Theoretical study of the correlation between superoxide anion consumption and firefly luciferin chemiluminescence

This is the first theoretical study of the relationship between superoxide anion and firefly chemiluminescence, in DMSO. Electron transfer reactions between luciferin dianionic/carbanionic/radical species and superoxide were studied in order see if an alternative explanation existed for the consumption of the latter species, without correlating it with a role on luciferin chemiluminescence. Despite the finding that luciferin may indeed inhibit the formation of the superoxide anion, no theoretical evidence was found that showed that this molecule is consumed in a non-chemiluminescence reaction. Therefore, it is concluded that the superoxide anion is indeed related to the firefly luciferin chemiluminescence.