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Title: A drop of enantioselectivity in the Pseudomonas cepacia lipase-catalyzed ester hydrolysis is influenced by the chain length of the fatty acid
Authors: Tafi, Andrea 
Manetti, Fabrizio 
Botta, Maurizio 
S., Casati
E., Santaniello
Issue Date: 2004
Project: None 
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.
ISSN: 0957-4166
DOI: 10.1016/j.tetasy.2004.06.010
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