Analytical methods | ||
---|---|---|
Comparative study | #1 | |
Chromatography | GC | |
Ion source | EI | |
Positive/Negative mode | – | |
Mass analyzer | quadrupole | |
Identification level | – |
Sample information | ||
---|---|---|
Comparative study | #1 | |
Country | Italy | |
Specimen | exhaled breath (air) | |
Marker function | – | |
Participants(Case) | Cancer type | adenocarcinoma, squamous cell carcinoma |
Stage | – | |
Number | 20 | |
Gender (M,F) | 13, 7 | |
Mean age (range) (M,F) | 67 ± 9 | |
Smoking status | former, current, non-smoker | |
Participants(Control) | Type | other lung diseases |
Number | 10 | |
Gender (M,F) | 4, 6 | |
Mean age (range) (M,F) | 64 ± 7 | |
Smoking status | former, current, non-smoker |
Data processing and metabolite identification | |
---|---|
Data processing software | GC-MS solutions software |
Database search | NIST 127, NIST 147 |
Statistical analysis | |
---|---|
Differential analysis method | Kruskal-Wallis rank test, PLS-DA |
Classification method | – |
Survival analysis method | – |
Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
---|---|---|---|---|---|---|---|
1-decanol, 2-methyl- | V | – | – | – | 0.96 | – | – |
octane, 2,2,6-trimethyl- | V | – | – | – | 0.94 | – | – |
decane, 3,7-dimethyl- | V | – | – | – | 0.91 | – | – |
2-butanone | V | – | – | – | 0.89 | – | – |
1-hexanol, 2-ethyl- | V | – | – | – | 0.89 | – | – |
undecane | V | – | – | – | 0.83 | – | – |
pentane, 1-(1-ethoxyethoxy)- | V | – | – | – | 0.79 | – | – |
4-heptanone | V | – | – | – | 0.70 | – | – |
acetic acid, (acetyloxy)- | V | – | – | – | 0.62 | – | – |
bicyclo[3.1.0]hexane, 4-methyl-1-(1-methylethyl)-, didehydro deriv | V | – | – | – | 0.42 | – | – |
cyclohexanone | V | – | – | – | 0.41 | – | – |
thiophene | V | – | – | – | 0.32 | – | – |
thymol | V | – | – | – | 0.28 | – | – |
ethanol | V | – | – | – | 0.23 | – | – |
hexanal, 2,2-dimethyl- | V | – | – | – | 0.07 | – | – |
butanoic acid, ethyl ester | V | – | – | – | 0.07 | – | – |
butane, 1,1-diethoxy-3-methyl- | V | – | – | – | 0.04 | – | – |
Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
---|---|---|---|---|---|---|
1-decanol, 2-methyl- | V | – | – | – | – | – |
octane, 2,2,6-trimethyl- | V | – | – | – | – | – |
decane, 3,7-dimethyl- | V | – | – | – | – | – |
2-butanone | V | – | – | – | – | – |
1-hexanol, 2-ethyl- | V | – | – | – | – | – |
undecane | V | – | – | – | – | – |
pentane, 1-(1-ethoxyethoxy)- | V | – | – | – | – | – |
4-heptanone | V | – | – | – | – | – |
acetic acid, (acetyloxy)- | V | – | – | – | – | – |
bicyclo[3.1.0]hexane, 4-methyl-1-(1-methylethyl)-, didehydro deriv | V | – | – | – | – | – |
cyclohexanone | V | – | – | – | – | – |
thiophene | V | – | – | – | – | – |
thymol | V | – | – | – | – | – |
ethanol | V | – | – | – | – | – |
hexanal, 2,2-dimethyl- | V | – | – | – | – | – |
butanoic acid, ethyl ester | V | – | – | – | – | – |
butane, 1,1-diethoxy-3-methyl- | V | – | – | – | – | – |