Table 3.
Summary of influential metabolites for discriminating NMR spectra of liver, plasma, fecal extracts and urine
| Metabolites | Chemical shift and multiplicity | HBF controls | HBF+L. paracsei | HBF+L. rhamnosus |
|---|---|---|---|---|
| Liver | QY2=21%, RX2=44% | QY2=41%, RX2=37% | ||
| Leu | 0.92(t) | 2.4±0.6 | 1.7±0.3*** | 1.9±0.5* |
| Ileu | 0.94 (t) | 0.8±0.1 | 0.6±0.05*** | 0.7±0.2 |
| Lactate | 1.32(d) | 38.4±5.8 | 46.2±8.2a | 39.2±9.7 |
| Succinate | 2.41(s) | 0.2±0.1 | 1.0±0.6** | 0.7±0.3* |
| MA | 2.61(s) | 0.1±0.06 | 0.04±0.002** | 0.08±0.05 |
| TMA | 2.91 (s) | 0.2±0.04 | 0.07±0.03*** | 0.2±0.09 |
| TMAO | 3.27(s) | 10.3±2.2 | 13.1±3.7 | 18.5±8.0** |
| Gln | 2.44(m) | 0.4±0.1 | 0.3±0.1* | 0.3±0.1 |
| Glycogen | 5.38–5.45 | 3.4±1.9 | 1.5±0.6* | 3.2±1.9 |
| Plasma | QY2=44%, RX2=50% | QY2=51%, RX2=32% | ||
| Lipoproteins | 0.84 (m) | 13.7±1.8 | 10.1±0.9*** | 9.8±4.2** |
| Citrate | 2.65(d) | 1.4±0.3 | 0.9±0.4** | 1.1±0.2** |
| Choline | 3.2(s) | 11.6±2.6 | 16.2±5.7* | 20.5±3.8*** |
| GPC | 3.22(s) | 44.1±4.6 | 57.3±12.5** | 68.1±11.2*** |
| Glyceryls | 3.91(m) | 2.0±0.3 | 2.5±0.4** | 2.7±0.4** |
| Feces | QY2=90%, RX2=48% | QY2=89%, RX2=49% | ||
| Caprylate | 1.27(m) | 2.5±0.1 | 3.5±0.2*** | 2.4±0.1 |
| Lys | 3.00(m) | 3.2±0.8 | 5.0±0.3*** | 4.9±1.2** |
| Osides | 5.42(m) | 0.9±0.09 | 1.2±0.1*** | 1.4±0.1*** |
| Bile acids | 0.72(s) | 3.1±0.9 | 1.8±0.7** | 2.0±0.6* |
| Ethanol | 1.18(t) | 2.5±0.1 | 2.0±0.08*** | 1.9±0.09*** |
| Choline | 3.20(s) | 48.0±19.5 | 11.3±4.1*** | 20.3±10.9*** |
| NAM | 2.06(m) | 7.1±1.0 | 5.4±0.3*** | 5.5±0.3*** |
| Acetate | 1.91(s) | 58.7±34.2 | 27.0±9.2** | 32.9±12.9* |
| U1 | 3.71(s) | 9.2±0.5 | 7.3±0.3*** | 8.2±0.5*** |
| Urine | QY2=91%, RX2=47% | QY2=59%, RX2=46% | ||
| IAG | 7.55(d) | 0.1±0.03 | 0.6±0.2*** | 0.4±0.2** |
| PAG | 7.37(m) | 0.8±0.1 | 1.5±0.3*** | 1.2±0.4* |
| Tryptamine | 7.70(d) | 0.1±0.04 | 0.4±0.1*** | 0.2±0.1** |
| UGLp | 1.27(m) | 1.7±0.1 | 2.7±0.4*** | 1.7±0.2 |
| Glycero-metabolites | 4.04 (m) | 1.7±0.1 | 2.2±0.2*** | 1.9±0.2* |
| NAG | 2.04(s) | 3.5±0.2 | 4.3±0.2*** | 3.8±0.5 |
| Butyrate | 0.90(t) | 6.9±0.8 | 5.2±0.7** | 5.2±0.9** |
| α-keto-isocaproate | 0.94(d) | 13.8±4.6 | 6.1±2.3** | 7.9±2.1** |
| Propionate | 1.05(t) | 0.9±0.2 | 0.8±0.04* | 0.8±0.1 |
| 3-hydroxy-isovalerate | 1.24(s) | 3.0±0.4 | 2.1±0.4** | 2.6±0.2 |
| Citrate | 2.55(d) | 10.8±7.6 | 1.6±0.6** | 2.2±0.9* |
| Creatine | 3.92(s) | 5.7±2.1 | 4.5±1.5 | 3.5±0.3** |
| Citrulline | 1.88(m) | 3.8±0.5 | 3.3±0.4 | 3.0±0.4** |
O-PLS models were generated for comparing probiotics treated to HBF control mice using one predictive and two orthogonal components, RX2 value shows how much of the variation is explained, QY2 value represents the predictability of the models, and relates to its statistical validity. Data are presented as area normalized intensities (101 a.u.) of representative metabolite signals as means±s.d. The values for the HBF mice supplemented with probiotics were compared to HBF control mice, a, *, ** and *** indicate a significant difference at 90, 95, 99 and 99.9% confidence levels, respectively.
s, singlet; d, doublet; t, triplet; q, quartet; m, multiplet; dd, doublet of doublets. For metabolite abbreviations, refer to the key in Figure 1, MA: methylamine.