Table 3.
List of the 14 biomarkers of foie gras technological yield identified with the bucket method.
| Metabolites | 1H-NMR peakγ | Chemical shiftδ (ppm) | number of buckets with VIP > 1ε | BH p-valueζ | BH p-value 2η |
|---|---|---|---|---|---|
| Carbohydrate | |||||
| Glucose | <0.001 | ||||
| HMDB0000122 | quartet | 3.22.25 | 4 | <0.001 to 0.005 | |
| singlet | 3.38 | 1 | <0.001 | ||
| doublet | 3.39 | 2 | <0.001 | ||
| doublet | 3.40–3.41 | 1 | <0.001 | ||
| singlet | 3.42 | 1 | <0.001 | ||
| doublet | 3.43–3.44 | 2 | <0.001 | ||
| quartet | 3.45–3.46 | 3 | <0.001 | ||
| quartet | 3.46 | 1 | <0.001 | ||
| singlet | 3.48 | 1 | <0.001 | ||
| singlet | 3.49 | 3 | <0.001 to 0.030 | ||
| doublet | 3.51–3.52 | 3 | <0.001 to 0.050 | ||
| doublet | 3.53–3.54 | 4 | <0.001 to 0.050 | ||
| quartet | 3.69–3.71 | 4 | <0.001 to 0.030 | ||
| multiplet | 3.72–3.77 | 7 | <0.001 | ||
| doublet | 3.80–3.81 | 2 | <0.001 | ||
| singlet | 3.82 | 2 | <0.001 | ||
| doublet | 3.82–3.83 | 3 | <0.001 | ||
| doublet | 3.84–3.85 | 4 | <0.001 | ||
| doublet | 3.87–3.88 | 2 | <0.001 | ||
| doublet | 3.89–3.90 | 2 | <0.001 | ||
| doublet | 4.63–4.64 | 0 | |||
| doublet | 5.22 | 2 | <0.001 | ||
| Glucose-6-phosphate | 0.490 | ||||
| HMDB0001401 | multiplet | 3.26–3.28 | 4 | <0.001 to 0.080 | |
| multiplet | 3.47–3.51 | 7 | <0.001 to 0.030 | ||
| multiplet | 3.55–3.59 | 4 | 0.005 to 0.040 | ||
| triplet | 3.70–3.73 | 4 | <0.001 | ||
| doublet | 3.87–3.88 | 2 | <0.001 | ||
| multiplet | 3.90–3.94 | 2 | <0.001 to 0.020 | ||
| triplet | 3.98–4.00 | 3 | <0.001 to 0.020 | ||
| multiplet | 4.02–4.05 | ||||
| doublet | 4.63–4.64 | 0 | |||
| singlet | 5.22 | 2 | <0.001 | ||
| Glyceric acid | <0.001 | ||||
| HMDB0000139 | multiplet | 3.72–3.84 | 11 | <0.001 | |
| multiplet | 4.12–4.14 | 2 | <0.001 to 0.050 | ||
| Glycogen | 0.011 | ||||
| HMDB0000757 | singlet | 3.83 | 4 | <0.001 | |
| singlet | 5.39 | 2 | 0.001 to 0.007 | ||
| Lactate | <0.001 | ||||
| HMDB0000190 | doublet | 1.31–1.32 | 2 | <0.001 | |
| quartet | 4.08–4.13 | 5 | <0.001 to 0.050 | ||
| Maltose | <0.001 | ||||
| HMDB0000163 | singlet | 5.4 | 2 | 0.001 to 0.007 | |
| doublet | 5.22–5.23 | 2 | <0.001 | ||
| doublet | 3.96–3.98 | 2 | <0.001 to 0.020 | ||
| doublet | 3.93–3.94 | ||||
| doublet | 3.89–3.92 | 3 | <0.001 | ||
| multiplet | 3.87–3.81 | 5 | <0.001 | ||
| multiplet | 3.74–3.79 | 5 | <0.001 | ||
| multiplet | 3.69–3.73 | 7 | <0.001 to 0.030 | ||
| quartet | 3.65–3.68 | 4 | <0.001 to 0.030 | ||
| singlet | 3.63 | 1 | 0.010 | ||
| multiplet | 3.60–3.55 | 4 | 0.005 to 0.040 | ||
| triplet | 3.39–3.43 | 5 | <0.001 | ||
| quartet | 3.28–3.25 | 5 | <0.001 to 0.080 | ||
| Amino acids | |||||
| Arginine | 0.490 | ||||
