Pregled bibliografske jedinice broj: 997330
Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept
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)
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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
Citiraj ovu publikaciju:
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
