An NMR and MD modeling insight into nucleation of 1,2-alkanediols: selective crystallization of lipase-catalytically resolved enantiomers from the reaction mixtures.
J Org Chem
; 78(24): 12795-801, 2013 Dec 20.
Article
em En
| MEDLINE
| ID: mdl-24228810
ABSTRACT
The work on developing a scalable lipase-catalytic method for the kinetic resolution of long-chain 1,2-alkanediols, complemented by crystallization of the pure enantiomers from the reaction mixtures, offered the possibility of a more detailed study of the aggregation of such diols. MD modeling, mass spectrometry, (1)H NMR, and DOSY studies provided a novel insight into the nucleation process. An efficient protocol for stereo- and chemoselective crystallization of (S)-1,2-dodecanediol and related compounds from the crude bioconversion mixtures was developed.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Proteínas Fúngicas
/
Álcoois
/
Alcanos
/
Simulação de Dinâmica Molecular
/
Lipase
Idioma:
En
Ano de publicação:
2013
Tipo de documento:
Article