Fig. 2
Univariate and multivariate statistical analyses of spectra data derive from tumor of primary cancer (PC), the first generation of patient-derived patients (PDXG1) and the third generation of patient-derived patients (PDXG3). Figure 2A&E. The scores plot of principal component analysis (PCA) of 1H NMR spectral data derived from PC vs. PDXG1 (A), and from PDXG1 vs. PDXG3 (E). Figure 2B&F. The scores plot of orthogonal partial least squares discriminant analysis (OPLS-DA) of 1H NMR spectral data derived from PC vs. PDXG1 (B), and from PDXG1 vs. PDXG3 (F). Figure 2C&G. The response permutation test of OPLS-DA model of PC vs. PDXG1 (C) and PDXG1 vs. PDXG3 (G). R2 and Q2 indicate the fitness and predictive performance of the established model. Figure 2D&H. The volcano plots of discriminative metabolites of PC and PDXG1 (D), and PDXG1 vs. PDXG3 (H). Each dot represents a metabolite. The color of dots represents the absolute value of Pcorr and the size of dot represents the value of VIP. 1-MH: 1-Methylhistidine; DU: 2-Deoxyuridine; 2-HB: 2-Hydroxybutyrate; 3-HB: 3-Hydroxybutyrate; MC: 5-Methylcytidine; Ala: Alanine; Asp: Aspartate; Bet: Betaine; Ci: Citrate; Cr: Creatine; Cyd: Cytidine; Eth: Ethanol; EA: Ethanolamine; Glu: Glutamate; Gln: Glutamine; GSH: Glutathione; G: Glycerol; GPC: Glycerophosphocholine; Gly: Glycine; GA: Guanidoacetate; His: Histidine; HX: Hypoxanthine; IB: Isobutyrate; Ile: Isoleucine; Lac: Lactate; Leu: Leucine; Lys: Lysine; Met: Methionine; MA: Methylamine; MIB: Methyl isobutyrate; MM: Methylmalonate; NA: Nicotinamide; NAD: Nicotinamide adenine dinucleotide; Pan: Pantothenate; PCho: Phosphocholine; Py: Pyruvate; Suc: Succinate; Sph: Sphignosine; Tau: Taurine; Trp: Tryptophan; Tyr: Tyrosine; Ura: Uracil; Val: Valine; Xan: Xanthine; α-glu: α-Glucose; β-glu: β-Glucose