Molecular mass estimation by PFG NMR spectroscopy

Christopher A Crutchfield; Douglas J Harris

doi:10.1016/j.jmr.2006.12.004

Molecular mass estimation by PFG NMR spectroscopy

J Magn Reson. 2007 Mar;185(1):179-82. doi: 10.1016/j.jmr.2006.12.004. Epub 2006 Dec 26.

Authors

Christopher A Crutchfield¹, Douglas J Harris

Affiliation

¹ Cytec Industries, Inc., Research and Development, 1937 West Main Street, Stamford, CT 06904, USA.

PMID: 17188920
DOI: 10.1016/j.jmr.2006.12.004

Abstract

A simplified PFG NMR diffusion analysis method was developed to estimate the molecular mass of small molecules in dilute aqueous and organic solutions. Internal referencing was utilized to improve the experimental robustness and simplify the data analysis. Specifically, tetramethylsilane (TMS) and HDO were chosen for the organic and aqueous reference molecules, respectively. Relative diffusivity-molecular mass correlations were empirically developed in the range of 2-1280 g/mol for dilute CDCl3 and D2O solutions. The median error in the predicted molecular mass was found to be 10 rel%. The utility of the method was demonstrated by analyzing the major and minor components in olive oil.

MeSH terms

Algorithms*
Computer Simulation
Magnetic Resonance Spectroscopy / methods*
Models, Chemical*
Models, Molecular*
Molecular Weight*
Olive Oil
Plant Oils / chemistry*
Sensitivity and Specificity

Substances

Olive Oil
Plant Oils