Under normal atmospheric partial pressure of oxygen, the rate of reaction 3 is much lower
than the rate of reaction 2; therefore, the steady-state concentration of ROO• is very much …

The thermodynamic stability of radicals as defined through isodesmic hydrogen transfer
reactions has been explored at a variety of theoretical levels. Radical stabilization energies …

A photoinduced cascade strategy leading to a variety of differentially functionalised nitriles
and ketones has been developed. These reactions rely on the oxidative generation of iminyl …

A procedure based on density functional theory is used for the calculation of the gas-phase
bond dissociation enthalpy (BDE) and ionization potential for molecules belonging to the …

Pestalotiopsis microspora, an endophytic fungus native to the rainforest of Papua New
Guinea, produces a 1, 3-dihydro isobenzofuran. This product, pestacin, is 1, 5, 7 …

Over the past decade, the chemical behaviour of flavonoids as antioxidants has become the
subject of intense experimental research. In this paper, we use a quantum-chemical …

Unlike the conventional model of transition metal catalysis, ligands in metal–ligand
cooperative (or bifunctional) catalysis are involved in the substrate activations. Such …

Despite the importance of the operational lifetime of organic light-emitting diodes (OLEDs) in
practical applications, little is known about the nature of chemical reactions associated with …

The curcuminoids, which include curcumin and related molecules, are effective antioxidants
with demonstrated medicinal effects. The curcumin structure contains a variety of functional …

Bond dissociation enthalpies (BDEs) for the curcumin-related compounds have been
calculated using density functional theory (DFT) methods. It was found that the antioxidant …