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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 | 18.0 | 18.0 | 18.0 | 18.0 | |
| 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 | – |
Statistics and concentration information | |
|---|---|
| Differential analysis method | PCA, PLS-DA, OPLS-DA, Kruskal-Wallis rank sum test |
| Classification method | – |
| Survival analysis method | – |
Metabolites identified in the paper
| Metabolite | Comparative study | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
|---|---|---|---|---|---|---|---|---|
| ethylaniline | – | – | – | – | 2.01391110011344 | 0.009605 | – | 1.4794 |
| ethylene carbonate | – | – | – | – | 3.81055199217575 | 0.0096 | – | 1.107 |
| caprolactam | – | V | – | – | 2.28152743173685 | 0.0088 | – | 1.1532 |
| ethylhexanol | – | – | – | – | 0.510506062853597 | 0.00827 | – | 1.0584 |
| 2,3’-bifuran, octahydro | – | – | – | – | 16.1112888009075 | 0.00734 | – | 1.1345 |
| ethylaniline | – | – | – | – | 5.57897466540162 | 0.00666 | – | 1.2958 |
| isolongifolene-5-ol | – | – | – | – | 0.447512535463986 | 0.00656 | – | 1.923 |
| benzothiazole | – | – | – | – | 2.18858740252148 | 0.00443 | – | 1.1968 |
| caprolactam | – | V | – | – | 0.840896415253715 | 0.004425 | – | 1.6282 |
| 2,2-dimethyldecane | – | – | – | – | 3.97236998174814 | 0.00376 | – | 1.1814 |
| butyl glycol | – | – | – | – | 2.9690471412581 | 0.00376 | – | 1.1917 |
| isopropylbenzene | – | – | – | – | 24.0839479585771 | 0.003739 | – | 1.1221 |
| 2-butanone | – | – | – | – | 12.553345566348 | 0.00341 | – | 1.2879 |
| cyclohexanone | – | – | – | – | 0.29730177875068 | 0.00291 | – | 1.407 |
| butyl glycol | – | – | – | – | 2.39495740923786 | 0.0027 | – | 1.4783 |
| hexadecane | – | – | – | – | 3.01049349482213 | 0.0027 | – | 1.365 |
| butyl glycol | – | – | – | – | 0.554784736033923 | 0.00257 | – | 1.3227 |
| cyclooctanemethanol | – | – | – | – | 0.590496330714765 | 0.00228 | – | 1.191 |
| 3-phenyl-2-oxazolidinone | – | – | – | – | 2.54912125463852 | 0.001611 | – | 1.6739 |
| ethylaniline | – | – | – | – | 2.07052984768276 | 0.001611 | – | 2.1212 |
| 2,3,4-trimethyldecane | – | – | – | – | 4.72397064571812 | 0.00161 | – | 1.2848 |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester | – | – | – | – | 19.1596592739029 | 0.00154 | – | 1.2266 |
| benzothiazole | – | – | – | – | 2.34566989846376 | 0.00136 | – | 1.2373 |
| 3-methyl-4-heptanone | – | – | – | – | 2.09943336724613 | 0.00135 | – | 1.0678 |
| 1,6-dioxacyclododecane-7,12-dione | – | – | – | – | 0.590496330714765 | 0.001128 | – | 1.7674 |
| caprolactam | – | V | – | – | 0.52850902028069 | 0.001128 | – | 2.4544 |
| dimethylphenylcarbinol | – | – | – | – | 0.277392368016961 | 0.001128 | – | 1.7 |
| benzothiazole | – | – | – | – | 0.683020128377198 | 0.000941 | – | 1.4415 |
| dimethylphenylcarbinol | – | – | – | – | 0.31643914849257 | 0.000782 | – | 1.4897 |
| tetradecane | – | – | – | – | 0.384218795322003 | 0.000782 | – | 1.7512 |
| nonane, 3-methyl-5-propyl | – | – | – | – | 16.4498212264971 | 0.000698 | – | 1.4836 |
| isolongifolene-5-ol | – | – | – | – | 0.426317445883978 | 0.000649 | – | 1.836 |
| 2,2-dimethyldecane | – | – | – | – | 50.213382265392 | 0.000566 | – | 1.327 |
| dimethylphenylcarbinol | – | – | – | – | 3.45814892523146 | 0.000456 | – | 1.5584 |
| tetradecane | – | – | – | – | 3.94493081797344 | 0.000443 | – | 1.4729 |
| tetramethylurea | – | – | – | – | 0.00146996752676862 | 0.000403 | – | 1.608 |
| propanoic acid, 2-methyl-, 3-hydroxy-2,4, 4-trimethylpentyl ester | – | – | – | – | 29.446004819996 | 0.000293 | – | 1.4871 |