| HMDB0000517 | multiplet | 1.60–1.75 | 1 | 0.002 | |
| multiplet | 1.87–1.93 | 0 | |||
| triplet | 3.22–3.25 | 6 | <0.001 to 0.080 | ||
| triplet | 3.74–3.77 | 5 | <0.001 | ||
| Glutamic acid | 0.010 | ||||
| HMDB0000148 | quartet | 3.73–3.76 | 5 | <0.001 | |
| multiplet | 2.00–2.15 | 1 | 0.006 | ||
| singlet | 2.29 | 1 | 0.005 | ||
| singlet | 2.31 | 1 | 0.005 | ||
| doublet | 2.32–2.33 | 1 | 0.005 | ||
| doublet | 2.34 | 1 | 0.005 | ||
| doublet | 2.35–2.36 | 2 | |||
| singlet | 2.38 | 2 | <0.001 to 0.005 | ||
| singlet | 2.39 | 2 | <0.001 to 0.110 | ||
| N-acetylglycine | 0.495 | ||||
| HMDB0000532 | singlet | 8 | 0 | ||
| doublet | 3.75–3.77 | 5 | <0.001 | ||
| Proline | 0.286 | ||||
| HMDB0000162 | multiplet | 1.94–2.09 | 1 | 0.006 | |
| multiplet | 2.31–2.37 | 3 | <0.001 to 0.005 | ||
| multiplet | 3.30–3.35 | 2 | <0.001 | ||
| multiplet | 3.38–3.42 | 5 | <0.001 | ||
| multiplet | 4.11–4.13 | 3 | <0.001 to 0.050 | ||
| trans-4-hydroxy-L-proline | 0.147 | ||||
| HMDB0000725 | multiplet | 2.12–2.17 | 2 | 0.004 to 0.006 | |
| multiplet | 2.39–2.45 | 3 | <0.001 to 0.100 | ||
| doublet | 3.34–3.35 | 1 | <0.001 | ||
| singlet | 3.37 | 1 | <0.001 | ||
| singlet | 3.46 | 2 | 0.010 | ||
| doublet | 3.48–3.49 | 4 | <0.001 to 0.030 | ||
| quartet | 4.32–4.35 | 1 | 0.001 | ||
| Organic compound | |||||
| Allantoin | 0.004 | ||||
| HMDB0000462 | singlet | 5.38 | 2 | 0.001–0.007 | |
| Creatine | <0.001 | ||||
| HMDB0000064 | singlet | 3.02 | 1 | <0.001 | |
| singlet | 3.92 | 3 | <0.001–0.020 | ||
| Ethanolamine | 0.009 | ||||
| HMDB0000149 | triplet | 3.12–3.14 | 1 | <0.001 | |
| triplet | 3.80–3.82 | 3 | <0.001 | ||
For each metabolite, the nature of each 1H-NMR peak is mentioned.
For each metabolite, the range of chemical shift of each peak is mentioned in ppm.
The PLS model to describe the technological yield with bucket data was plotted. The first latent variable enabled to separate the fatty livers in function of the technological yield. The VIP of the buckets involved in the first latent were extracted. For each 1H-NMR peak of each metabolite, the number of buckets with VIP > 1 was indicated.
For each bucket, the effect of the bucket value on the technological yield was tested by a linear model with R software, and the p-values were corrected with the Benjamini–Hochberg procedure and named BH p-values. For each metabolite, the range of BH p-values of each peak was mentioned.
For each biomarker, the relative metabolite concentration was computed with the bucket data. A linear model with R software tested the effect of the relative metabolite concentration on the technological yield, and the p-values were corrected with the Benjamini–Hochberg procedure and named BH p-values 2.