Analytical methods | |||
|---|---|---|---|
| Comparative study | #1 | #2 | |
| Chromatography | LC | LC | |
| Ion source | ESI | ESI | |
| Positive/Negative mode | both | both | |
| Mass analyzer | Q-TOF | Q-TOF | |
| Identification level | – | – | |
Sample information | |||
|---|---|---|---|
| Comparative study | #1 | #2 | |
| Country | Canada | Canada | |
| Specimen | Urine | Serum | |
| Marker function | diagnosis | diagnosis | |
| Participants(Case) | Cancer type | NSCLC pre-surgery | NSCLC pre-surgery |
| Stage | I, II | I, II | |
| Number | 29 | 32 | |
| Gender (M,F) | 11, 18 | 12, 20 | |
| Mean age (range) (M,F) | 63.8 ± 7.0 | 63.8 ± 7.0 | |
| Smoking status | former, current, non-smoker | former, current, non-smoker | |
| Participants(Control) | Type | NSCLC post-surgery | NSCLC post-surgery |
| Number | 29 | 32 | |
| Gender (M,F) | 11,18 | 12,20 | |
| Mean age (range) (M,F) | 63.8 ± 7.0 | 63.8 ± 7.0 | |
| Smoking status | former, current, non-smoker | former, current, non-smoker | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | MassHunter, Mass Profiler Professional |
| Database search | HMDB, METLIN |
Statistical analysis | |
|---|---|
| Differential analysis method | Pair t-test |
| Classification method | – |
| Survival analysis method | – |
| Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
|---|---|---|---|---|---|---|---|
| 2-propylpent-3-enoic acid | – | – | – | 50.00 | <0.0001 | – | – |
| 13,14-Dihydro PGE1/Prostaglandin F1a | – | – | – | 5.00 | 0.05 | – | – |
| 2-hexenoylcarnitine | – | – | – | 16.00 | 0.01 | – | – |
| 2-octenoylcarnitine | – | – | – | 3.00 | 0.03 | – | – |
| chenodeoxycholic | – | – | – | 28.00 | 5.00e-04 | – | – |
| deoxycholic acid glycine conjugate | – | – | – | 28.00 | 5.00e-04 | – | – |
| glycoursodeoxycholic acid | – | – | – | 28.00 | 5.00e-04 | – | – |
| cholic acid | – | – | – | 4.00 | 0.03 | – | – |
| cis-5-Tetradecenoylcarnitine | – | – | – | 4.00 | 0.03 | – | – |
| decanoylcarnitine | – | – | – | 2.00 | 1.00e-04 | – | – |
| dodecanoylcarnitine | – | – | – | 6.00 | 9.00e-04 | – | – |
| L-carnitine | – | – | – | 3.00 | <0.0001 | – | – |
| L-octanoylcarnitine | – | – | – | 2.00 | 8.00e-04 | – | – |
| LysoPC(P-18:1) | – | – | – | 3.00 | 0.03 | – | – |
| PG(18:1/18:2) | – | – | – | 6.00 | 8.70e-03 | – | – |
| PI(16:0/18:1) | – | – | – | 7.00 | 2.00e-04 | – | – |
| 4-guanidinobutanoic acid | – | – | – | 4.00 | 0.03 | – | – |
| isodesmosine | – | – | – | 19.00 | 0.04 | – | – |
| L-isoleucyl-L-proline | – | – | – | 2.00 | 5.00e-04 | – | – |
| myo-inositol | – | – | – | 2.00 | 2.00e-04 | – | – |
| glyceraldehyde | – | – | – | 2.00 | 1.00e-04 | – | – |
| beta-cortol | – | – | – | 8.00 | 0.01 | – | – |
| 5-Acetylamino-6-formylamino-3-methyluracil | – | – | – | 3.00 | 0.03 | – | – |
| 4-hydroxycyclohexylcarboxylic acid | – | – | – | 3.00 | <0.0001 | – | – |
| guanidinosuccinic acid | – | – | – | 3.00 | 0.02 | – | – |
| proline betaine | – | – | – | 2.00 | 0.02 | – | – |
| androstanediol | – | – | – | 54.00 | <0.0001 | – | – |
| dopamine | – | – | – | 5.00 | <0.0001 | – | – |
