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Citation Information
J Pharm Biomed Anal. 2019 Jan 30;163:122-129. doi: 10.1016/j.jpba.2018.09.055. Epub 2018 Sep 28.
Metabolomic study of serum, urine and bronchoalveolar lavage fluid based on gas chromatography mass spectrometry to delve into the pathology of lung cancer.
Callejón-Leblic B, García-Barrera T, Pereira-Vega A, Gómez-Ariza JL.
Analytical methods | ||||
|---|---|---|---|---|
| Comparative study | #1 | #2 | #3 | |
| Chromatography | GC | GC | GC | |
| Ion source | EI | EI | EI | |
| Positive/Negative mode | – | – | – | |
| Mass analyzer | ion trap | ion trap | ion trap | |
| Identification level | – | – | – | |
Sample information | ||||
|---|---|---|---|---|
| Comparative study | #1 | #2 | #3 | |
| Country | Spain | Spain | Spain | |
| Specimen | serum | urine | bronchoalveolar lavage fluid | |
| Marker function | diagnosis | diagnosis | diagnosis | |
| Participants(Case) | Cancer type | NSCLC, SCLC | NSCLC, SCLC | NSCLC, SCLC |
| Stage | – | – | – | |
| Number | 32 | 32 | 24 | |
| Gender (M,F) | 22, 8 | 22, 8 | 16, 8 | |
| Mean age (range) (M,F) | 66 ± 12 | 66 ± 12 | 65± 12 | |
| Smoking status | former, current, non-smoker | former, current, non-smoker | former, current | |
| Participants(Control) | Type | healthy | healthy | noncancerous lung diseases |
| Number | 29.0 | 29.0 | 30.0 | |
| Gender (M,F) | 18, 11 | 18, 11 | 25, 5 | |
| Mean age (range) (M,F) | 56 ± 13 | 56 ± 13 | 55 ± 15 | |
| Smoking status | former, non-smoker | former, non-smoker | former, current, non-smoker | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | XCMS |
| Database search | NIST Mass Spectral Library |
Statistics and concentration information | |
|---|---|
| Differential analysis method | PLS-LDA, one-way ANOVA |
| Classification method | ROC curve analysis |
| 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 |
|---|---|---|---|---|---|---|---|---|
| glucaric acid | – | V | – | – | 0.11 | 0.048 | – | 2.07 |
| acetic acid | – | – | – | – | 1.71 | 0.047 | – | 1.93 |
| L-aspartate | – | – | – | – | 0.48 | 0.047 | – | 1.35 |
| L-aspartate | – | – | – | – | 2.41 | 0.047 | – | 1.23 |
| phosphoric acid | – | V | – | – | 0.42 | 0.047 | – | 2.12 |
| deoxy-glucose | – | V | – | – | 4.24 | 0.046 | – | 2.31 |
| uric acid | – | V | – | – | 4.25 | 0.044 | – | 1.99 |
| acetic acid | – | – | – | – | 3.17 | 0.043 | – | 1.72 |
| galactose | – | – | – | – | 0.63 | 0.043 | – | 2.1 |
| L-glutamine | – | – | – | – | 0.61 | 0.043 | – | 1.57 |
| ribonic acid | – | – | – | – | 2.91 | 0.043 | – | 2 |
| L-proline | – | – | – | – | 0.68 | 0.042 | – | 1.01 |
| myristic acid | – | – | – | – | 0.5 | 0.042 | – | 2.42 |
| L-cysteine | – | – | – | – | 1.9 | 0.039 | – | 1.28 |
| inosine | – | – | – | – | 0.36 | 0.038 | – | 1.02 |
| palmitic acid | – | – | – | – | 0.94 | 0.037 | – | 2.01 |
| hippuric acid | – | – | – | – | 0.47 | 0.035 | – | 2.37 |
| isocitric acid | – | V | – | – | 0.4 | 0.034 | – | 1.44 |
| L-glutamine | – | – | – | – | 0.5 | 0.033 | – | 1.44 |
| L-serine | – | – | – | – | 2.71 | 0.033 | – | 1.29 |
| succinic acid | – | V | – | – | 7.21 | 0.033 | – | 1.42 |
| palmitic acid | – | – | – | – | 1.85 | 0.032 | – | 1.53 |
