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. 2022 Sep 8;12(9):845. doi: 10.3390/metabo12090845

Table 2.

The chemical shift and variation of each metabolite level among the three groups.

Chemical Shift (ppm) Metabolites CHD vs. HC PAH-CHD vs. CHD PAH-CHD vs. HC
VIP Vary p VIP Vary p VIP Vary p
0.93 Leucine ↑↑ 0.000 ↓↓ 0.000 ns
0.98 Isoleucine ↑↑ 0.000 ns 0.019
1.02 Valine ↑↑ 0.000 ↓↓ 0.006 ↑↑ 0.008
1.04 Isobutyrate ↑↑ 0.000 ns ↑↑ 0.000
1.45 Alanine ns 1.10 ↓↓ 0.000 ns
1.90 Acetate ↑↑ 0.000 ↑↑ 0.001 ↑↑ 0.000
2.32 Glutamate ↑↑ 0.000 ns ↑↑ 0.000
2.35 Pyruvate ↑↑ 0.009 ns ns
2.43 Glutamine 1.94 ↑↑ 0.000 ↓↓ 0.003 1.56 ↑↑ 0.000
2.50 Citrate ↑↑ 0.000 ↑↑ 0.007 1.04 ↑↑ 0.000
2.61 Methionine ↑↑ 0.000 ns ↑↑ 0.000
2.90 Trimethylamine ↑↑ 0.000 0.037 ↑↑ 0.000
2.98 Lysine 1.77 ↑↑ 0.000 ns 1.74 ↑↑ 0.000
3.25 GPC ↑↑ 0.005 0.024 ns
3.26 Carnitine ↑↑ 0.000 ns ↑↑ 0.000
3.36 Methanol 2.04 ↑↑ 0.000 ↓↓ 0.004 1.79 ↑↑ 0.000
3.39 Glucose 2.80 0.018 3.35 ↓↓ 0.000 1.49 ns
3.42 Acetoacetate ↑↑ 0.000 0.022 ↑↑ 0.000
3.53 Glycine 0.011 1.15 ↓↓ 0.002 ns
3.56 Threonine ↑↑ 0.002 2.19 ↑↑ 0.000 2.09 ↑↑ 0.000
3.91 Creatine ↑↑ 0.000 ns ↑↑ 0.000
3.95 Serine ↑↑ 0.000 ↑↑ 0.003 1.47 ↑↑ 0.000
4.05 Choline ↑↑ 0.001 ↓↓ 0.001 ns
4.09 Lactate 1.08 ns 2.02 ↑↑ 0.000 2.22 ↑↑ 0.000
6.87 Tyrosine ↑↑ 0.000 ns ↑↑ 0.000
7.30 Phenylalanine ↑↑ 0.000 ns ↑↑ 0.000
7.73 Histidine ↑↑ 0.000 0.019 ns
8.43 Formate ↑↑ 0.000 ↑↑ 0.000 ↑↑ 0.000

Notes: the variation in metabolite level: ↑ and ↓ denotes p < 0.05, ↑↑ and ↓↓ denotes p < 0.01, ns means “not significant”; only listing the values of VIP > 1. Abbreviations: PAH-CHD, pulmonary arterial hypertension associated with congenital heart disease; CHD, congenital heart disease; HC, healthy control; GPC, Glycerylphosphorylcholine; VIP, variable importance in projection.