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Citation Information
Sci Rep. 2014 Dec 8;4:7312. doi: 10.1038/srep07312.
Exhaled volatile organic compounds as lung cancer biomarkers during one-lung ventilation.
Wang C, Dong R, Wang X, Lian A, Chi C, Ke C, Guo L, Liu S, Zhao W, Xu G, Li E.
Analytical methods | |||||
|---|---|---|---|---|---|
| Comparative study | #1 | #2 | #3 | #4 | |
| Chromatography | GC | GC | GC | GC | |
| Ion source | EI | EI | EI | EI | |
| Positive/Negative mode | – | – | – | – | |
| Mass analyzer | – | – | – | – | |
| Identification level | – | – | – | – | |
Sample information | |||||
|---|---|---|---|---|---|
| Comparative study | #1 | #2 | #3 | #4 | |
| Country | China | China | China | China | |
| Specimen | exhaled breath | exhaled breath | exhaled breath | blood | |
| Marker function | diagnosis | diagnosis | diagnosis | diagnosis | |
| Participants(Case) | Cancer type | adenocarcinoma, squamous cell carcinoma, adenosquamous carcinoma | adenocarcinoma, squamous cell carcinoma, adenosquamous carcinoma | adenocarcinoma, squamous cell carcinoma, adenosquamous carcinoma | adenocarcinoma, squamous cell carcinoma, adenosquamous carcinoma |
| Stage | I, II, IV | I, II, IV | I, II, IV | I, II, IV | |
| Number | 18 | 18 | 18 | 18 | |
| Gender (M,F) | 13, 5 | 13, 5 | 13, 5 | 13, 5 | |
| Mean age (range) (M,F) | 58.67 ± 6.34 | 58.67 ± 6.34 | 58.67 ± 6.34 | 58.67 ± 6.34 | |
| Smoking status | smoker | smoker | smoker | smoker | |
| Participants(Control) | Type | preoperative contralateral vs. preoperative ipsilateral | postoperative contralateral vs. postoperative ipsilateral | before vs. after treatment (operation) | before vs. after treatment (operation) |
| Number | 18 | 18 | 18 | 18 | |
| Gender (M,F) | 13, 5 | 13, 5 | 13, 5 | 13, 5 | |
| Mean age (range) (M,F) | 58.67 ± 6.34 | 58.67 ± 6.34 | 58.67 ± 6.34 | 58.67 ± 6.34 | |
| Smoking status | smoker | smoker | smoker | smoker | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | XCMS |
| Database search | – |
Statistical analysis | |
|---|---|
| Differential analysis method | PCA, PLS-DA, OPLS-DA, Kruskal-Wallis rank sum test |
| Classification method | – |
| Survival analysis method | – |
Lung cancer-related metabolites identified in the paper
| Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
|---|---|---|---|---|---|---|---|
| cyclooctanemethanol | – | – | – | 1663.49 | 5.86e-05 | – | 1.82 |
| 2-hydroxy-iso-butyrophenone | – | – | – | 278.20 | 2.73e-04 | – | 1.18 |
| 2,2-dimethyldecane | – | – | – | 50.21 | 5.66e-04 | – | 1.33 |
| propanoic acid, 2-methyl-, 3-hydroxy-2,4, 4-trimethylpentyl ester | – | – | – | 29.45 | 2.93e-04 | – | 1.49 |
| sulfurous acid, 2-ethylhexyl nonyl ester | – | – | – | 28.64 | 1.62e-04 | – | 1.56 |
| isopropylbenzene | – | – | – | 24.08 | 3.74e-03 | – | 1.12 |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester | – | – | – | 19.16 | 1.54e-03 | – | 1.23 |
| nonane, 3-methyl-5-propyl | – | – | – | 16.45 | 6.98e-04 | – | 1.48 |
| 2,3’-bifuran, octahydro | – | – | – | 16.11 | 7.34e-03 | – | 1.13 |
| 4-methyltoluene | – | – | – | 15.45 | 5.68e-05 | – | 1.61 |