| 2-hydroxy-iso-butyrophenone | – | – | – | – | 278.204124806671 | 0.000273 | – | 1.179 |
| cyclohexanone | – | – | – | – | 0.184283652161388 | 0.000246 | – | 1.216 |
| cyclopentanone | – | – | – | – | 14.4200074017733 | 0.000201 | – | 1.3522 |
| sulfurous acid, 2-ethylhexyl nonyl ester | – | – | – | – | 28.6408022696951 | 0.000162 | – | 1.5626 |
| 2,2,4,6,6-pentamethylheptane | – | – | – | – | 0.217637640824031 | 0.000133 | – | 2.1969 |
| 3,4,5,6-tetramethyloctane | – | – | – | – | 4 | 0.000133 | – | 1.6552 |
| 2,2-dimethyldecane | – | – | – | – | 0.22845786255735 | 0.000108 | – | 2.1988 |
| cyclooctanemethanol | – | – | – | – | 1663.49290773757 | 0.0000586 | – | 1.8178 |
| 4-methyltoluene | – | – | – | – | 15.4549812627975 | 0.0000568 | – | 1.6122 |
| 2,2,4,6,6-pentamethylheptane | – | – | – | – | 0.230046912656219 | 0.0000366 | – | 1.004 |
| tetradecane | – | – | – | – | 3.78423058690238 | 0.0000287 | – | 1.7265 |
| 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 | Comparative study | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|---|
| ethylaniline | – | – | – | – | – | – | – |
| ethylene carbonate | – | – | – | – | – | – | – |
| caprolactam | – | V | – | – | – | – | – |
| ethylhexanol | – | – | – | – | – | – | – |
| 2,3’-bifuran, octahydro | – | – | – | – | – | – | – |
| ethylaniline | – | – | – | – | – | – | – |
| isolongifolene-5-ol | – | – | – | – | – | – | – |
| benzothiazole | – | – | – | – | – | – | – |
| caprolactam | – | V | – | – | – | – | – |
| 2,2-dimethyldecane | – | – | – | – | – | – | – |
| butyl glycol | – | – | – | – | – | – | – |
| isopropylbenzene | – | – | – | – | – | – | – |
| 2-butanone | – | – | – | – | – | – | – |
| cyclohexanone | – | – | – | – | – | – | – |
| butyl glycol | – | – | – | – | – | – | – |
| hexadecane | – | – | – | – | – | – | – |
| butyl glycol | – | – | – | – | – | – | – |
| cyclooctanemethanol | – | – | – | – | – | – | – |
| 3-phenyl-2-oxazolidinone | – | – | – | – | – | – | – |
| ethylaniline | – | – | – | – | – | – | – |
| 2,3,4-trimethyldecane | – | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester | – | – | – | – | – | – | – |
| benzothiazole | – | – | – | – | – | – | – |
| 3-methyl-4-heptanone | – | – | – | – | – | – | – |
| 1,6-dioxacyclododecane-7,12-dione | – | – | – | – | – | – | – |
| caprolactam | – | V | – | – | – | – | – |
| dimethylphenylcarbinol | – | – | – | – | – | – | – |
| benzothiazole | – | – | – | – | – | – | – |
| dimethylphenylcarbinol | – | – | – | – | – | – | – |
| tetradecane | – | – | – | – | – | – | – |
| nonane, 3-methyl-5-propyl | – | – | – | – | – | – | – |
| isolongifolene-5-ol | – | – | – | – | – | – | – |
| 2,2-dimethyldecane | – | – | – | – | – | – | – |
| dimethylphenylcarbinol | – | – | – | – | – | – | – |
| tetradecane | – | – | – | – | – | – | – |
| tetramethylurea | – | – | – | – | – | – | – |
| propanoic acid, 2-methyl-, 3-hydroxy-2,4, 4-trimethylpentyl ester | – | – | – | – | – | – | – |
| 2-hydroxy-iso-butyrophenone | – | – | – | – | – | – | – |
| cyclohexanone | – | – | – | – | – | – | – |
| cyclopentanone | – | – | – | – | – | – | – |
| sulfurous acid, 2-ethylhexyl nonyl ester | – | – | – | – | – | – | – |
| 2,2,4,6,6-pentamethylheptane | – | – | – | – | – | – | – |
| 3,4,5,6-tetramethyloctane | – | – | – | – | – | – | – |
| 2,2-dimethyldecane | – | – | – | – | – | – | – |
| cyclooctanemethanol | – | – | – | – | – | – | – |
| 4-methyltoluene | – | – | – | – | – | – | – |
| 2,2,4,6,6-pentamethylheptane | – | – | – | – | – | – | – |
| tetradecane | – | – | – | – | – | – | – |
| 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
