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Impact of the deuterium isotope effect on the accuracy of ¹³C NMR measurements of site-specific isotope ratios at natural abundance in glucose
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Impact of the deuterium isotope effect on the accuracy of ¹³C NMR measurements of site-specific isotope ratios at natural abundance in glucose
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Impact of the deuterium isotope effect on the accuracy of ¹³C NMR measurements of site-specific isotope ratios at natural abundance in glucose
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Journal Article
Impact of the deuterium isotope effect on the accuracy of ¹³C NMR measurements of site-specific isotope ratios at natural abundance in glucose
2010
Overview
The application of isotope ratio methods in authenticity and traceability relies on the accuracy and robustness of the methodology employed. An unexpected source of error has now been identified, which can introduce major and variable inaccuracies into the determination of site-specific isotope ratio measurement by quantitative ¹³C NMR spectrometry if not correctly controlled. This is the isotope chemical shift effect, which comes into play when hydrogen atoms in the target molecule enter into exchange with deuterated water present at trace levels in the deuterated solvent used as the frequency lock. Even at a level of contamination as low as 0.02%, an error of 5‰ can be introduced, fivefold the required accuracy of 1‰. How to avoid this source of error is discussed.
Publisher
Berlin/Heidelberg : Springer-Verlag,Springer-Verlag,Springer,Springer Nature B.V
Subject
/ Carbon
/ Characterization and Evaluation of Materials
/ Chemistry and Materials Science
/ Errors
/ Exact sciences and technology
/ Glucose
/ Isotope chemical shift effects
/ isotopes
/ Locks
/ Magnetic resonance spectroscopy
/ Magnetic Resonance Spectroscopy - methods
/ Monitoring/Environmental Analysis
/ NMR
/ nuclear magnetic resonance spectroscopy
/ Ratios
/ Site-specific ¹³C isotope ratio
/ Solvents