| cyclopentanone | – | – | – | 14.42 | 2.01e-04 | – | 1.35 |
| 2-butanone | – | – | – | 12.55 | 3.41e-03 | – | 1.29 |
| ethylaniline | – | – | – | 5.58 | 6.66e-03 | – | 1.30 |
| 2,3,4-trimethyldecane | – | – | – | 4.72 | 1.61e-03 | – | 1.28 |
| 3,4,5,6-tetramethyloctane | – | – | – | 4.00 | 1.33e-04 | – | 1.66 |
| 2,2-dimethyldecane | – | – | – | 3.97 | 3.76e-03 | – | 1.18 |
| tetradecane | – | – | – | 3.94 | 4.43e-04 | – | 1.47 |
| ethylene carbonate | – | – | – | 3.81 | 9.60e-03 | – | 1.11 |
| tetradecane | – | – | – | 3.78 | 2.87e-05 | – | 1.73 |
| dimethylphenylcarbinol | – | – | – | 3.46 | 4.56e-04 | – | 1.56 |
| hexadecane | – | – | – | 3.01 | 2.70e-03 | – | 1.36 |
| butyl glycol | – | – | – | 2.97 | 3.76e-03 | – | 1.19 |
| 3-phenyl-2-oxazolidinone | – | – | – | 2.55 | 1.61e-03 | – | 1.67 |
| butyl glycol | – | – | – | 2.39 | 2.70e-03 | – | 1.48 |
| benzothiazole | – | – | – | 2.35 | 1.36e-03 | – | 1.24 |
| caprolactam | V | – | – | 2.28 | 8.80e-03 | – | 1.15 |
| benzothiazole | – | – | – | 2.19 | 4.43e-03 | – | 1.20 |
| 3-methyl-4-heptanone | – | – | – | 2.10 | 1.35e-03 | – | 1.07 |
| ethylaniline | – | – | – | 2.07 | 1.61e-03 | – | 2.12 |
| ethylaniline | – | – | – | 2.01 | 9.61e-03 | – | 1.48 |
| caprolactam | V | – | – | 0.84 | 4.43e-03 | – | 1.63 |
| benzothiazole | – | – | – | 0.68 | 9.41e-04 | – | 1.44 |
| cyclooctanemethanol | – | – | – | 0.59 | 2.28e-03 | – | 1.19 |
| 1,6-dioxacyclododecane-7,12-dione | – | – | – | 0.59 | 1.13e-03 | – | 1.77 |
| butyl glycol | – | – | – | 0.55 | 2.57e-03 | – | 1.32 |
| caprolactam | V | – | – | 0.53 | 1.13e-03 | – | 2.45 |
| ethylhexanol | – | – | – | 0.51 | 8.27e-03 | – | 1.06 |
| isolongifolene-5-ol | – | – | – | 0.45 | 6.56e-03 | – | 1.92 |
| isolongifolene-5-ol | – | – | – | 0.43 | 6.49e-04 | – | 1.84 |
| tetradecane | – | – | – | 0.38 | 7.82e-04 | – | 1.75 |
| dimethylphenylcarbinol | – | – | – | 0.32 | 7.82e-04 | – | 1.49 |
| cyclohexanone | – | – | – | 0.30 | 2.91e-03 | – | 1.41 |
| dimethylphenylcarbinol | – | – | – | 0.28 | 1.13e-03 | – | 1.70 |
| 2,2,4,6,6-pentamethylheptane | – | – | – | 0.23 | 3.66e-05 | – | 1.00 |
| 2,2-dimethyldecane | – | – | – | 0.23 | 1.08e-04 | – | 2.20 |
| 2,2,4,6,6-pentamethylheptane | – | – | – | 0.22 | 1.33e-04 | – | 2.20 |
| cyclohexanone | – | – | – | 0.18 | 2.46e-04 | – | 1.22 |
| tetramethylurea | – | – | – | 1.47e-03 | 4.03e-04 | – | 1.61 |
| 1,6-dioxacyclododecane-7,12-dione | – | – | – | – | – | – | – |
| 1,6-dioxacyclododecane-7,12-dione | – | – | – | – | – | – | – |
| 2,2,4,6,6-pentamethylheptane | – | – | – | – | – | – | – |
| 2,3,4-trimethyldecane | – | – | – | – | – | – | – |
| 2,3,4-trimethyldecane | – | – | – | – | – | – | – |
| 2,3’-bifuran, octahydro | – | – | – | – | – | – | – |
| 2,3’-bifuran, octahydro | – | – | – | – | – | – | – |
| 2-butanone | – | – | – | – | – | – | – |
| 2-butanone | – | – | – | – | – | – | – |
| 2-hydroxy-iso-butyrophenone | – | – | – | – | – | – | – |
| 2-hydroxy-iso-butyrophenone | – | – | – | – | – | – | – |
| 3,4,5,6-tetramethyloctane | – | – | – | – | – | – | – |
| 3,4,5,6-tetramethyloctane | – | – | – | – | – | – | – |
