Fig. 1
Principal component analysis (PCA) of integrated datasets of 1H-NMR and GC–MS/SPME data at T0. a PC score plot. b Loading plot. The first two components explained 47% of the total variance. In green and red circles are represented EP (early progressors, not responders) and LR (long responders) patients, respectively. a Red, early progressors (EPs); green, long responders (LRs). b 1: 1-butanol; 2: 1-hexanol; 3: 1-pentanol; 4: 2,6-dimethyl 4 heptanone; 5: 2-butanone; 6: 2-heptanone; 7: 2-hexanol; 8: 2-nonanone; 9: 2-octanol; 10: 2-octanone; 11: 2-pentanone; 12: 6-methyl-5-hepten-2-one; 13: benzaldehyde; 14: benzeneacetaldehyde; 15: cis-2,6-dimethyl-2,6-octadiene; 16: dimethyl disulfide; 17: dodecane; 18: indole; 19: methyl isobutyl ketone; 20: p-cresol; 21: tridecane; 22: Bile salt 1; 23: Bile salt 2; 24: U1; 25: 2-hydroxy-3-methylbutyric acid 26: U2; 27: valeric acid; 28: isovaleric acid; 29: leucine; 30: valine; 31: isoleucine; 32: U3; 33: 2-oxoisovaleric acid; 34: ethanol; 35: lactic acid; 36: acetoin; 37: 2-aminoisobutyrate; 38: alanine; 39: butyric acid; 40: lysine 41: acetic acid; 42: N-acetyl-moieties; 43: propionic acid; 44: glutamic acid; 45: succinic acid; 46: U4; 47: methionine; 48: aspartic acid; 49: trimethylamine (TMA); 50: 2-oxoglutarate; 51: malonic acid; 52: U5; 53: choline; 54: taurine; 55: methanol; 56: glycine; 57: b-arabinose; 58: b-galactose; 59: b-xylose; 60: b-glucose; 61: U6; 62: uracil; 63: orotic acid; 64: U7; 65: fumaric acid; 66: tyrosine; 67: phenylalanine; 68: U8; 69: formic acid; 70: nicotinic acid