Ultrafast joule-heating-assisted O, N dual-doping of unfunctionalized carbon enhances Ru nanoparticle-catalyzed hydrogen production.

The development of a rapid and convenient strategy to regulate the surface microenvironment of inert carbon supports, along with the physicochemical properties of their supported metal nanoparticles, is essential for enhancing catalytic performance. In this study, we describe a straightforward and efficient solid-state microwave method that utilizes a household microwave oven to achieve the co-doping of oxygen and nitrogen in unfunctionalized carbon black (ONCB) using urea as a nitrogen source. The microwave solid-state treatment of commercial carbon black (CB) with urea not only introduces a significant number of heteroatomic functional groups but also substantially increases the pore size and pore volume of the matrix.

Divergent Synthesis of Isoquinolone and Isocoumarin Derivatives by the Annulation of Benzoic Acid with -Vinyl Amide.

A simple and efficient method for the synthesis of isoquinolone and isocoumarin derivatives is reported. The method for the first time provides a one-step divergent synthesis of important isoquinolone and isocoumarin skeletons from benzoic acid by switching the coupling partners. In addition, a reliable mechanism has been proposed on the basis of experimental investigations, including kinetic isotope effect experiments, C labeling experiments, time-tracking experiments, and competitive experiments, as well as DFT calculation studies.

Origin of Enhanced Reactivity of a Microsolvated Nucleophile in Ion Pair SN2 Reactions: The Cases of Sodium p-Nitrophenoxide with Halomethanes in Acetone.

In a kinetic experiment on the SN2 reaction of sodium p-nitrophenoxide with iodomethane in acetone-water mixed solvent, Humeres et al. (J. Org.

A new electrochemical biosensor for DNA detection based on molecular recognition and lead sulfide nanoparticles.

In this paper, we constructed a new electrochemical biosensor for DNA detection based on a molecule recognition technique. In this sensing protocol, a novel dual-labeled DNA probe (DLP) in a stem-loop structure was employed, which was designed with dabcyl labeled at the 3' end as a guest molecule, and with a Pb nanoparticle labeled at the 5' end as electrochemical tag to indicate hybridization. One α-cyclodextrin-modified electrode (α-CD/MCNT/GCE) was used for capturing the DNA hybridization.

Effects of substituent and leaving group on the gas-phase SN2 reactions of phenoxides with halomethanes: a DFT investigation.

Computational investigations on the gas-phase nucleophilic substitution reactions of p-substituted phenoxides (p-Y-C6H4O-, Y = OH, CH3O, CH3, H, F, Cl, CF3) with halomethanes (CH3X, X = F, Cl, Br, and I) were performed by the B3LYP and MP2 methods with the 6-311+G(d,p) basis set. Calculated results indicate that the reactions are more endothermic only when the substrate is a lighter halide. The complexation enthalpies, the key parameters in the transition state (TS), the central barriers, overall barriers, overall reaction enthalpies, and the charge of the O4 atom in the TSs all present good correlations with the Hammett constants sigma of substituents in the nucleophile.

A comprehensive theoretical study on the hydrolysis of carbonyl sulfide in the neutral water.

The detailed hydration mechanism of carbonyl sulfide (COS) in the presence of up to five water molecules has been investigated at the level of HF and MP2 with the basis set of 6-311++G(d, p). The nucleophilic addition of water molecule occurs in a concerted way across the C==S bond of COS rather than across the C==O bond. This preferential reaction mechanism could be rationalized in terms of Fukui functions for the both nucleophilic and electrophilic attacks.