Ethylene peroxynitrous acid

The triplet instability of both RB3LYP and RHF solutions is responsible for the difference in the symmetry of the ethylene-peroxynitrous acid transition structure. In general, an unsymmetrical transition structure with alkene epoxidation when an alternative symmetrical structure is possible, appears to be associated with an unstable wave function. 

D,L-Selenomethionine is oxidised by peroxynitrite by two competing mechanisms, a one-electron oxidation that leads to ethylene, and a two-electron oxidation that gives methionine selenoxide (Pad-MAjA et al. 1997). Kinetic modelling of the experimental data suggests that both peroxynitrous acid and the peroxynitrite anion react with d,l-selenomethionine to form methionine selenoxide with rate constants of 20,4601440 M" s" and 2001170 M" s", respectively at 25 °C. In the presence of added bicarbonate, the yield of ethylene obtained from the reaction of 0.4 mM peroxynitrite with 1.0 mM selenomethionine, decreased by 35% with an increase in the concentration of bicarbonate from 0 to 25 mM. Kinetic simulations showed that the decrease in the yield of methionine selen-... 

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