| L-alanine | – | – | – | – | 8.6 | 0.031 | – | 1.19 |
| creatinine | – | – | – | – | 1.71 | 0.029 | – | 1.94 |
| L-threonine | – | V | – | – | 4.07 | 0.029 | – | 1.74 |
| inositol | – | – | – | – | 0.63 | 0.028 | – | 1.17 |
| isocitric acid | – | – | – | – | 0.53 | 0.023 | – | 1.67 |
| oleic acid | – | – | – | – | 0.78 | 0.023 | – | 1.45 |
| L-glycine | – | V | – | – | 0.91 | 0.022 | – | 1.33 |
| L-phenylalanine | – | – | – | – | 1.03 | 0.022 | – | 7.53 |
| stearic acid | – | – | – | – | 1.36 | 0.022 | – | 1.88 |
| gluconic acid | – | – | – | – | 3.35 | 0.021 | – | 2.01 |
| arabitol | – | – | – | – | 2.72 | 0.02 | – | 1.36 |
| arachidonic acid | – | – | – | – | 0.65 | 0.02 | – | 1.98 |
| galactaric acid | – | – | – | – | 3.26 | 0.019 | – | 1.56 |
| L-ornithine | – | – | – | – | 0.7 | 0.018 | – | 8.97 |
| adipic acid | – | V | – | – | 3.96 | 0.017 | – | 2.21 |
| fructose | – | – | – | – | 0.58 | 0.017 | – | 1.66 |
| L-glycine | – | – | – | – | 0.6 | 0.017 | – | 1.49 |
| glyceric acid | – | – | – | – | 4.12 | 0.013 | – | 1.79 |
| isocitric acid | – | – | – | – | 0.77 | 0.013 | – | 2.27 |
| lactic acid | – | – | – | – | 0.62 | 0.012 | – | 1.96 |
| L-serine | – | – | – | – | 0.67 | 0.012 | – | 1.12 |
| margaric acid | – | V | – | – | 0.42 | 0.012 | – | 2.24 |
| phosphoric acid | – | V | – | – | 0.39 | 0.011 | – | 1.61 |
| urea | – | – | – | – | 8.84 | 0.011 | – | 1.85 |
| butanoic acid | – | – | – | – | 5.17 | 0.01 | – | 1.52 |
| tartaric acid | – | – | – | – | 0.54 | 0.01 | – | 1.2 |
| fructose | – | V | – | – | 0.69 | 0.009 | – | 2.24 |
| L-cysteine | – | – | – | – | 0.91 | 0.009 | – | 1.48 |
| L-threonine | – | – | – | – | 1.54 | 0.009 | – | 1.38 |
| threonic acid | – | – | – | – | 2.03 | 0.009 | – | 1.93 |
| palmitic acid | – | – | – | – | 1.37 | 0.008 | – | 2.11 |
| inositol | – | V | – | – | 0.17 | 0.005 | – | 1.59 |
| L-glycine | – | V | – | – | 0.29 | 0.005 | – | 2.46 |
| malonic acid | – | V | – | – | 3.31 | 0.005 | – | 1.73 |
| phosphoric acid | – | V | – | – | 0.82 | 0.005 | – | 1.63 |
| glycerol | – | V | – | – | 0.59 | 0.004 | – | 2.18 |
| uridine | – | V | – | – | 0.6 | 0.004 | – | 5.82 |
| glucuronic acid | – | – | – | – | 1.84 | 0.003 | – | 1.28 |
| ribitol | – | V | – | – | 2.76 | 0.003 | – | 1.29 |
| sorbitol | – | – | – | – | 2.37 | 0.003 | – | 1.24 |
| uric acid | – | V | – | – | 0.38 | 0.003 | – | 2.64 |
| inositol | – | – | – | – | 0.56 | 0.002 | – | 1.66 |
| L-proline | – | – | – | – | 0.64 | 0.002 | – | 1.39 |
| malonic acid | – | V | – | – | 1.02 | 0.002 | – | 1.02 |
| glucose | – | V | – | – | 2.29 | 0.001 | – | 2.74 |
| L-valine | – | V | – | – | 0.53 | 0.001 | – | 1.5 |
| stearic acid | – | V | – | – | 0.41 | 0.001 | – | 11.38 |
| aconitic acid | – | V | – | – | 2.09 | 0 | – | 1.51 |
| L-asparagine | – | V | – | – | 0.52 | 0 | – | 2.57 |
| purine | – | – | – | – | 3.72 | 0 | – | 1.87 |
| stearic acid | – | V | – | – | 2.79 | 0 | – | 2.1 |
| Metabolite | Comparative study | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|---|
| glucaric acid | – | V | – | 0.93 | – | – | – |
| acetic acid | – | – | – | 0.52 | – | – | – |
| L-aspartate | – | – | – | 0.74 | – | – | – |
| L-aspartate | – | – | – | 0.73 | – | – | – |
| phosphoric acid | – | V | – | 0.79 | – | – | – |
