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J Pharm Biomed Anal. 2019 Dec 23;180:113069. doi: 10.1016/j.jpba.2019.113069. [Epub ahead of print]
Metabolic and lipidomic characterization of malignant pleural effusion in human lung cancer.
Yang Z, Song Z, Chen Z, Guo Z, Jin H, Ding C, Hong Y, Cai Z.
Analytical methods | ||
|---|---|---|
| Comparative study | #1 | |
| Chromatography | LC | |
| Ion source | ESI | |
| Positive/Negative mode | both | |
| Mass analyzer | Q-Orbitrap | |
| Identification level | MS/MS | |
Sample information | ||
|---|---|---|
| Comparative study | #1 | |
| Country | China | |
| Specimen | pleural effusion | |
| Marker function | diagnosis | |
| Participants(Case) | Cancer type | adenocarcinoma |
| Stage | – | |
| Number | 46 | |
| Gender (M,F) | 15, 31 | |
| Mean age (range) (M,F) | 63 ± 12 | |
| Smoking status | – | |
| Participants(Control) | Type | pulmonary tuberculosis, other pulmonary diseases |
| Number | 32 | |
| Gender (M,F) | 26, 6 | |
| Mean age (range) (M,F) | 49 ± 19 | |
| Smoking status | – | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | XCMS |
| Database search | HMDB, METLIN, LipidSearch |
Statistical analysis | |
|---|---|
| Differential analysis method | PLS-DA |
| Classification method | ROC analysis |
| Survival analysis method | – |
Lung cancer-related metabolites identified in the paper
| Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
|---|---|---|---|---|---|---|---|
| HpOTrE | – | – | – | 3.51 | – | 5.26e-04 | 3.02 |
| HOTrE | – | – | – | 3.50 | – | 1.61e-05 | 3.21 |
| DiHOME | – | – | – | 3.24 | – | 8.05e-05 | 2.35 |
| HODE | – | – | – | 3.08 | – | 4.49e-03 | 1.94 |
| HpODE | – | – | – | 2.83 | – | 1.27e-03 | 2.81 |
| octadecadienoic acid | – | – | – | 2.81 | – | 2.04e-05 | 2.95 |
| OxoOTrE | – | – | – | 2.63 | – | 1.58e-04 | 3.70 |
| OxoODE | – | – | – | 2.60 | – | 3.02e-04 | 2.93 |
| PC(15:0/20:2) | – | – | – | 2.03 | – | 2.38e-04 | 1.73 |
| glutamate | – | – | – | 1.84 | – | 1.20e-04 | 1.69 |
| ChE(16:1) | – | – | – | 1.59 | – | 3.69e-03 | 1.18 |
| citric acid | – | – | – | 1.53 | – | 8.82e-03 | 1.24 |
| PI(18:0/20:3) | – | – | – | 1.52 | – | 1.12e-04 | 1.19 |
| ChE(18:3) | – | – | – | 1.49 | – | 1.97e-03 | 1.10 |
| PC(16:0/22:4) | – | – | – | 1.47 | – | 1.09e-03 | 1.17 |
| arginine | – | – | – | 1.38 | – | 9.00e-05 | 1.04 |
| PC(18:1p/22:6) | – | – | – | 1.34 | – | 9.35e-03 | 1.10 |
| PC(19:0/18:2) | – | – | – | 1.23 | – | 9.19e-03 | 0.80 |
| phSM(d42:1) | – | – | – | 1.23 | – | 6.84e-03 | 0.72 |
| PC(40:6e) | – | – | – | 0.71 | – | 2.60e-04 | 1.20 |
