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Citation Information
J Chromatogr A. 2018 Dec 14;1580:80-89. doi: 10.1016/j.chroma.2018.10.034. Epub 2018 Oct 19.
Biotransformation-based metabolomics profiling method for determining and quantitating cancer-related metabolites.
Yue X, He J, Zhang R, Xu J, Zhou Z, Zhang R, Bi N, Wang Z, Sun C, Wang L, Chen Y, Abliz Z.
Analytical methods | ||
|---|---|---|
| Comparative study | #1 | |
| Chromatography | LC | |
| Ion source | ESI | |
| Positive/Negative mode | positive, negative | |
| Mass analyzer | QTRAP | |
| Identification level | MS/MS | |
Sample information | ||
|---|---|---|
| Comparative study | #1 | |
| Country | China | |
| Specimen | plasma | |
| Marker function | diagnosis | |
| Participants(Case) | Cancer type | SCLC |
| Stage | – | |
| Number | 20 | |
| Gender (M,F) | – | |
| Mean age (range) (M,F) | – | |
| Smoking status | – | |
| Participants(Control) | Type | healthy |
| Number | 20.0 | |
| Gender (M,F) | – | |
| Mean age (range) (M,F) | – | |
| Smoking status | – | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | Analyst, MultiQuant |
| Database search | – |
Statistics and concentration information | |
|---|---|
| Differential analysis method | OPLS-DA, student’s t-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 |
|---|---|---|---|---|---|---|---|---|
| citrulline | – | – | 735.70±238.92 ng/mL | 394.84±95.35 ng/mL | 2.39495740923786 | 0.031 | – | 1.01 |
| ornithine | – | – | 18747.50±5011.63 ng/mL | 12719.00±3260.69 ng/mL | 3.38698124945011 | 0.019 | – | 1.05 |
| niacinamide | – | – | 26303.50±4458.58 ng/mL | 22834.50±2545.10 ng/mL | 0.376311686852767 | 0.008 | – | 1.03 |
| 5’-methylthioadenosine | – | – | 802.62±172.27 ng/mL | 311.79±67.04 ng/mL | 0.303548721098762 | 0.00546 | – | 1.06 |
| 2-phenylacetamide | – | – | – | – | 7.21000370088664 | 0.00359 | – | 1.12 |
| N-acetylisatin | – | – | – | – | 0.136786712657592 | 0.00312 | – | 1.09 |
| carnitine C7-COOH | – | – | – | – | 0.386891248385597 | 0.00104 | – | 1.27 |
| N,N-Dimethylglycine | – | – | 4.54±2.62 ng/mL | 1.30±1.73 ng/mL | 2.42838976879009 | 0.000651 | – | 1.21 |
| 4-Hydroxyproline | – | – | 303.28±107.42 ng/mL | 131.24±59.38 ng/mL | 7.83536238069541 | 0.000505 | – | 1.33 |
| 5-methylcytidine | – | – | 73.17±33.40 ng/mL | 103.46±35.56 ng/mL | 0.348685916587601 | 0.000501 | – | 1.33 |
| 5-acetamidopentanoate | – | – | – | – | 0.414659772907221 | 0.000436 | – | 1.28 |
| 1-methylhistidine | – | – | 3102.10±695.01 ng/mL | 1912.36±722.30 ng/mL | 2.69446715373138 | 0.000435 | – | 1.27 |
| N1-methyl-2-pyridone-5-carboxamide | – | – | – | – | 3.73213196614723 | 0.000388 | – | 1.29 |
| nicotinylglycine | – | – | 2.19±0.59 ng/mL | 3.18±0.96 ng/mL | 0.366021423986406 | 0.00035 | – | 1.31 |
| xanthine | – | – | 10.84±4.51 ng/mL | 16.48±4.84 ng/mL | 4 | 0.00031 | – | 1.33 |
| carnitine C11:1 | – | – | – | – | 0.248273123859259 | 0.000291 | – | 1.32 |
| carnitine C11:2 | – | – | – | – | 0.244855074396732 | 0.000275 | – | 1.32 |
| phenylalanine | – | – | 12396.95±2022.94 ng/mL | 11365.30±1254.94 ng/mL | 2.12874036490672 | 0.0002 | – | 1.39 |
| spermidine | – | – | – | – | 0.386891248385597 | 0.000184 | – | 1.4 |
| cGMP | – | – | 16847.50±2023.57 ng/mL | 14360.00±2034.44 ng/mL | 3.24900958542494 | 0.000117 | – | 1.4 |
| arginine | – | – | 495.84±146.08 ng/mL | 346.18±93.95 ng/mL | 2.67585510957222 | 0.0000863 | – | 1.36 |
| proline | – | – | 1529.22±403.46 ng/mL | 1079.66±215.79 ng/mL | 2.77021893622185 | 0.0000607 | – | 1.44 |
| testosterone | – | – | 9562.95±1219.14 ng/mL | 8107.15±1450.78 ng/mL | 11.3137084989848 | 0.0000433 | – | 1.45 |
| AMP | – | – | 3240.20±1091.67 ng/mL | 1211.94±319.08 ng/mL | 0.0395548935615713 | 0.0000391 | – | 1.42 |
| glycine | – | – | 359.52±138.91 ng/mL | 176.19±95.98 ng/mL | 4.11245530662427 | 0.0000208 | – | 1.48 |
