Table 1.
Multivariate and descriptive statistics for the NMR variables that were found to be most important using the ANOVA-TP approach.
| Metabolites | ANOVA-TP (all time points) Mean SR (≥ 1.0) ± SD |
Mean contents of metabolites ± SD | ANOVA-TP T0/T1 (mean SR (≥ 1.0) ± SD) |
ANOVA-TP T0/T2 (mean SR (≥ 1.0) ± SD) |
ANOVA-TP T0/T3 (mean SR (≥ 1.0) ± SD) |
ANOVA-TP T1/T3 (mean SR (≥ 1.0) ± SD) |
|||
|---|---|---|---|---|---|---|---|---|---|
| T0 | T1 | T2 | T3 | ||||||
| Valine | 1.5 ± 0.8 | 27.26 ± 6.44 | 31.31 ± 4.51 | 31.70 ± 5.39 | 38.63 ± 5.23 | 2.4 ± 1.4 | 1.3 ± 0.8 | ||
| Alanine | 2.6 ± 1.3 | 53.49 ± 11.10 | 58.78 ± 15.36 | 76.72 ± 17.16 | 78.87 ± 17.06 | 2.1 ± 0.7 | 2.0 ± 0.8 | ||
| Methionine | 1.9 ± 0.8 | 9.57 ± 1.29 | 11.80 ± 2.26 | 12.72 ± 2.10 | 12.75 ± 1.69 | 1.3 ± 0.7 | 2.4 ± 0.9 | 2.2 ± 0.9 | |
| Pyruvate | 1.6 ± 0.6 | 18.00 ± 6.89 | 9.79 ± 4.28 | 6.86 ± 2.16 | 8.63 ± 3.67 | 1.6 ± 1.5 | 3.4 ± 1.6 | 3.1 ± 1.1 | |
| Glutamine | 1.5 ± 0.7 | 56.47 ± 6.29 | 61.20 ± 8.85 | 70.91 ± 12.40 | 73.86 ± 10.25 | 1.3 ± 0.6 | 2.1 ± 0.7 | 1.6 ± 0.8 | |
| Citrate | 1.8 ± 1.0 | 12.74 ± 3.82 | 8.21 ± 3.00 | 8.26 ± 1.60 | 8.88 ± 1.77 | 1.1 ± 0.8 | 2.5 ± 1.4 | 1.6 ± 0.8 | |
| Creatinine | 3.9 ± 2.5 | 66.75 ± 27.50 | 39.57 ± 15.74 | 34.08 ± 18.03 | 25.56 ± 4.81 | 1.5 ± 0.8 | 1.5 ± 1.0 | 3.2 ± 1.6 | 1.1 ± 0.4 |
| GPC + APC | 1.6 ± 0.7 | 23.40 ± 6.93 | 36.98 ± 11.47 | 36.68 ± 7.81 | 38.51 ± 6.45 | 1.3 ± 0.6 | 2.5 ± 1.3 | 3.1 ± 2.1 | |
| Mannitol | 1.3 ± 1.0 | 37.53 ± 9.57 | 54.32 ± 20.98 | 43.00 ± 16.08 | 33.10 ± 4.53 | 1.1 ± 0.4 | |||
| myo-Inositol | 2.0 ± 1.0 | 15.17 ± 5.50 | 11.17 ± 5.00 | 8.65 ± 3.47 | 5.89 ± 2.22 | 1.4 ± 0.8 | 3.3 ± 1.3 | 1.4 ± 0.7 | |
| Lactate | 10.8 ± 26.8 | 152.16 ± 49.37 | 95.88 ± 24.85 | 121.44 ± 36.64 | 145.22 ± 36.47 | 1.5 ± 1.0 | 1.4 ± 0.7 | ||
| Glucose | 3.2 ± 5.3 | 63.80 ± 30.13 | 100.86 ± 41.23 | 109.42 ± 37.96 | 101.70 ± 21.66 | 1.1 ± 0.6 | 1.4 ± 0.6 | 1.8 ± 1.0 | |
| Histidine | 1.0 ± 0.5 | 2.55 ± 0.96 | 0.78 ± 1.12 | 0.70 ± 1.12 | 0.92 ± 1.50 | 3.0 ± 1.7 | 2.3 ± 1.3 | 1.7 ± 1.4 | |
| Hippurate | 2.2 ± 0.9 | 14.43 ± 8.88 | 3.03 ± 2.31 | 3.11 ± 0.62 | 3.88 ± 1.04 | 1.6 ± 0.8 | 1.8 ± 0.6 | 1.6 ± 0.5 | |
| Adenine | 1.6 ± 1.0 | 4.56 ± 3.60 | 1.04 ± 0.39 | 1.16 ± 0.41 | 1.44 ± 0.48 | 1.1 ± 0.4 | |||
| Leucine | 30.06 ± 6.39 | 34.07 ± 5.46 | 31.74 ± 5.52 | 36.02 ± 4.48 | 1.0 ± 0.8 | ||||
| 3-Metyl-2-oxovaleratte | 4.18 ± 0.69 | 3.31 ± 0.60 | 3.50 ± 1.11 | 4.38 ± 0.72 | 2.1 ± 1.7 | 2.0 ± 1.0 | |||
| Choline | 17.65 ± 4.25 | 12.59 ± 3.01 | 13.42 ± 3.04 | 16.38 ± 2.79 | 1.4 ± 0.8 | 1.1 ± 0.8 | |||
| Tyrosine | 5.39 ± 0.99 | 7.21 ± 2.19 | 7.72 ± 2.22 | 8.13 ± 2.02 | 1.0 ± 0.6 | 1.3 ± 0.7 | 2.1 ± 1.1 | ||
| 3-Hydroxy isobutyrate | 3.66 ± 0.95 | 4.54 ± 1.47 | 3.95 ± 1.41 | 3.40 ± 0.75 | 1.1 ± 0.7 | ||||
| Acetone | 4.10 ± 2.27 | 5.41 ± 2.67 | 4.29 ± 2.21 | 3.24 ± 0.89 | 1.1 ± 0.4 | ||||
| Propylene glycol | 3.88 ± 0.89 | 3.52 ± 0.48 | 3.72 ± 1.03 | 4.48 ± 0.88 | 1.1 ± 0.5 | ||||
| Succinate | 3.54 ± 1.71 | 6.29 ± 3.50 | 7.00 ± 2.93 | 4.90 ± 2.50 | 1.5 ± 0.8 | ||||
| Betaine | 11.46 ± 2.87 | 13.48 ± 2.17 | 14.40 ± 2.21 | 12.48 ± 2.35 | 1.7 ± 1.1 | ||||
Bootstrapping was used to estimate the mean selectivity ratio (SR) ± standard deviation (SD) for each metabolite. The mean SR values ± SD of the pairwise models are only listed for those metabolites that had P-values lower than 0.05.