| TG(18:3/18:2/20:4) | – | – | – | 0.71 | – | 0.01 | 1.04 |
| N1-Acetyl-spermidine | – | – | – | 0.70 | – | 0.02 | 1.14 |
| PC(42:1) | – | – | – | 0.69 | – | 6.01e-04 | 1.21 |
| PC(33:0) | – | – | – | 0.68 | – | 1.62e-03 | 1.24 |
| PC(16:0e/20:4) | – | – | – | 0.67 | – | 1.54e-08 | 1.39 |
| PC(18:0p/22:5) | – | – | – | 0.67 | – | 5.48e-05 | 1.17 |
| PC(36:4e) | – | – | – | 0.67 | – | 1.16e-08 | 1.55 |
| LPC(18:0p) | – | – | – | 0.66 | – | 3.52e-03 | 1.20 |
| PC(34:2e) | – | – | – | 0.66 | – | 4.95e-06 | 1.46 |
| phSM(d34:2) | – | – | – | 0.66 | – | 2.38e-06 | 1.37 |
| Cer(d18:1/16:0) | – | – | – | 0.65 | – | 9.35e-03 | 1.17 |
| dodecanoyl-carnitine | – | – | – | 0.63 | – | 7.76e-03 | 1.19 |
| PC(40:7p) | – | – | – | 0.63 | – | 3.43e-04 | 1.38 |
| SM(d32:0) | – | – | – | 0.63 | – | 1.63e-04 | 1.39 |
| PE(18:1p/18:1) | – | – | – | 0.62 | – | 3.12e-03 | 1.27 |
| Cer(d18:2/24:1) | – | – | – | 0.61 | – | 5.52e-06 | 1.60 |
| LPC(26:0) | – | – | – | 0.60 | – | 4.96e-05 | 1.52 |
| TG(18:2/18:2/22:6) | – | – | – | 0.60 | – | 1.10e-04 | 1.54 |
| PC(30:0e) | – | – | – | 0.59 | – | 2.27e-05 | 1.56 |
| PC(34:0e) | – | – | – | 0.59 | – | 1.66e-06 | 1.68 |
| PC(44:7e) | – | – | – | 0.58 | – | 4.78e-05 | 1.56 |
| PE(16:0p/20:4) | – | – | – | 0.58 | – | 9.53e-07 | 1.74 |
| LPC(26:1) | – | – | – | 0.57 | – | 3.34e-05 | 1.63 |
| LPC(20:4) | – | – | – | 0.56 | – | 1.55e-03 | 1.28 |
| PC(38:6e) | – | – | – | 0.56 | – | 8.21e-06 | 1.70 |
| 2-methylbutyrylcarnitine | – | – | – | 0.54 | – | 4.61e-03 | 1.32 |
| PC(44:6e) | – | – | – | 0.54 | – | 4.12e-07 | 1.85 |
| PC(40:3p) | – | – | – | 0.53 | – | 2.43e-11 | 2.05 |
| PE(18:0p/18:1) | – | – | – | 0.53 | – | 5.00e-03 | 1.37 |
| LPC(20:2) | – | – | – | 0.52 | – | 3.19e-05 | 1.58 |
| PC(36:0e) | – | – | – | 0.52 | – | 1.38e-05 | 1.75 |
| PC(42:3p) | – | – | – | 0.52 | – | 5.52e-08 | 1.94 |
| PC(18:0e/22:4) | – | – | – | 0.51 | – | 3.92e-09 | 1.86 |
| LPC(20:0e) | – | – | – | 0.50 | – | 5.33e-07 | 1.95 |
| PC(40:5e) | – | – | – | 0.48 | – | 9.17e-07 | 1.97 |
| PC(35:0) | – | – | – | 0.47 | – | 1.62e-03 | 1.63 |
| cortisol | – | – | – | 0.43 | – | 0.04 | 1.42 |
| LPC(18:0e) | – | – | – | 0.41 | – | 3.51e-10 | 2.19 |
| myristoylcarnitine | – | – | – | 0.40 | – | 3.88e-04 | 1.74 |
| PE(16:0p/22:4) | – | – | – | 0.40 | – | 2.27e-06 | 2.11 |
| LPC(16:0e) | – | – | – | 0.38 | – | 2.84e-07 | 2.09 |
| glycocholic acid | – | – | – | 0.30 | – | 0.05 | 1.52 |
| Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|
| HpOTrE | – | – | 0.779 | – | – | – |
| HOTrE | – | – | 0.845 | – | – | – |
| DiHOME | – | – | 0.793 | – | – | – |
| HODE | – | – | 0.759 | – | – | – |
