FIGURE 8.

Potential of benchtop NMR spectroscopy to make NMR metabolomics more accessible in a clinical context. (A) Typical benchtop NMR spectrometer (B) 2D ¹H–¹H COSY NMR of type 2 diabetes urinary profile acquired at 60 MHz using a benchtop NMR spectrometer. Creatinine blue squares represent the long-range connectivity cross-peak for this metabolite. Blue squares labelled A represent unassigned, unusual doublet resonances arising from ‘mirroring’ spectral signal located at δ = 5.13–5.29 ppm (in this case, reflecting the α-glucose cross-peak). (C) Principal component analysis (PCA) scores plot of PC2 (17.04% of total variance) versus PC1 (64.94% of total variance) for a preliminary investigation of distinctions between healthy control and type 2 diabetic cohorts, and also potential sample outliers. Colour codings: blue, urine samples collected from healthy controls; green, those from type 2 diabetes participants. The black points represent scores plot centroids for the two groups explored. PCA was performed using XLSTAT2014 software, and the dataset was TSP-normalised, generalised logarithmically (glog)-transformed and Pareto-scaled prior to analysis. (A) Courtesy of Magritek GmbH. (B) Reproduced from (Leenders et al., 2020) under Creative Commons Attribution 4.0 International License. (C) Reproduced from (Percival et al., 2018) under Creative Commons Attribution 4.0 International License.