Fast two-dimensional NMR methods for Enhanced Molecular Characterisation of Complex Biological Mixtures

PhD defence by Pia Susan Mayer

Assessment Committee

• Professor Morten Arendt Rasmussen, Food Science, University of Copenhagen (Chairperson)
• Professor Daniel Topgaard, Lund University
• Highfield NMR SRF, Lead, Manager Marie M Phelan, University of Liverpool

Supervisors

• Professor Søren Balling Engelsen
• Associate Professor Bekzod Khakimov

Department

Department of Food Science

Place

Building: Frederiksberg Campus, Room: Aud. A2-81.01, Thorvaldsensvej 40, 1871 Frederiksberg

Email address to gain access to the thesis: pia.mayer@food.ku.dk.
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Short description of the thesis

This thesis investigates the application of fast and ultrafast two-dimensional (2D) NMR spectroscopy for metabolomics and foodomics of complex biological matrices. Compared with conventional one-dimensional (1D) ¹H NMR, 2D NMR improves spectral resolution, reduces peak overlap, and provides additional structural information for metabolite annotation. Fast methods including ultrafast and non-uniform sampling were evaluated in wine analysis, demonstrating improved metabolite discrimination and identification. Advanced decomposition and shift-invariant approaches enabled improved analysis of overlapping signals. Overall, data processing, automation, and standardisation represent key challenges for broader 2D NMR implementation.