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Pregled bibliografske jedinice broj: 997330

Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept


Smith, David M.; Golding, Bernard T.; Radom, Leo
Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept // Journal of the American Chemical Society, 121 (1999), 24; 5700-5704 doi:10.1021/ja990209g (međunarodna recenzija, članak, znanstveni)


Naslov
Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept

Autori
Smith, David M. ; Golding, Bernard T. ; Radom, Leo

Izvornik
Journal of the American Chemical Society (0002-7863) 121 (1999), 24; 5700-5704

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
AFFINITIES ; MODEL

Sažetak
Ab initio molecular orbital theory has been used to study the reactions catalyzed by the Bit-dependent enzyme diol dehydratase. The calculations show that a pathway involving the 1, 2-shift of a hydroxyl group is greatly facilitated by partial proton transfer to the migrating oxygen. These results suggest a conceptually simple mechanism for the rearrangement whose reaction rate is consistent with experiment. The inclusion of a gem-diol intermediate in the proposed pathway is in accordance with O-18-labeling experiments and thus overcomes important shortcomings iii previously proposed mechanisms.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Autor s matičnim brojem:
David Matthew Smith, (260506)

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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