| epinephrine | – | – | – | 134.00 | <0.0001 | – | – |
| androstenedione | – | – | – | 8.00 | 0.02 | – | – |
| tetrahydrobiopterin/sapropterin (BH4, THB) | – | – | – | 8.00 | 3.10e-03 | – | – |
| N-desmethylaminopyrine | – | – | – | 10.00 | 3.00e-04 | – | – |
| isopentenyladenine | – | – | – | 31.00 | 1.00e-04 | – | – |
| aspartyl glycine | – | – | – | 50.00 | 6.00e-04 | – | – |
| Asymmetric dimethylarginine (ADMA) | – | – | – | 16.00 | 0.04 | – | – |
| hypoglycin | – | – | – | 442.00 | <0.0001 | – | – |
| L-glutamic acid n-butyl ester | – | – | – | 65.00 | 9.00e-04 | – | – |
| N(alpha)-t-Butoxycarbonyl-L-leucine | – | – | – | 161.00 | <0.0001 | – | – |
| Pro Leu | – | – | – | 625.00 | <0.0001 | – | – |
| 1-methyladenine | – | – | – | 59.00 | <0.0001 | – | – |
| 3-methyluric acid | – | – | – | 198.00 | <0.0001 | – | – |
| N6-methyladenosine | – | – | – | 27.00 | 8.50e-03 | – | – |
| fumaric acid | – | – | – | 17.00 | 0.01 | – | – |
| Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|
| 2-propylpent-3-enoic acid | – | – | – | – | – | – |
| 13,14-Dihydro PGE1/Prostaglandin F1a | – | – | – | – | – | – |
| 2-hexenoylcarnitine | – | – | – | – | – | – |
| 2-octenoylcarnitine | – | – | – | – | – | – |
| chenodeoxycholic | – | – | – | – | – | – |
| deoxycholic acid glycine conjugate | – | – | – | – | – | – |
| glycoursodeoxycholic acid | – | – | – | – | – | – |
| cholic acid | – | – | – | – | – | – |
| cis-5-Tetradecenoylcarnitine | – | – | – | – | – | – |
| decanoylcarnitine | – | – | – | – | – | – |
| dodecanoylcarnitine | – | – | – | – | – | – |
| L-carnitine | – | – | – | – | – | – |
| L-octanoylcarnitine | – | – | – | – | – | – |
| LysoPC(P-18:1) | – | – | – | – | – | – |
| PG(18:1/18:2) | – | – | – | – | – | – |
| PI(16:0/18:1) | – | – | – | – | – | – |
| 4-guanidinobutanoic acid | – | – | – | – | – | – |
| isodesmosine | – | – | – | – | – | – |
| L-isoleucyl-L-proline | – | – | – | – | – | – |
| myo-inositol | – | – | – | – | – | – |
| glyceraldehyde | – | – | – | – | – | – |
| beta-cortol | – | – | – | – | – | – |
| 5-Acetylamino-6-formylamino-3-methyluracil | – | – | – | – | – | – |
| 4-hydroxycyclohexylcarboxylic acid | – | – | – | – | – | – |
| guanidinosuccinic acid | – | – | – | – | – | – |
| proline betaine | – | – | – | – | – | – |
| androstanediol | – | – | – | – | – | – |
| dopamine | – | – | – | – | – | – |
| epinephrine | – | – | – | – | – | – |
| androstenedione | – | – | – | – | – | – |
| tetrahydrobiopterin/sapropterin (BH4, THB) | – | – | – | – | – | – |
| N-desmethylaminopyrine | – | – | – | – | – | – |
| isopentenyladenine | – | – | – | – | – | – |
| aspartyl glycine | – | – | – | – | – | – |
| Asymmetric dimethylarginine (ADMA) | – | – | – | – | – | – |
| hypoglycin | – | – | – | – | – | – |
| L-glutamic acid n-butyl ester | – | – | – | – | – | – |
| N(alpha)-t-Butoxycarbonyl-L-leucine | – | – | – | – | – | – |
| Pro Leu | – | – | – | – | – | – |
| 1-methyladenine | – | – | – | – | – | – |
| 3-methyluric acid | – | – | – | – | – | – |
| N6-methyladenosine | – | – | – | – | – | – |
| fumaric acid | – | – | – | – | – | – |