Original Article
Copyright ©2014 Baishideng Publishing Group Co.
World J Gastroenterol. Jan 7, 2014; 20(1): 163-174
Published online Jan 7, 2014. doi: 10.3748/wjg.v20.i1.163
Figure 1
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Figure 1 Median 600 MHz proton nuclear magnetic resonance noesy spectra of serum samples. A: Healthy control subjects; B: Patients with inflammatory bowel diseases. 1: Lipids LDL CH3-(CH2)n-; 2: Lipids VLDL CH3-(CH2)n-; 3: Leucine; 4: Isoleucine; 5: Valine; 6: 3-Methyl-2-oxovalerate; 7: Isobutyrate; 8: 3-Hydroxybutyrate; 9: Lipids LDL CH3-(CH2)n-; 10: Lipids VLDL CH3-(CH2)n-; 11: Lactate; 12: Threonine; 13: Alanine; 14: Lipids VLDL CH2-CH2-C=O; 15: Lysine; 16: Acetate; 17: Lipids -CH2-CH=CH-; 18: N-acetylated compounds; 19: Glutamine; 20: Lipids -CH2-C=O; 21: Acetone; 22: Acetoacetate; 23: Pyruvate; 24: Citrate; 25: Dimethylamine; 26: Lipids =CH-CH2-CH=; 27: Trimethylamine; 28: Creatine; 29: Creatinine; 30: Dimethyl sulfone; 31: Choline; 32: Phosphocholine; 33: Glycerophosphocholine; 34: α and β-Glucose; 35: Methanol; 36: Glycine; 37: β-Glucose; 38: α-Glucose; 39: Lipids -CH=CH-; 40: Urea; 41: Tyrosine; 42: 1-Methylhistidine; 43: Phenylalanine; 44: Formate.
Figure 2
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Figure 2 Median 600 MHz proton nuclear magnetic resonance noesy spectra of urine samples. A: Healthy control subjects; B: Patients with inflammatory bowel diseases. 1: 3-hydroxyisovalerate; 2: 2-hydroxyisobutyrate; 3: Alanine; 4: Acetate; 5: Acetaminophen; 6: Acetone; 7: Acetoacetate; 8: Succinate; 9: Citrate; 10: Dimethylamine; 11: Creatinine; 12: Taurine; 13: Glycine; 14: Creatine; 15: Lactate; 16: Threonine; 17: Cis-aconitate; 18: Fumarate; 19: 5-aminosialicylate; 20: Hippurate; 21: Formate; 22: Trigonelline.
Figure 3
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Figure 3 The partial least-squares-discriminant analysis score plots based on the metabolic fingerprints. A: IBD active vs control; B: IBD remission vs control; C: IBD active vs IBD remission. Boxes: Serum samples; Circles: Urine samples; Red: IBD active; Blue: IBD remission; Black: Control; IBD: Inflammatory bowel diseases.
Figure 4
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Figure 4 Receiver operating characteristic curves based on partial least-squares-discriminant analysis models for nuclear magnetic resonance spectra. A: Serum samples; B: Urine samples. Serum: Red - IBD active vs control (AUC = 0.992); Green - IBD active vs IBD remission (AUC = 0.883). Urine: Red - IBD active vs control (AUC = 0.900); Green - IBD active vs IBD remission (AUC = 0.909); Violet - IBD remission vs Control (AUC = 0.871). IBD: Inflammatory bowel diseases; AUC: Area under curves.