presence of fluorine in the metal cluster which was confirmed by energy dispersive X-ray spectroscopy (EDS). High resolution X-ray photoelectron spectroscopy (XPS) and ¹⁹F Nuclear Magnetic Resonance (NMR) also verify the presence of metal–fluorine bonds in the cluster. The Y–BCA-3D MOF selectively adsorbs CO₂ but not N₂.

The reaction of yttrium(iii) and linker makes a 2D metal–organic framework. The addition of fluorinated modulators result in fluorine extraction from modulators and makes a 3D-MOF.     

Gamow Temperature in Tsallis and Kaniadakis Statistics

Relying on the quantum tunnelling concept and Maxwell–Boltzmann–Gibbs statistics, Gamow shows that the star-burning process happens at temperatures comparable to a critical value, called the Gamow temperature (T) and less than the prediction of the classical framework. In order to highlight the role of the equipartition theorem in the Gamow argument, a thermal length scale is defined, and then the effects of non-extensivity on the Gamow temperature have been investigated by focusing on the Tsallis and Kaniadakis statistics. The results attest that while the Gamow temperature decreases in the framework of Kaniadakis statistics, it can be bigger or smaller than T when Tsallis statistics are employed.     

Host–Guest Assembly of a Molecular Reporter with Chiral Cyanohydrins for Assignment of Absolute Stereochemistry

The absolute stereochemistry of cyanohydrins, derived from ketones and aldehydes, is obtained routinely, in a microscale and derivatization‐free manner, upon their complexation with Zn‐MAPOL, a zincated porphyrin host with a binding pocket comprised of a biphenol core. The host–guest complex leads to observable exciton‐coupled circular dichroism (ECCD), the sign of which is easily correlated to the absolute stereochemistry of the bound cyanohydrin. A working model, based on the ECCD signal of cyanohydrins with known configuration, is proposed.     

Investigation of the Electroreduction Behavior,Electroreduction Mechanism and Voltammetric Determination of Medetomidine on the Graphene Paste Electrode

This paper presents a method for the construction of a graphene paste electrode (GPE) from reduced graphene oxide (RGO). The GPE was successfully used for the determination of medetomidine. The influence of some experimental variables such as pH, supporting electrolyte, scan rate, and possible interferences were studied. Differential pulse voltammetric (DPV) peak currents of medetomidine increased linearly with its concentration in the range from 0.009 to 2.5 µM. The limit of detection (LOD) and limit of quantitation (LOQ) values for the determination of medetomidine were 2.8 and 9.2 nM, respectively. Also, for the first time, the electroreduction behavior of medetomidine was investigated.