The Utah Surrogate Mechanism was extended in order to model a stoichiometric premixed cyclohexane flame (P = 30 Torr). Generic rates were assigned to reaction classes of hydrogen abstraction, beta scission, and isomerization, and the resulting mechanism was found to be adequate in describing the combustion chemistry of cyclohexane. Satisfactory results were obtained in comparison with the exper...

This study shows a marked increase in the activity of the soluble enzyme DT-diaphorase and of the histochemical activity of the reduced nicotinamide adenine dinucleotide and reduced nicotinamide adenine dinucleotide phosphate nitroblue tetrazolium menadione-mediated reductases in human colonic carcinomas when compared with the enzymatic activities of portions of the colon uninvolved by the carc...

Formic acid decomposition (FAD) reaction has been an innovative way for hydrogen energy. Noble metal catalysts, especially palladium-containing nanoparticles, supported or unsupported, perform well in this reaction. Herein, we considered the simplest model, wherein one Pd atom is used as the FAD catalyst. With high-level theoretical calculations of CCSD(T)/CBS quality, we investigated all possi...

Pd/ZnO is a promising catalyst studied for methanol steam reforming (MSR) and the 1 : 1 PdZn alloy is demonstrated to be the active component. It is believed that MSR starts from methanol dehydrogenation to methoxy. Previous studies of methanol dehydrogenation on the ideal PdZn(111) surface show that methanol adsorbs weakly on the PdZn(111) surface and it is hard for methanol to transform into ...

The thermal induced on-surface chemistry of large polycyclic aromatic hydrocarbons (PAHs) deposited on dielectric substrates is very rich and complex. We evidence temperature-assisted (cyclo)dehydrogenation reactions for C60H30 molecules and the subsequent bottom-up formation of assembled nanostructures, such as nanodomes, on the TiO2(110) surface. To this aim we have deposited, under ultra-hig...

Full DFT based quantum mechanical studies reveal that zero dimensional porous structures, especially the newly proposed phosphorus incorporated organic cages, can be excellent catalysts for the dehydrogenation of ammonia borane.

Regenerable hydrogen storage of lithium amidoborane is firstly achieved through the routes of direct thermal dehydrogenation and subsequent chemical hydrogenation of its dehydrogenated products by treatment with hydrazine in liquid ammonia.

Manganese oxide octahedral molecular sieves (OMS-2) could act as an efficient, reusable heterogeneous catalyst for transformation of various primary amines to the corresponding primary amides through the sequence of oxidative dehydrogenation and successive hydration.

A new strategy for cyclopenta[b]furan synthesis mediated by hypervalent iodine(III) has been described. The approach employs diacetoxyiodobenzene-induced initial dehydrogenation to a putative trienone intermediate and triggered sequential cycloisomerization to form the cyclo-penta[b]furan targets.

The fluorescent dihydropyrimido[1,2-a]quinoline chromophore of the pyoverdin siderophores has been synthesized by a biomimetic oxidative cyclization using an iodine(III) reagent, followed by elimination and dehydrogenation.