Table 1.
Quantitative comparison of metabolites derived from the 1H NMR of serum samples.
| Metabolite | Chemical shift (ppm) | Component assignment | FCa | VIP score | FCb | VIP score |
|---|---|---|---|---|---|---|
| Leucine | 0.96(d) | CH2 | 0.88# | 1.39 | 1.26** | 1.56 |
| Valnine | 1.03 (d) | CH3 | 0.75## | 1.59 | 1.62** | 1.66 |
| Lactate | 1.33 (d) | CH3 | 0.70## | 1.66 | 1.27** | 1.58 |
| Alanine | 1.47(d) | CH3 | 0.73### | 1.41 | 1.51** | 1.61 |
| Arginine | 1.70 (m) | δ-CH2 | 0.75# | 1.52 | 1.49** | 1.62 |
| Lysine | 1.74 (m) | β-CH2 | 0.75## | 1.37 | — | — |
| glutamate | 2.34 (m) | γ-CH2 | 0.71## | 1.75 | 1.37* | 1.71 |
| Pyruvate | 2.38 (s) | CH3 | 0.84# | 1.38 | — | — |
| Methionine | 2.66 (m) | β-CH2 | 0.71# | 1.49 | — | — |
| N,N-dimethylglycine | 2.94 (s) | CH3 | 0.78## | 1.33 | 1.32* | 1.55 |
| Creatine | 3.03(s) | CH3 | 0.75## | 1.25 | — | — |
| Choline | 3.21 (s) | N(CH3)3 | 0.78### | 1.80 | 1.31* | 1.77 |
| Taurine | 3.25 (s) | NCH2 | 1.30### | 2.01 | 0.80** | 2.05 |
| β-glucose | 3.41 (d) | CH4 | 1.34## | 1.99 | 0.78** | 2.03 |
| Glycine | 3.56 (s) | CH2 | 1.17### | 1.66 | 0.89* | 1.51 |
| α-Glucose | 3.71 (d) | CH3 | 1.35### | 1.93 | 0.80** | 2.01 |
| phosphorylcholine | 3.31 (d) | β-CH3 | 0.76## | 1.47 | 1.48** | 1.65 |
| Glutamine | 3.77 (t) | α-CH | 1.19## | 1.82 | 0.90** | 1.66 |
| Betaine | 3.91 (s) | N(CH3)3 | 1.23# | 1.85 | 0.84** | 1.66 |
| Serine | 3.97(m) | β-CH | 0.85# | 1.21 | 1.30* | 1.57 |
| Myo-inositol | 4.06 (t) | H2 | 0.84## | 1.58 | — | — |
| Threonine | 4.25(m) | β-CH | 0.73# | 1.19 | 1.46** | 1.56 |
| Malate | 4.31(m) | CH | 0.71# | 1.56 | 1.29* | 1.37 |
| Fumarate | 6.52(s) | CH | 0.14## | 1.65 | 6.75* | 1.51 |
| Tyrosine | 6.91 (m) | H3/H5 | 0.74# | 1.26 | 1.45* | 1.38 |
| Phenylalanine | 7.33 (m) | H2/H6 | 0.73## | 1.58 | 1.69** | 1.65 |
FCa: fold change. FC >1 indicates that the amount of metabolites is higher in the model group than in the control group, and vice versa.
FCb: fold change. FC >1 indicates that the amount of metabolites is higher in the treated group than in the model group, and vice versa.
compared with control group, #p < 0.05, ##p < 0.01, ###p < 0.001; compared with model group,*p < 0.05, **p < 0.01.