Enhanced measurement of residual chemical shift anisotropy for small molecule structure elucidation

Chemical Communication, April 2018

About the Cover:
NMR magnetic field alignment of small molecules in the presence of a liquid crystalline matrix facilitates new anisotropy experiments.

Abstract:
A method is introduced to measure residual chemical shift anisotropies (RCSA) conveniently and accurately in the liquid crystalline phase of poly-c-(benzyl-L-glutamate). The alignment amplitude is substantially enhanced over common methods which greatly benefits measurements, particularly on sp3 carbons. The approach offers significant improvements in data accuracy and utility for small molecule structure determination. The commercial availability of the PBLG matrix, facile sample preparation, and high analyte recovery comparable to polymer gels, and the easily implemented NMR experiment should facilitate utilization of RCSA data for small molecule structural analysis in a greater number of laboratories than has been heretofore possible with existing methods.

Lab/Branch/Program: 
Molecular Targets Program
Citation: 

Enhanced measurement of residual chemical shift anisotropy for small molecule structure elucidation. Liu Y, Cohen RD, Gustafson KR, Martin GE, and Williamson RT.  Chemical Communications, 54(34): 4195-4362, 2018.

Published Date: 
April, 2018