Table 2 OPLS-DA-derived VIP-plot detected chemical shifts responsible for the separation of 1D 1H NMR spectral data of 8 h fasted plasma samples from obese controls (n = 50) and obese T2DM (n = 50) patients.

From: Pre-diagnostic biomarkers of type 2 diabetes identified in the UAE’s obese national population using targeted metabolomics

Metabolite name

Chemical shift (δ) and type

P-value (Increased ↑) or (decreased ↓)

β-hydroxybutyrate

1.18 (d)

0.009 (↑)

Acetate

1.9 (s)

0.042 (↓)

TMAO

3.26 (s)

2.61E-06 (↑)

Taurine

3.4 (t)

0.004 (↑)

d-Glucose

3.46 (m), 3.38 (m), 3.62 (d), 3.82 (m), 3.72 (m)

7.49E-12 (↑)

Leucine

1.7 (m), 3.7 (m)

0.003 (↑)

Isoleucine

3.66 (d), 0.98 (d)

4.36E−10 (↑)

1, 3, 7-Trimethyl uric acid

3.34 (s), 3.39 (s)

0.002 (↑)

Glycerol

3.58 (dd)

6.27E−07 (↑)

TMAO

3.26 (s)

2.61E−06 (↑)

Thymidine

3.7 (m), 4.01 (q)

0.004 (↑)

Alanine

1.46 (d), 3.75 (q)

7.98E−12 (↓)

Cholesterol

0.86 (dd), 0.90 (d), 1.82 (d), 1.32(s), 1.5 (s)

0.017 (↓)

Malonate

3.1 (s)

0.019 (↑)

α-Lactate

4.1 (m), 1.3 (m)

0.026 (↓)

Hexanoylcarnitine

0.86 (t)

0.037 (↓)

Uridine

4.34 (dd)

0.018 (↓)

Cholesterol sulfate

0.66 (m), 0.94 (m), 1.78 (m)

0.036 (↓)

Uric acid

3.1 (t)

0.031 (↑)

  1. Chemical shift order based on VIP score larger than 1; from highest value to lowest. Plasma samples were collected, and metabolites were extracted for NMR analysis as described in methods. Chemical shifts were statistically compared by means of a student’s t-test. (s) Singlet, (d) Doublet, (dd) Double Doublet, (t) Triplet, (m) Multiple, (q) Quadruplet. Values that differ significantly from controls are shown: *P < 0.05; **P < 0.01; ***P < 0.001. (↑) Increased, (↓) Decreased; in obese T2DM samples compared to obese controls.