An NMR and MD Modeling Insight into Nucleation of 1, 2-Alkanediols: Selective Crystallization of Lipase-Catalytically Resolved Enantiomers from the Reaction …
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, 1H NMR, and DOSY studies provided a novel insight into the nucleation process. An efficient protocol for stereo-and chemoselective ...