Analytical methods | ||
---|---|---|
Comparative study | #1 | |
Chromatography | LC | |
Ion source | ESI | |
Positive/Negative mode | positive | |
Mass analyzer | Q-Orbitrap | |
Identification level | MS/MS |
Sample information | ||
---|---|---|
Comparative study | #1 | |
Country | Poland | |
Specimen | serum | |
Marker function | diagnosis | |
Participants(Case) | Cancer type | adenocarcinoma, squamous cell carcinoma |
Stage | I, II | |
Number | 50 | |
Gender (M,F) | 28, 22 | |
Mean age (range) (M,F) | 65 (53-86) | |
Smoking status | – | |
Participants(Control) | Type | healthy |
Number | 25 | |
Gender (M,F) | 14, 11 | |
Mean age (range) (M,F) | 64 (50-78) | |
Smoking status | – |
Data processing and metabolite identification | |
---|---|
Data processing software | MZmine 2.19 software |
Database search | HMDB, mzCloud |
Statistical analysis | |
---|---|
Differential analysis method | t-test |
Classification method | ROC curve analysis (Monte-Carlo cross validation) |
Survival analysis method | – |
Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
---|---|---|---|---|---|---|---|
carnitine | V | – | – | 1.12 | 2.49e-03 | 0.02 | – |
leucine | V | – | – | 0.90 | 6.12e-03 | 0.04 | – |
histidine | V | – | – | 0.90 | 1.27e-03 | 0.01 | – |
tyrosine | – | – | – | 0.89 | 2.66e-03 | 0.02 | – |
tyrosine | – | – | – | 0.88 | 2.20e-04 | 3.18e-03 | – |
tyrosine | V | – | – | 0.87 | 7.00e-05 | 1.30e-03 | – |
tyrosine | – | – | – | 0.85 | 6.30e-04 | 6.68e-03 | – |
methionine | – | – | – | 0.84 | 4.27e-03 | 0.03 | – |
methionine | V | – | – | 0.83 | 1.21e-03 | 0.01 | – |
methionine | – | – | – | 0.82 | 7.90e-04 | 7.94e-03 | – |
malic acid | V | – | – | 0.81 | 4.90e-04 | 5.65e-03 | – |
5-oxo-l-proline | V | – | – | 0.79 | 3.50e-04 | 4.54e-03 | – |
5-oxo-l-proline | – | – | – | 0.78 | 1.26e-03 | 0.01 | – |
tyrosine | – | – | – | 0.78 | 1.26e-03 | 0.01 | – |
propionylcarnitine | V | – | – | 0.77 | 2.21e-03 | 0.02 | – |
thiomorpholine 3-carboxylate | V | – | – | 0.72 | 4.50e-04 | 5.53e-03 | – |
valerylcarnitine | V | – | – | 0.66 | 5.00e-05 | 1.03e-03 | – |
alpha-N-phenylacetyl-L-glutamine | V | – | – | 0.58 | 1.10e-03 | 0.01 | – |
1-amino-propan-2-ol | V | – | – | 0.57 | 4.00e-05 | 8.70e-04 | – |
Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
---|---|---|---|---|---|---|
carnitine | V | – | 0.656 (0.511–0.776) | 0.52 | 0.76 | – |
leucine | V | – | 0.628 (0.494–0.765) | 0.65 | 0.6 | – |
histidine | V | – | 0.687 (0.549–0.813) | 0.56 | 0.68 | – |
tyrosine | – | – | – | – | – | – |
tyrosine | – | – | – | – | – | – |
tyrosine | V | – | 0.681 (0.545–0.799) | 0.58 | 0.72 | – |
tyrosine | – | – | – | – | – | – |
methionine | – | – | – | – | – | – |
methionine | V | – | 0.685 (0.541–0.795) | 0.6 | 0.68 | – |
methionine | – | – | – | – | – | – |
malic acid | V | – | 0.717 (0.599–0.843) | 0.71 | 0.64 | – |
5-oxo-l-proline | V | – | 0.705 (0.560–0.813) | 0.63 | 0.72 | – |
5-oxo-l-proline | – | – | – | – | – | – |
tyrosine | – | – | – | – | – | – |
propionylcarnitine | V | – | 0.727 (0.598–0.837) | 0.67 | 0.72 | – |
thiomorpholine 3-carboxylate | V | – | 0.734 (0.588–0.853) | 0.75 | 0.68 | – |
valerylcarnitine | V | – | 0.754 (0.616–0.865) | 0.71 | 0.68 | – |
alpha-N-phenylacetyl-L-glutamine | V | – | 0.731 (0.608–0.835) | 0.56 | 0.8 | – |
1-amino-propan-2-ol | V | – | 0.799 (0.686–0.892) | 0.71 | 0.76 | – |