Analytical methods | ||
|---|---|---|
| Comparative study | #1 | |
| Chromatography | GC | |
| Ion source | EI | |
| Positive/Negative mode | – | |
| Mass analyzer | triple quadrupole | |
| Identification level | – | |
Sample information | ||
|---|---|---|
| Comparative study | #1 | |
| Country | Pakistan | |
| Specimen | plasma | |
| Marker function | – | |
| Participants(Case) | Cancer type | adenocarcinoma, squamous cell carcinoma, SCLC, NSCLC, lung cancer |
| Stage | I, II, III | |
| Number | 96 | |
| Gender (M,F) | – | |
| Mean age (range) (M,F) | – | |
| Smoking status | – | |
| Participants(Control) | Type | healthy |
| Number | 384 | |
| Gender (M,F) | – | |
| Mean age (range) (M,F) | – | |
| Smoking status | – | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | Agilent Mass Hunter Qualitative Analysis, Mass Hunter |
| Database search | Wiley registry NIST 11, Fiehn RTL libraries |
Statistical analysis | |
|---|---|
| Differential analysis method | one way ANOVA, Turkey’s honest Significance Difference |
| Classification method | Hierarchical clustering, Partial Least Square Discrimination |
| Survival analysis method | – |
| Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
|---|---|---|---|---|---|---|---|
| palmitic acid | – | – | – | 364785.79 | 1.00e-03 | – | – |
| stearic acid | – | – | – | 357826.32 | 1.00e-03 | – | – |
| cholesterol | – | – | – | 175648.29 | 1.00e-03 | – | – |
| D-glucose | – | – | – | 111939.52 | 1.00e-03 | – | – |
| altrose | – | – | – | 51519.47 | 1.00e-03 | – | – |
| lactic acid | – | – | – | 33086.84 | 1.00e-03 | – | – |
| benzoic acid | – | – | – | 30348.34 | 1.00e-03 | – | – |
| octadecanoic acid | – | – | – | 8233.16 | 1.00e-03 | – | – |
| phosphoric acid | – | – | – | 2669.46 | 1.00e-03 | – | – |
| naphthalene | – | – | – | 38.41 | 1.00e-03 | – | – |
| 1-propene | – | – | – | 0.21 | 1.00e-03 | – | – |
| Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|
| palmitic acid | – | – | – | 96.2 | 92 | 93.1 |
| stearic acid | – | – | – | 96.2 | 92 | 93.1 |
| cholesterol | – | – | – | 96.2 | 92 | 93.1 |
| D-glucose | – | – | – | 96.2 | 92 | 93.1 |
| altrose | – | – | – | 96.2 | 92 | 93.1 |
| lactic acid | – | – | – | 96.2 | 92 | 93.1 |
| benzoic acid | – | – | – | 96.2 | 92 | 93.1 |
| octadecanoic acid | – | – | – | 96.2 | 92 | 93.1 |
| phosphoric acid | – | – | – | 96.2 | 92 | 93.1 |
| naphthalene | – | – | – | 96.2 | 92 | 93.1 |
| 1-propene | – | – | – | 96.2 | 92 | 93.1 |