Table 2.
The VIP score and fold change of metabolites significantly differentially expressed categorizing by breastfeeding patterns and milk sensitization from 6 months to 1 year of age.
| Formula Feeding | p | Milk Sensitization | p | ||||
|---|---|---|---|---|---|---|---|
| Metabolites | Chemical Shift, ppm (Multiplicity a) |
VIP Score b | Fold change c | VIP Score | Fold Change | ||
| Allantoin | 5.39–5.40 (s) | 2.22 | 0.48 | 0.001 | 1.77 | 0.75 | 0.060 |
| 2-Hydroxyisobutyric acid | 1.35–1.37 (s) | 1.01 | 0.83 | 0.004 | 0.22 | 0.99 | 0.658 |
| Threonine | 4.25–4.27 (d) | 1.16 | 0.79 | 0.004 | 0.58 | 0.88 | 0.327 |
| Dimethylamine | 2.71–2.73 (s) | 0.92 | 0.85 | 0.006 | 0.48 | 1.07 | 0.321 |
| Valine | 1.04–1.05 (d) | 0.87 | 0.85 | 0.014 | 0.42 | 0.96 | 0.406 |
| Dimethyl sulfone | 3.15–3.16 (s) | 1.13 | 0.77 | 0.015 | 0.24 | 0.93 | 0.714 |
| Adipate | 1.55–1.56 (m) | 1.15 | 0.72 | 0.018 | 0.39 | 1.19 | 0.576 |
| N-Acetyltyrosine | 7.16–7.18 (d) | 1.63 | 0.51 | 0.020 | 1.56 | 0.59 | 0.114 |
| Creatine | 3.93–3.94 (s) | 1.34 | 0.75 | 0.043 | 0.92 | 0.98 | 0.325 |
| Propylene glycol | 1.14–1.15 (d) | 1.47 | 1.29 | 0.049 | 1.76 | 1.51 | 0.091 |
| Glutarate | 1.76–1.80 (tt) | 2.11 | 0.63 | <0.001 | 1.26 | 0.81 | 0.039 |
| Lysine | 1.89–1.91 (m) | 1.75 | 0.70 | <0.001 | 1.14 | 0.83 | 0.039 |
| 3-Methyl-2-oxovaleric acid | 1.10–1.11 (d) | 2.07 | 0.58 | <0.001 | 1.81 | 0.68 | 0.009 |
| N-Phenylacetylglycine | 7.41–7.45 (s) | 2.54 | 0.38 | <0.001 | 2.59 | 0.43 | 0.005 |
| N,N-Dimethylglycine | 2.93–2.93 (s) | 1.66 | 1.52 | 0.001 | 1.94 | 1.44 | 0.004 |
| 3-Indoxysulfate | 7.50–7.52 (d) | 2.06 | 0.45 | 0.003 | 2.25 | 0.48 | 0.024 |
| 2-Oxoglutaric acid | 3.00–3.01 (t) | 1.32 | 1.45 | 0.008 | 1.95 | 1.56 | 0.004 |
| Pantothenate | 0.93–0.94 (d) | 1.04 | 0.81 | 0.010 | 1.17 | 0.85 | 0.039 |
| Fumarate | 6.52–6.53 (s) | 1.58 | 1.41 | 0.054 | 2.41 | 1.55 | 0.033 |
a Multiplicity, s, singlet; d, doublet; m, multiplet; t, triplet; tt, triplet of triplets. One of the proton assignments of the metabolite without signal overlapping was selected and the integral of selected peak was presented as a range of chemical shift. b VIP score were obtained from PLS-DA. c Fold change was calculated by dividing the value of metabolites in children with formula feeding by breastfeeding, and with by without milk sensitization from 6 months to 1 year of age (1 y/6 m). All FDR-adjusted p values < 0.05, which is in bold, are significant. VIP, Variable Importance in Projection.