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Competing S N 2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes

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dc.contributor.authorBrittain, David
dc.contributor.authorPandey, Rinku
dc.contributor.authorKumari, Kirti
dc.contributor.authorSharma, Pooja
dc.contributor.authorPandey, Gunjan
dc.contributor.authorLal, Rup
dc.contributor.authorCoote, Michelle
dc.contributor.authorOakeshott, John Graham
dc.contributor.authorJackson, Colin
dc.date.accessioned2015-12-10T22:59:20Z
dc.date.issued2011
dc.date.updated2016-02-24T10:44:24Z
dc.description.abstractQuantum chemistry calculations have been used alongside experimental kinetic analysis to investigate the competition between SN2 and E2 mechanisms for the dechlorination of hexachlorocyclohexane isomers, revealing that enzyme specificity reflects the intrinsic reactivity of the various isomers.
dc.identifier.issn1359-7345
dc.identifier.urihttp://hdl.handle.net/1885/61035
dc.publisherRoyal Society of Chemistry
dc.sourceChemical Communications
dc.subjectKeywords: enzyme; hexachlorocyclohexane; article; binding competition; dechlorination; degradation kinetics; enzyme specificity; gas; isomer; quantum chemistry; reaction analysis; solution and solubility; Bacterial Proteins; Gases; Insecticides; Isomerism; Kinetics
dc.titleCompeting S N 2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes
dc.typeJournal article
local.bibliographicCitation.issue3
local.bibliographicCitation.lastpage978
local.bibliographicCitation.startpage976
local.contributor.affiliationBrittain, David, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationPandey, Rinku, CSIRO Entymology
local.contributor.affiliationKumari, Kirti, University of Dehli
local.contributor.affiliationSharma, Pooja, University of Dehli
local.contributor.affiliationPandey, Gunjan, CSIRO Entomology
local.contributor.affiliationLal, Rup, University of Dehli
local.contributor.affiliationCoote, Michelle, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationOakeshott, John Graham, CSIRO Division of Entomology
local.contributor.affiliationJackson, Colin, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidBrittain, David, u4193316
local.contributor.authoruidCoote, Michelle, u4031074
local.contributor.authoruidJackson, Colin, u4040768
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030799 - Theoretical and Computational Chemistry not elsewhere classified
local.identifier.absfor030399 - Macromolecular and Materials Chemistry not elsewhere classified
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationU4217927xPUB582
local.identifier.citationvolume47
local.identifier.doi10.1039/C0CC02925D
local.identifier.scopusID2-s2.0-78650472386
local.identifier.thomsonID000285515200039
local.type.statusPublished Version

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