| 3-methyl-4-heptanone | – | – | – | – | – | – | – |
| 3-methyl-4-heptanone | – | – | – | – | – | – | – |
| 3-phenyl-2-oxazolidinone | – | – | – | – | – | – | – |
| 3-phenyl-2-oxazolidinone | – | – | – | – | – | – | – |
| 4-methyltoluene | – | – | – | – | – | – | – |
| 4-methyltoluene | – | – | – | – | – | – | – |
| caprolactam | V | – | – | – | – | – | – |
| cyclohexanone | – | – | – | – | – | – | – |
| cyclooctanemethanol | – | – | – | – | – | – | – |
| cyclopentanone | – | – | – | – | – | – | – |
| cyclopentanone | – | – | – | – | – | – | – |
| dimethylphenylcarbinol | – | – | – | – | – | – | – |
| ethylaniline | – | – | – | – | – | – | – |
| ethylene carbonate | – | – | – | – | – | – | – |
| ethylene carbonate | – | – | – | – | – | – | – |
| ethylhexanol | – | – | – | – | – | – | – |
| ethylhexanol | – | – | – | – | – | – | – |
| hexadecane | – | – | – | – | – | – | – |
| hexadecane | – | – | – | – | – | – | – |
| isolongifolene-5-ol | – | – | – | – | – | – | – |
| isolongifolene-5-ol | – | – | – | – | – | – | – |
| isopropylbenzene | – | – | – | – | – | – | – |
| isopropylbenzene | – | – | – | – | – | – | – |
| nonane, 3-methyl-5-propyl | – | – | – | – | – | – | – |
| nonane, 3-methyl-5-propyl | – | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester | – | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester | – | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 3-hydroxy-2,4, 4-trimethylpentyl ester | – | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 3-hydroxy-2,4, 4-trimethylpentyl ester | – | – | – | – | – | – | – |
| sulfurous acid, 2-ethylhexyl nonyl ester | – | – | – | – | – | – | – |
| sulfurous acid, 2-ethylhexyl nonyl ester | – | – | – | – | – | – | – |
| Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|
| cyclooctanemethanol | – | – | – | – | – | – |
| 2-hydroxy-iso-butyrophenone | – | – | – | – | – | – |
| 2,2-dimethyldecane | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 3-hydroxy-2,4, 4-trimethylpentyl ester | – | – | – | – | – | – |
| sulfurous acid, 2-ethylhexyl nonyl ester | – | – | – | – | – | – |
| isopropylbenzene | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester | – | – | – | – | – | – |
| nonane, 3-methyl-5-propyl | – | – | – | – | – | – |
| 2,3’-bifuran, octahydro | – | – | – | – | – | – |
| 4-methyltoluene | – | – | – | – | – | – |
| cyclopentanone | – | – | – | – | – | – |
| 2-butanone | – | – | – | – | – | – |
| ethylaniline | – | – | – | – | – | – |
| 2,3,4-trimethyldecane | – | – | – | – | – | – |
| 3,4,5,6-tetramethyloctane | – | – | – | – | – | – |
| 2,2-dimethyldecane | – | – | – | – | – | – |
| tetradecane | – | – | – | – | – | – |
| ethylene carbonate | – | – | – | – | – | – |
| tetradecane | – | – | – | – | – | – |
| dimethylphenylcarbinol | – | – | – | – | – | – |
| hexadecane | – | – | – | – | – | – |
| butyl glycol | – | – | – | – | – | – |
| 3-phenyl-2-oxazolidinone | – | – | – | – | – | – |
| butyl glycol | – | – | – | – | – | – |
| benzothiazole | – | – | – | – | – | – |
| caprolactam | V | – | – | – | – | – |
| benzothiazole | – | – | – | – | – | – |
| 3-methyl-4-heptanone | – | – | – | – | – | – |
