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Updated: Jul 4, 2025

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
Published on: July 31, 2021
Spatially encoded pure-shift diffusion-ordered NMR spectroscopy yielded by chirp excitation.
Rituraj Mishra1, Jonathan R J Yong2, Corentin Jacquemmoz1
1Nantes Université, CNRS, CEISAM UMR6230, F-44000 Nantes, France.
Spatially-encoded diffusion-ordered NMR spectroscopy (SPEN-DOSY) offers faster analysis of molecular mixtures. A novel adaptation using Pure Shift Yielded by CHirp Excitation (PSYCHE)-iDOSY with echo planar spectroscopic imaging (EPSI) improves separation of complex mixtures.
Area of Science:
- Analytical Chemistry
- Nuclear Magnetic Resonance (NMR) Spectroscopy
Background:
- Spatially-encoded diffusion-ordered NMR spectroscopy (SPEN-DOSY) provides time-efficient analysis of small molecule mixtures.
- Conventional SPEN-DOSY struggles with overlapping peaks in 1H spectra, hindering diffusion coefficient extraction.
- Pure Shift Yielded by CHirp Excitation (PSYCHE)-iDOSY addresses peak overlap but can be time-consuming.
Purpose of the Study:
- To adapt the PSYCHE-iDOSY sequence for SPEN-DOSY acquisition using echo planar spectroscopic imaging (EPSI).
- To enhance the separation of complex mixtures by combining the benefits of SPEN-DOSY and PSYCHE.
- To enable accurate diffusion coefficient extraction even with spectral overlap.
Main Methods:
- Implementation of the PSYCHE-iDOSY sequence with EPSI for SPEN-DOSY data acquisition.
- Utilizing the pure shift mode of PSYCHE to resolve overlapping spectral components.
- Applying a modified Stejskal-Tanner equation for diffusion coefficient determination.
Main Results:
- Successful acquisition of SPEN-DOSY data using the adapted PSYCHE-iDOSY-EPSI sequence.
- Demonstrated ability to separate overlapped spectral components effectively.
- Accurate extraction of diffusion coefficients for individual components in complex mixtures.
Conclusions:
- The adapted PSYCHE-iDOSY-EPSI sequence offers a significant advancement in analyzing complex mixtures using SPEN-DOSY.
- This method provides improved spectral resolution and accurate diffusion measurements.
- The technique shows potential for faster and more effective separation of complex mixtures compared to existing methods.
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