Analytical methods | |||||
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Comparative study | #1 | #2 | #3 | #4 | |
Chromatography | LC | LC | GC | GC | |
Ion source | ESI | ESI | – | – | |
Positive/Negative mode | positive | positive | – | – | |
Mass analyzer | Q-TOF | Q-TOF | – | – | |
Identification level | – | – | – | – |
Sample information | |||||
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Comparative study | #1 | #2 | #3 | #4 | |
Country | China | China | China | China | |
Specimen | serum | serum | serum | serum | |
Marker function | diagnosis | diagnosis | diagnosis | diagnosis | |
Participants(Case) | Cancer type | adenocarcinoma, squamous cell carcinoma, large cell carcinoma | adenocarcinoma, squamous cell carcinoma, large cell carcinoma | adenocarcinoma, squamous cell carcinoma, large cell carcinoma | adenocarcinoma, squamous cell carcinoma, large cell carcinoma |
Stage | I, II, III | I, II, III | I, II, III | I, II, III | |
Number | 30 | 30 | 30 | 30 | |
Gender (M,F) | 9, 21 | 9, 21 | 9, 21 | 9, 21 | |
Mean age (range) (M,F) | 61.58 ± 10.67 | 61.58 ± 10.67 | 61.58 ± 10.67 | 61.58 ± 10.67 | |
Smoking status | – | – | – | – | |
Participants(Control) | Type | healthy | before vs. after treatment (operation) | healthy | before vs. after treatment (operation) |
Number | 30 | 30 | 30 | 30 | |
Gender (M,F) | 11, 19 | 9, 21 | 11, 19 | 9, 21 | |
Mean age (range) (M,F) | 60.35 ± 12.48 | 61.58 ± 10.67 | 60.35 ± 12.48 | 61.58 ± 10.67 | |
Smoking status | – | – | – | – |
Data processing and metabolite identification | |
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Data processing software | Mass Hunter Qualitative Analysis Software (Agilent Technologies) |
Database search | METLIN |
Statistical analysis | |
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Differential analysis method | independent 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 |
---|---|---|---|---|---|---|---|
serine | V | 114.92 ± 89.30 | 183.48 ± 96.63 | 0.63 | 1.00e-03 | – | – |
serine | V | 114.92 ± 89.30 | 284.16 ± 184.76 | 0.40 | 1.00e-03 | – | – |
γ-linolenic acid | V | 1245.99 ± 595.41 | 500.34 ± 204.80 | 2.49 | 1.00e-03 | – | – |
γ-linolenic acid | V | 1245.99 ± 595.41 | 602.06 ± 226.28 | 2.07 | 1.00e-03 | – | – |
phosphorylcholine | V | 133.28 ± 75.49 | 72.70 ± 14.16 | 1.83 | 1.00e-03 | – | – |
phosphorylcholine | V | 133.28 ± 75.49 | 82.17 ± 28.31 | 1.62 | 1.00e-03 | – | – |
2,3,4-trihydroxybutyric acid | V | 24.63 ± 24.13 | 71.89 ± 30.60 | 0.34 | 1.00e-03 | – | – |
2,3,4-trihydroxybutyric acid | V | 24.63 ± 24.13 | 23.02 ± 14.47 | 1.07 | 1.00e-03 | – | – |
9,12-octadecadienoic acid | V | 24.90 ± 18.09 | 9.88 ± 5.79 | 2.52 | 1.00e-03 | – | – |
9,12-octadecadienoic acid | V | 24.90 ± 18.09 | 13.57 ± 9.30 | 1.83 | 1.00e-03 | – | – |
glycerophospho-N-arachidonoyl ethanolamine | V | 2722.76 ± 769.63 | 1355.53 ± 282.89 | 2.01 | 1.00e-03 | – | – |
glycerophospho-N-arachidonoyl ethanolamine | V | 2722.76 ± 769.63 | 1714.79 ± 399.47 | 1.59 | 1.00e-03 | – | – |
sphingosine | V | 53.33 ± 35.95 | 139.60 ± 38.75 | 0.38 | 1.00e-03 | – | – |
sphingosine | V | 53.33 ± 35.95 | 141.78 ± 42.42 | 0.38 | 1.00e-03 | – | – |
α-hydroxyisobutyric acid | V | 556.54 ± 220.00 | 306.84 ± 153.64 | 1.81 | 1.00e-03 | – | – |
α-hydroxyisobutyric acid | V | 556.54 ± 220.00 | 803.58 ± 329.41 | 0.69 | – | – | – |
oleic acid | V | 605.66 ± 361.44 | 244.99 ± 131.32 | 2.47 | 1.00e-03 | – | – |
oleic acid | V | 605.66 ± 361.44 | 346.58 ± 164.66 | 1.75 | 1.00e-03 | – | – |
prasterone sulfate | V | 71.99 ± 38.72 | 106.80 ± 31.70 | 0.67 | 1.00e-03 | – | – |
prasterone sulfate | V | 71.99 ± 38.72 | 50.93 ± 22.26 | 1.41 | – | – | – |
Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
---|---|---|---|---|---|---|
serine | V | 113.21 | 0.774 (0.645-0.904) | 83.33 | 73.33 | – |
serine | V | 130.97 | 0.825 (0.721) | 80 | 76.67 | – |
γ-linolenic acid | V | 805.17 | 0.889 (0.806-0.972) | 76.67 | 93.33 | – |
γ-linolenic acid | V | 808.24 | 0.847 (0.744–0.949) | 76.67 | 90 | – |
phosphorylcholine | V | 78.32 | 0.874 (0.780-0.969) | 90 | 80 | – |
phosphorylcholine | V | 84.69 | 0.781 (0.666–0.896) | 76.67 | 70 | – |
2,3,4-trihydroxybutyric acid | V | 45.87 | 0.88 (0.794-0.966) | 86.67 | 83.33 | – |
2,3,4-trihydroxybutyric acid | V | – | – | – | – | – |
9,12-octadecadienoic acid | V | 13.56 | 0.704 (0.562-0.847) | 66.67 | 83.33 | – |
9,12-octadecadienoic acid | V | 21.29 | 0.645 (0.499–0.791) | 53.33 | 86.67 | – |
glycerophospho-N-arachidonoyl ethanolamine | V | 1752.6 | 0.983 (0.960-1.007) | 96.67 | 90 | – |
glycerophospho-N-arachidonoyl ethanolamine | V | 1988.46 | 0.916 (0.847–0.984) | 76.67 | 93.33 | – |
sphingosine | V | 102.76 | 0.957 (0.894-1.019) | 90 | 96.67 | – |
sphingosine | V | 86.48 | 0.966 (0.911) | 96.67 | 90 | – |
α-hydroxyisobutyric acid | V | 365.23 | 0.86 (0.764-0.956) | 80 | 80 | – |
α-hydroxyisobutyric acid | V | – | – | – | – | – |
oleic acid | V | 402.22 | 0.749 (0.614-0.884) | 70 | 86.67 | – |
oleic acid | V | 489.02 | 0.694 (0.550–0.838) | 60 | 80 | – |
prasterone sulfate | V | 91.07 | 0.787 (0.670-0.905) | 76.67 | 80 | – |
prasterone sulfate | V | – | – | – | – | – |