| deoxy-glucose | – | V | – | 0.8 | – | – | – |
| uric acid | – | V | – | 0.75 | – | – | – |
| acetic acid | – | – | – | 0.59 | – | – | – |
| galactose | – | – | – | 0.68 | – | – | – |
| L-glutamine | – | – | – | 0.67 | – | – | – |
| ribonic acid | – | – | – | 0.66 | – | – | – |
| L-proline | – | – | – | 0.63 | – | – | – |
| myristic acid | – | – | – | 0.73 | – | – | – |
| L-cysteine | – | – | – | 0.64 | – | – | – |
| inosine | – | – | – | 0.63 | – | – | – |
| palmitic acid | – | – | – | 0.53 | – | – | – |
| hippuric acid | – | – | – | 0.69 | – | – | – |
| isocitric acid | – | V | – | 0.75 | – | – | – |
| L-glutamine | – | – | – | 0.66 | – | – | – |
| L-serine | – | – | – | 0.61 | – | – | – |
| succinic acid | – | V | – | 0.81 | – | – | – |
| palmitic acid | – | – | – | 0.7 | – | – | – |
| L-alanine | – | – | – | 0.59 | – | – | – |
| creatinine | – | – | – | 0.67 | – | – | – |
| L-threonine | – | V | – | 0.82 | – | – | – |
| inositol | – | – | – | 0.58 | – | – | – |
| isocitric acid | – | – | – | 0.57 | – | – | – |
| oleic acid | – | – | – | 0.54 | – | – | – |
| L-glycine | – | V | – | 0.76 | – | – | – |
| L-phenylalanine | – | – | – | 0.73 | – | – | – |
| stearic acid | – | – | – | 0.64 | – | – | – |
| gluconic acid | – | – | – | 0.74 | – | – | – |
| arabitol | – | – | – | 0.63 | – | – | – |
| arachidonic acid | – | – | – | 0.67 | – | – | – |
| galactaric acid | – | – | – | 0.67 | – | – | – |
| L-ornithine | – | – | – | 0.65 | – | – | – |
| adipic acid | – | V | – | 0.75 | – | – | – |
| fructose | – | – | – | 0.6 | – | – | – |
| L-glycine | – | – | – | 0.74 | – | – | – |
| glyceric acid | – | – | – | 0.74 | – | – | – |
| isocitric acid | – | – | – | 0.61 | – | – | – |
| lactic acid | – | – | – | 0.65 | – | – | – |
| L-serine | – | – | – | 0.67 | – | – | – |
| margaric acid | – | V | – | 0.78 | – | – | – |
| phosphoric acid | – | V | – | 0.75 | – | – | – |
| urea | – | – | – | 0.7 | – | – | – |
| butanoic acid | – | – | – | 0.68 | – | – | – |
| tartaric acid | – | – | – | 0.72 | – | – | – |
| fructose | – | V | – | 0.75 | – | – | – |
| L-cysteine | – | – | – | 0.54 | – | – | – |
| L-threonine | – | – | – | 0.69 | – | – | – |
| threonic acid | – | – | – | 0.7 | – | – | – |
| palmitic acid | – | – | – | 0.69 | – | – | – |
| inositol | – | V | – | 0.76 | – | – | – |
| L-glycine | – | V | – | 0.82 | – | – | – |
| malonic acid | – | V | – | 0.79 | – | – | – |
| phosphoric acid | – | V | – | 0.77 | – | – | – |
| glycerol | – | V | – | 0.88 | – | – | – |
| uridine | – | V | – | 0.76 | – | – | – |
| glucuronic acid | – | – | – | 0.73 | – | – | – |
| ribitol | – | V | – | 0.79 | – | – | – |
| sorbitol | – | – | – | 0.67 | – | – | – |
| uric acid | – | V | – | 0.79 | – | – | – |
| inositol | – | – | – | 0.74 | – | – | – |
| L-proline | – | – | – | 0.71 | – | – | – |
| malonic acid | – | V | – | 0.75 | – | – | – |
| glucose | – | V | – | 0.82 | – | – | – |
| L-valine | – | V | – | 0.75 | – | – | – |
| stearic acid | – | V | – | 0.8 | – | – | – |
| aconitic acid | – | V | – | 0.81 | – | – | – |
| L-asparagine | – | V | – | 0.83 | – | – | – |
| purine | – | – | – | 0.54 | – | – | – |
| stearic acid | – | V | – | 0.88 | – | – | – |
Paper graphical summary
