Fecal metabolomic profiles: A comparative study of patients with colorectal cancer vs adenomatous polyps

Table 1 Clinical characteristics of colorectal cancer patients, adenomatous patients, and healthy controls

Code	Gender ratio M/F	Median age, yr	Range of age, yr	Tumor staging T0/T1/T2/T3/T4 (n of patients)	Diet	Race
CRC	22 M-10 F; M/F = 2, 2	72	36-85	2/6/10/6/8	Mediterranean	Caucasian
AP	9M-7F; M/F = 1, 3	59	41-79	-	Mediterranean	Caucasian
HS	28M-10F; M/F = 2,8	47	27-68	-	Mediterranean	Caucasian

AP: Adenomatous patients; CRC: Colorectal cancer; HCs: Healthy controls.

Table 2 Summary of orthogonal projections to latent structures-discriminant analysis models built fecal water spectra acquired using selective one-dimensional proton nuclear magnetic resonance pulse sequences, sensitivity (%), specificity (%) and predictive accuracy (%) assessed following 100 runs of Monte Carlo cross-validation are reported for each model

	1H NMR fecal extract spectra OPLS-DA cv models
Group (n of samples)	Pulse sequences	Sensitivity (%)	Specificity (%)	Predictive accuracy (%)
HS (38) vs AP&CRC (41)	1D noesy; CPMG	84.9	85.7	85.3
HS (38) vs AP&CRC (41)		77.5	83.8	80.5
HS (38) vs CRC (26)	1D noesy; CPMG	94.2	90.2	93.7
HS (38) vs CRC (27)		97.3	85.2	91.0
HS (38) vs AP (15)	1D noesy; CPMG	90.8	76.6	87.0
HS (38) vs AP (14)		69.0	67.6	81.1
AP (15) vs CRC (26)	1D noesy; CPMG	77.0	90.4	79.3
AP (14) vs CRC (27)		67.5	74.0	72.7

AP: Adenomatous patients; CPMG: Carr-Purcell-Meiboom-Gill; CRC: Colorectal cancer.

¹HNMR: One-dimensional proton nuclear magnetic resonance; HCs: Healthy controls; OPLS-DA: Orthogonal projections to latent structures-discriminant analysis.

Table 3 Identified pathways from fecal water metabolites

Pathway analyses fecal water samples
Fecal metabolites		Metabolites	P	Holm P	FDR	Impact
AP	Valine, leucine and isoleucine biosynthesis	Leucine, valine	8.25 × 10-4	0.069	0.069	0.0
	Aminoacyl-tRNA biosynthesis	Valine, leucine, tyrosine	0.002	0.17	0.08	0.0
	Valine, leucine and isoleucine degradation	Leucine, valine	0.02	1	0.48	0.0
	Phenylalanine, tyrosine and tryptophan biosynthesis	Tyrosine	0.02	1	0.48	0.5
CRC	Aminoacyl-tRNA biosynthesis	Phenylalanine, valine, leucine, tyrosine	2.3 × 10-4	0.019	0.01	0
	Phenylalanine, tyrosine and tryptophan biosynthesis	Phenylalanine, tyrosine	2.7 × 10-4	0.022	0.035	1
	Valine, leucine and isoleucine biosynthesis	Leucine, valine	0.0012	0.1	0.035	0.0
	Phenylalanine metabolism	Phenylalanine, tyrosine	0.0019	0.16	0.041	0.36
	Galactose metabolism	Galactose, glycerol	0.014	1.0	0.2	0.05
	Valine, leucine and isoleucine degradation	Valine, leucine	0.03	1.0	0.43	0.0

An integrated analysis based on MetaboAnalyst 4.0 software built on significantly altered metabolites in colorectal cancer (CRC); and adenomatous patients (AP): View of most contributing pathways; P is the original P value calculated from the enrichment analysis; Holm P is the P value adjusted by Holm-Bonferroni method; the false discovery rate is the P value adjusted using false discovery rate (FDR); Impact is the pathway impact value calculated from pathway topology analysis.