A two-step molecular mechanics based computational procedure has been applied to explain the enantioselectivity observed in the hydrolysis of esters of primary alcohols, carried out in the presence of a lipase from Pseudomonas cepacia. This approach proved to be very effective in explaining an unpredictable drop in enantioselectivity, experimentally observed when the chain of the fatty acid was lengthened and to predict the chain length in correspondence of which the effect should have revealed itself.
Tafi, A., Manetti, F., Botta, M., S., C., E., S. (2004). A drop of enantioselectivity in the Pseudomonas cepacia lipase-catalyzed ester hydrolysis is influenced by the chain length of the fatty acid. TETRAHEDRON-ASYMMETRY, 15(15), 2345-2350 [10.1016/j.tetasy.2004.06.010].
A drop of enantioselectivity in the Pseudomonas cepacia lipase-catalyzed ester hydrolysis is influenced by the chain length of the fatty acid
TAFI, ANDREA;MANETTI, FABRIZIO;BOTTA, MAURIZIO;
2004-01-01
Abstract
A two-step molecular mechanics based computational procedure has been applied to explain the enantioselectivity observed in the hydrolysis of esters of primary alcohols, carried out in the presence of a lipase from Pseudomonas cepacia. This approach proved to be very effective in explaining an unpredictable drop in enantioselectivity, experimentally observed when the chain of the fatty acid was lengthened and to predict the chain length in correspondence of which the effect should have revealed itself.
| File | Dimensione | Formato | |
|---|---|---|---|
|
2004TetAsymLipase.pdf
non disponibili
Tipologia:
Post-print
Licenza:
NON PUBBLICO - Accesso privato/ristretto
Dimensione
314.82 kB
Formato
Adobe PDF
|
314.82 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
https://hdl.handle.net/11365/22377
Attenzione
Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo