Cover Image, Volume 117, Issue 11

Geometry of the transition state involved in abstraction of two hydrogen atoms from dihydrolipoic acid (diLA) is shown in the figure. Theoretical calculations reveal that diLA would scavenge H 2 O 2 by double hydrogen abstraction from two carbon or a carbon and a sulphur sites. The OH radicals formed due to dissociation of H 2 O 2 abstract a hydrogen atom each from carbon or sulphur site of diLA and get converted into H 2 O molecules. The nature of each CC bond from where double hydrogen abstraction takes place changes from single to double due to which diLA transforms from an alkane into an alkene. (DOI: 10.1002/qua.25355 ).