title: Competing S(N)2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes.
abstract: Quantum chemistry calculations have been used alongside experimental kinetic analysis to investigate the competition between S(N)2 and E2 mechanisms for the dechlorination of hexachlorocyclohexane isomers, revealing that enzyme specificity reflects the intrinsic reactivity of the various isomers.
authors.affiliation: Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia.
authors.forename: David R B
authors.initials: DR
authors.lastname: Brittain
authors.forename: Rinku
authors.initials: R
authors.lastname: Pandey
authors.forename: Kirti
authors.initials: K
authors.lastname: Kumari
authors.forename: Pooja
authors.initials: P
authors.lastname: Sharma
authors.forename: Gunjan
authors.initials: G
authors.lastname: Pandey
authors.forename: Rup
authors.initials: R
authors.lastname: Lal
authors.forename: Michelle L
authors.initials: ML
authors.lastname: Coote
authors.forename: John G
authors.initials: JG
authors.lastname: Oakeshott
authors.forename: Colin J
authors.initials: CJ
authors.lastname: Jackson
mesh_terms: D001426:Bacterial Proteins / Q000737:chemistry / Q000378:metabolism*; D005740:Gases / Q000378:metabolism; D001556:Hexachlorocyclohexane / Q000737:chemistry / Q000378:metabolism*; D007306:Insecticides / Q000737:chemistry / Q000378:metabolism*; D007536:Isomerism; D007700:Kinetics; D008958:Models, Molecular; D012996:Solutions / Q000378:metabolism; D042301:Sphingomonadaceae / Q000201:enzymology*
chemical_list: D001426:Bacterial Proteins; D005740:Gases; D007306:Insecticides; D012996:Solutions; D001556:Hexachlorocyclohexane