| malic acid | – | – | 398.03±103.15 ng/mL | 623.55±63.80 ng/mL | 0.181746564665039 | 0.00000929 | – | 1.57 |
| glutamate | – | – | 1532.78±321.05 ng/mL | 1092.18±192.11 ng/mL | 3.07375036257602 | 0.00000505 | – | 1.58 |
| succinic acid | – | – | 208.88±46.71 ng/mL | 1181.10±867.10 ng/mL | 0.360982298880624 | 0.00000343 | – | 1.55 |
| creatinine | – | – | 1.93±0.92 ng/mL | 3.32±1.89 ng/mL | 2.53151318794056 | 0.00000281 | – | 1.61 |
| histidine | – | – | 24879.00±3290.40 ng/mL | 15432.00±2151.27 ng/mL | 3.63007662126864 | 0.00000072 | – | 1.66 |
| threonine | – | – | 2653.95±739.97 ng/mL | 1565.30±260.95 ng/mL | 3.24900958542494 | 0.000000298 | – | 1.76 |
| serine | – | – | 159.17±48.86 ng/mL | 64.38±23.19 ng/mL | 4.95883079975595 | 0.000000244 | – | 1.75 |
| citric acid | – | – | 135.09±38.09 ng/mL | 29.47±6.40 ng/mL | 0.312082637225403 | 0.000000187 | – | 1.66 |
| cystathionine | – | – | 1116.98±638.10 ng/mL | 634.97±611.20 ng/mL | 5.06302637588112 | 0.000000104 | – | 1.84 |
| gluconolactone | – | – | 224.84±120.50 ng/mL | 112.48±38.85 ng/mL | 0.219151430329009 | 0.0000000591 | – | 1.65 |
| asparagine | – | – | 11953.05±1494.14 ng/mL | 10300.55±1266.10 ng/mL | 5.5404378724437 | 0.00000000186 | – | 1.9 |
| pyroglutamic acid | – | – | 2.91±0.84 ng/mL | 1.71±0.92 ng/mL | 6.36429187003935 | 0.00000000123 | – | 1.98 |
| 1-methyladenosine | – | – | 7396.10±1303.52 ng/mL | 5521.85±792.75 ng/mL | 0.336808394216423 | 0.000000000441 | – | 1.99 |
| glutamine | – | – | 994.55±739.86 ng/mL | 334.96±233.22 ng/mL | 3.05251841792112 | 0.000000000000444 | – | 2.07 |
| choline | – | – | 5.34±1.52 ng/mL | 2.28±1.43 ng/mL | 5.9380942825162 | 0.0000000000000234 | – | 2.11 |
| NG,NG-dimethylarginine | – | – | 438.06±85.80 ng/mL | 342.24±77.10 ng/mL | 23.917587978159 | 0.0000000000000096 | – | 2.18 |
| Metabolite | Comparative study | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|---|
| citrulline | – | – | – | – | – | – | – |
| ornithine | – | – | – | – | – | – | – |
| niacinamide | – | – | – | – | – | – | – |
| 5’-methylthioadenosine | – | – | – | – | – | – | – |
| 2-phenylacetamide | – | – | – | – | – | – | – |
| N-acetylisatin | – | – | – | – | – | – | – |
| carnitine C7-COOH | – | – | – | – | – | – | – |
| N,N-Dimethylglycine | – | – | – | – | – | – | – |
| 4-Hydroxyproline | – | – | – | – | – | – | – |
| 5-methylcytidine | – | – | – | – | – | – | – |
| 5-acetamidopentanoate | – | – | – | – | – | – | – |
| 1-methylhistidine | – | – | – | – | – | – | – |
| N1-methyl-2-pyridone-5-carboxamide | – | – | – | – | – | – | – |
| nicotinylglycine | – | – | – | – | – | – | – |
| xanthine | – | – | – | – | – | – | – |
| carnitine C11:1 | – | – | – | – | – | – | – |
| carnitine C11:2 | – | – | – | – | – | – | – |
| phenylalanine | – | – | – | – | – | – | – |
| spermidine | – | – | – | – | – | – | – |
| cGMP | – | – | – | – | – | – | – |
| arginine | – | – | – | – | – | – | – |
| proline | – | – | – | – | – | – | – |
| testosterone | – | – | – | – | – | – | – |
| AMP | – | – | – | – | – | – | – |
| glycine | – | – | – | – | – | – | – |
| malic acid | – | – | – | – | – | – | – |
| glutamate | – | – | – | – | – | – | – |
| succinic acid | – | – | – | – | – | – | – |
| creatinine | – | – | – | – | – | – | – |
| histidine | – | – | – | – | – | – | – |
| threonine | – | – | – | – | – | – | – |
| serine | – | – | – | – | – | – | – |
| citric acid | – | – | – | – | – | – | – |
| cystathionine | – | – | – | – | – | – | – |
| gluconolactone | – | – | – | – | – | – | – |
| asparagine | – | – | – | – | – | – | – |
| pyroglutamic acid | – | – | – | – | – | – | – |
| 1-methyladenosine | – | – | – | – | – | – | – |
| glutamine | – | – | – | – | – | – | – |
| choline | – | – | – | – | – | – | – |
| NG,NG-dimethylarginine | – | – | – | – | – | – | – |
Paper graphical summary
