Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics
Precision medicine may significantly contribute to rapid disease diagnosis and targeted therapy, but relies on the availability of detailed, subject specific, clinical information. Proton nuclear magnetic resonance (<sup>1</sup>H⁻NMR) spectroscopy of body fluids can extract ind...
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MDPI AG
2018-10-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/19/11/3288 |
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| author | Panteleimon G. Takis Antonio Taddei Riccardo Pini Stefano Grifoni Francesca Tarantini Paolo Bechi Claudio Luchinat |
| author_facet | Panteleimon G. Takis Antonio Taddei Riccardo Pini Stefano Grifoni Francesca Tarantini Paolo Bechi Claudio Luchinat |
| author_sort | Panteleimon G. Takis |
| collection | DOAJ |
| description | Precision medicine may significantly contribute to rapid disease diagnosis and targeted therapy, but relies on the availability of detailed, subject specific, clinical information. Proton nuclear magnetic resonance (<sup>1</sup>H⁻NMR) spectroscopy of body fluids can extract individual metabolic fingerprints. Herein, we studied 64 patients admitted to the Florence main hospital emergency room with severe abdominal pain. A blood sample was drawn from each patient at admission, and the corresponding sera underwent <sup>1</sup>H⁻NMR metabolomics fingerprinting. Unsupervised Principal Component Analysis (PCA) analysis showed a significant discrimination between a group of patients with symptoms of upper abdominal pain and a second group consisting of patients with diffuse abdominal/intestinal pain. Prompted by this observation, supervised statistical analysis (Orthogonal Partial Least Squares⁻Discriminant Analysis (OPLS-DA)) showed a very good discrimination (>90%) between the two groups of symptoms. This is a surprising finding, given that neither of the two symptoms points directly to a specific disease among those studied here. Actually herein, upper abdominal pain may result from either symptomatic gallstones, cholecystitis, or pancreatitis, while diffuse abdominal/intestinal pain may result from either intestinal ischemia, strangulated obstruction, or mechanical obstruction. Although limited by the small number of samples from each of these six conditions, discrimination of these diseases was attempted. In the first symptom group, >70% discrimination accuracy was obtained among symptomatic gallstones, pancreatitis, and cholecystitis, while for the second symptom group >85% classification accuracy was obtained for intestinal ischemia, strangulated obstruction, and mechanical obstruction. No single metabolite stands up as a possible biomarker for any of these diseases, while the contribution of the whole <sup>1</sup>H⁻NMR serum fingerprint seems to be a promising candidate, to be confirmed on larger cohorts, as a first-line discriminator for these diseases. |
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| language | English |
| last_indexed | 2024-04-12T02:33:09Z |
| publishDate | 2018-10-01 |
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| series | International Journal of Molecular Sciences |
| spelling | doaj.art-6b50997901ba433490affb577a3d67cc2022-12-22T03:51:41ZengMDPI AGInternational Journal of Molecular Sciences1422-00672018-10-011911328810.3390/ijms19113288ijms19113288Fingerprinting Acute Digestive Diseases by Untargeted NMR Based MetabolomicsPanteleimon G. Takis0Antonio Taddei1Riccardo Pini2Stefano Grifoni3Francesca Tarantini4Paolo Bechi5Claudio Luchinat6Giotto Biotech, S.r.l, Via Madonna del Piano 6, 50019 Sesto Fiorentino, ItalyDepartment of Surgery and Translational Medicine, School of Medicine, Careggi University Hospital, Largo Brambilla 3, 50134 Florence, ItalyDepartment of Experimental and Clinical Medicine, University of Florence, Largo Brambilla 3, 50134 Florence, ItalyDepartment of Emergency Medicine and Surgery, Careggi University Hospital, 50134 Florence, ItalyDepartment of Experimental and Clinical Medicine, University of Florence, Largo Brambilla 3, 50134 Florence, ItalyDepartment of Surgery and Translational Medicine, School of Medicine, Careggi University Hospital, Largo Brambilla 3, 50134 Florence, ItalyGiotto Biotech, S.r.l, Via Madonna del Piano 6, 50019 Sesto Fiorentino, ItalyPrecision medicine may significantly contribute to rapid disease diagnosis and targeted therapy, but relies on the availability of detailed, subject specific, clinical information. Proton nuclear magnetic resonance (<sup>1</sup>H⁻NMR) spectroscopy of body fluids can extract individual metabolic fingerprints. Herein, we studied 64 patients admitted to the Florence main hospital emergency room with severe abdominal pain. A blood sample was drawn from each patient at admission, and the corresponding sera underwent <sup>1</sup>H⁻NMR metabolomics fingerprinting. Unsupervised Principal Component Analysis (PCA) analysis showed a significant discrimination between a group of patients with symptoms of upper abdominal pain and a second group consisting of patients with diffuse abdominal/intestinal pain. Prompted by this observation, supervised statistical analysis (Orthogonal Partial Least Squares⁻Discriminant Analysis (OPLS-DA)) showed a very good discrimination (>90%) between the two groups of symptoms. This is a surprising finding, given that neither of the two symptoms points directly to a specific disease among those studied here. Actually herein, upper abdominal pain may result from either symptomatic gallstones, cholecystitis, or pancreatitis, while diffuse abdominal/intestinal pain may result from either intestinal ischemia, strangulated obstruction, or mechanical obstruction. Although limited by the small number of samples from each of these six conditions, discrimination of these diseases was attempted. In the first symptom group, >70% discrimination accuracy was obtained among symptomatic gallstones, pancreatitis, and cholecystitis, while for the second symptom group >85% classification accuracy was obtained for intestinal ischemia, strangulated obstruction, and mechanical obstruction. No single metabolite stands up as a possible biomarker for any of these diseases, while the contribution of the whole <sup>1</sup>H⁻NMR serum fingerprint seems to be a promising candidate, to be confirmed on larger cohorts, as a first-line discriminator for these diseases.https://www.mdpi.com/1422-0067/19/11/3288acute digestive diseasebiliary colicpancreatitismetabolomicsintestinal ischemiaileusintestinal strangulated obstruction |
| spellingShingle | Panteleimon G. Takis Antonio Taddei Riccardo Pini Stefano Grifoni Francesca Tarantini Paolo Bechi Claudio Luchinat Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics International Journal of Molecular Sciences acute digestive disease biliary colic pancreatitis metabolomics intestinal ischemia ileus intestinal strangulated obstruction |
| title | Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics |
| title_full | Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics |
| title_fullStr | Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics |
| title_full_unstemmed | Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics |
| title_short | Fingerprinting Acute Digestive Diseases by Untargeted NMR Based Metabolomics |
| title_sort | fingerprinting acute digestive diseases by untargeted nmr based metabolomics |
| topic | acute digestive disease biliary colic pancreatitis metabolomics intestinal ischemia ileus intestinal strangulated obstruction |
| url | https://www.mdpi.com/1422-0067/19/11/3288 |
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