| HpODE | – | – | 0.787 | – | – | – |
| octadecadienoic acid | – | – | 0.837 | – | – | – |
| OxoOTrE | – | – | 0.805 | – | – | – |
| OxoODE | – | – | 0.801 | – | – | – |
| PC(15:0/20:2) | – | – | 0.782 | – | – | – |
| glutamate | – | – | 0.839 | – | – | – |
| ChE(16:1) | – | – | 0.73 | – | – | – |
| citric acid | – | – | 0.728 | – | – | – |
| PI(18:0/20:3) | – | – | 0.763 | – | – | – |
| ChE(18:3) | – | – | 0.731 | – | – | – |
| PC(16:0/22:4) | – | – | 0.738 | – | – | – |
| arginine | – | – | 0.81 | – | – | – |
| PC(18:1p/22:6) | – | – | 0.715 | – | – | – |
| PC(19:0/18:2) | – | – | 0.643 | – | – | – |
| phSM(d42:1) | – | – | 0.673 | – | – | – |
| PC(40:6e) | – | – | 0.816 | – | – | – |
| TG(18:3/18:2/20:4) | – | – | 0.716 | – | – | – |
| N1-Acetyl-spermidine | – | – | 0.734 | – | – | – |
| PC(42:1) | – | – | 0.781 | – | – | – |
| PC(33:0) | – | – | 0.763 | – | – | – |
| PC(16:0e/20:4) | – | – | 0.892 | – | – | – |
| PC(18:0p/22:5) | – | – | 0.782 | – | – | – |
| PC(36:4e) | – | – | 0.912 | – | – | – |
| LPC(18:0p) | – | – | 0.733 | – | – | – |
| PC(34:2e) | – | – | 0.861 | – | – | – |
| phSM(d34:2) | – | – | 0.813 | – | – | – |
| Cer(d18:1/16:0) | – | – | 0.696 | – | – | – |
| dodecanoyl-carnitine | – | – | 0.744 | – | – | – |
| PC(40:7p) | – | – | 0.804 | – | – | – |
| SM(d32:0) | – | – | 0.817 | – | – | – |
| PE(18:1p/18:1) | – | – | 0.714 | – | – | – |
| Cer(d18:2/24:1) | – | – | 0.861 | – | – | – |
| LPC(26:0) | – | – | 0.813 | – | – | – |
| TG(18:2/18:2/22:6) | – | – | 0.784 | – | – | – |
| PC(30:0e) | – | – | 0.83 | – | – | – |
| PC(34:0e) | – | – | 0.884 | – | – | – |
| PC(44:7e) | – | – | 0.821 | – | – | – |
| PE(16:0p/20:4) | – | – | 0.868 | – | – | – |
| LPC(26:1) | – | – | 0.833 | – | – | – |
| LPC(20:4) | – | – | 0.733 | – | – | – |
| PC(38:6e) | – | – | 0.839 | – | – | – |
| 2-methylbutyrylcarnitine | – | – | 0.733 | – | – | – |
| PC(44:6e) | – | – | 0.877 | – | – | – |
| PC(40:3p) | – | – | 0.953 | – | – | – |
| PE(18:0p/18:1) | – | – | 0.721 | – | – | – |
| LPC(20:2) | – | – | 0.793 | – | – | – |
| PC(36:0e) | – | – | 0.864 | – | – | – |
| PC(42:3p) | – | – | 0.902 | – | – | – |
| PC(18:0e/22:4) | – | – | 0.892 | – | – | – |
| LPC(20:0e) | – | – | 0.858 | – | – | – |
| PC(40:5e) | – | – | 0.894 | – | – | – |
| PC(35:0) | – | – | 0.767 | – | – | – |
| cortisol | – | – | 0.859 | – | – | – |
| LPC(18:0e) | – | – | 0.935 | – | – | – |
| myristoylcarnitine | – | – | 0.79 | – | – | – |
| PE(16:0p/22:4) | – | – | 0.909 | – | – | – |
| LPC(16:0e) | – | – | 0.889 | – | – | – |
| glycocholic acid | – | – | 0.744 | – | – | – |
Paper graphical summary
