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

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

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.

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2011-01, Vol.47 (3), p.976-978
Hauptverfasser: Brittain, David R B, Pandey, Rinku, Kumari, Kirti, Sharma, Pooja, Pandey, Gunjan, Lal, Rup, Coote, Michelle L, Oakeshott, John G, Jackson, Colin J
Format: Artikel
Sprache:eng
Schlagworte:
Bacterial Proteins - chemistry
Bacterial Proteins - metabolism
Gases - metabolism
Insecticides - chemistry
Insecticides - metabolism
Isomerism
Kinetics
Lindane - chemistry
Lindane - metabolism
Models, Molecular
Solutions - metabolism
Sphingomonadaceae - enzymology
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Zusammenfassung: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.
ISSN:1364-548X
DOI:10.1039/c0cc02925d