| ethylaniline | – | – | – | – | – | – |
| ethylaniline | – | – | – | – | – | – |
| caprolactam | V | – | – | – | – | – |
| benzothiazole | – | – | – | – | – | – |
| cyclooctanemethanol | – | – | – | – | – | – |
| 1,6-dioxacyclododecane-7,12-dione | – | – | – | – | – | – |
| butyl glycol | – | – | – | – | – | – |
| caprolactam | V | – | – | – | – | – |
| ethylhexanol | – | – | – | – | – | – |
| isolongifolene-5-ol | – | – | – | – | – | – |
| isolongifolene-5-ol | – | – | – | – | – | – |
| tetradecane | – | – | – | – | – | – |
| dimethylphenylcarbinol | – | – | – | – | – | – |
| cyclohexanone | – | – | – | – | – | – |
| dimethylphenylcarbinol | – | – | – | – | – | – |
| 2,2,4,6,6-pentamethylheptane | – | – | – | – | – | – |
| 2,2-dimethyldecane | – | – | – | – | – | – |
| 2,2,4,6,6-pentamethylheptane | – | – | – | – | – | – |
| cyclohexanone | – | – | – | – | – | – |
| tetramethylurea | – | – | – | – | – | – |
| 1,6-dioxacyclododecane-7,12-dione | – | – | – | – | – | – |
| 1,6-dioxacyclododecane-7,12-dione | – | – | – | – | – | – |
| 2,2,4,6,6-pentamethylheptane | – | – | – | – | – | – |
| 2,3,4-trimethyldecane | – | – | – | – | – | – |
| 2,3,4-trimethyldecane | – | – | – | – | – | – |
| 2,3’-bifuran, octahydro | – | – | – | – | – | – |
| 2,3’-bifuran, octahydro | – | – | – | – | – | – |
| 2-butanone | – | – | – | – | – | – |
| 2-butanone | – | – | – | – | – | – |
| 2-hydroxy-iso-butyrophenone | – | – | – | – | – | – |
| 2-hydroxy-iso-butyrophenone | – | – | – | – | – | – |
| 3,4,5,6-tetramethyloctane | – | – | – | – | – | – |
| 3,4,5,6-tetramethyloctane | – | – | – | – | – | – |
| 3-methyl-4-heptanone | – | – | – | – | – | – |
| 3-methyl-4-heptanone | – | – | – | – | – | – |
| 3-phenyl-2-oxazolidinone | – | – | – | – | – | – |
| 3-phenyl-2-oxazolidinone | – | – | – | – | – | – |
| 4-methyltoluene | – | – | – | – | – | – |
| 4-methyltoluene | – | – | – | – | – | – |
| caprolactam | V | – | – | – | – | – |
| cyclohexanone | – | – | – | – | – | – |
| cyclooctanemethanol | – | – | – | – | – | – |
| cyclopentanone | – | – | – | – | – | – |
| cyclopentanone | – | – | – | – | – | – |
| dimethylphenylcarbinol | – | – | – | – | – | – |
| ethylaniline | – | – | – | – | – | – |
| ethylene carbonate | – | – | – | – | – | – |
| ethylene carbonate | – | – | – | – | – | – |
| ethylhexanol | – | – | – | – | – | – |
| ethylhexanol | – | – | – | – | – | – |
| hexadecane | – | – | – | – | – | – |
| hexadecane | – | – | – | – | – | – |
| isolongifolene-5-ol | – | – | – | – | – | – |
| isolongifolene-5-ol | – | – | – | – | – | – |
| isopropylbenzene | – | – | – | – | – | – |
| isopropylbenzene | – | – | – | – | – | – |
| nonane, 3-methyl-5-propyl | – | – | – | – | – | – |
| nonane, 3-methyl-5-propyl | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 3-hydroxy-2,4, 4-trimethylpentyl ester | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 3-hydroxy-2,4, 4-trimethylpentyl ester | – | – | – | – | – | – |
| sulfurous acid, 2-ethylhexyl nonyl ester | – | – | – | – | – | – |
| sulfurous acid, 2-ethylhexyl nonyl ester | – | – | – | – | – | – |
Paper graphical summary
