Applications of qNMR

qHNMR of Residual Solvents

Residual solvents can be simultaneously identifiied and quantified by NMR spectroscopy, usually with high sensitivity as solvents are low-molecular weight compounds. In 2005, Jones, Sharman, and Pidgeon published an excellent approach to residual solvent analysys by qNMR using an html/xml and java-based small database that allows the rapid identification of signals of all ICH-prescribed solvents. This forms the basis of rapid and reliable qHNMR quantification of even trace quantities of solvents, e.g., in pharmaceutical samples.

Jones, Ian C; Sharman,Gary J; Pidgeon, Julia. 1H and 13C NMR data to aid the identification and quantification of residual solvents by NMR spectroscopy. Magn. Res. Chem. 2005, 43, 497-509 (http://dx.doi.org/10.1002/mrc.1578).

NMR Residual Solvent Calculator

The site commonorganicchemistry.com offers an "NMR Residual Solvent(s) Calculator" spreadsheet, which contains a useful example.

Additional Information on Solvents by qNMR

Other useful articles with regard to solvents:

• Gottlieb, H. E.; Kotlyar, V.; Nudelman, A. NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities. J. Org. Chem. 1997, 62, 7512-7515; DOI: 10.1021/jo971176v.
• Babij, N. R.; McCusker, E. O.; Whiteker, G. T.; Canturk, B.; Choy, N.; Creemer, L. C.; Amicis, C. V. D.; Hewlett, N. M.; Johnson, P. L.; Knobelsdorf, J. A.; Li, F.; Lorsbach, B. A.; Nugent, B. M.; Ryan, S. J.; Smith, M. R.; Yang, Q. NMR Chemical Shifts of Trace Impurities: Industrially Preferred Solvents Used in Process and Green Chemistry. Organic Process Research & Development 2016, 20, 661-667; DOI: 10.1021/acs.oprd.5b00417.
  
  

qHNMR of Fatty Acids and Their Derivatives

"The Lipid Library" provides much resources on the NMR spectroscopy of fatty acids, including qHNMR of fats and oils.

Potential Applications of qNMR

Reported areas of application of the qNMR toolbox include, but are not limited to,

• Drug Discovery
• Drug Development
• Quality Control
• Natural Products Chemistry
• Reference Substances
• Herbal Dietary Supplement Research
• Phytopharmacy
• Pharmaceutical Analysis
• Regulatory Affairs