title: NMR-based metabolomic approach to study urine samples of chronic inflammatory rheumatic disease patients.
abstract: The nuclear magnetic resonance (NMR)-based metabolomic approach was used as analytical methodology to study the urine samples of chronic inflammatory rheumatic disease (CIRD) patients. The urine samples of CIRD patients were compared to the ones of both healthy subjects and patients with multiple sclerosis (MS), another immuno-mediated disease. Urine samples collected from 39 CIRD patients, 25 healthy subjects, and 26 MS patients were analyzed using1H NMR spectroscopy, and the NMR spectra were examined using partial least squares-discriminant analysis (PLS-DA). PLS-DA models were validated by a double cross-validation procedure and randomization tests. Clear discriminations between CIRD patients and healthy controls (average diagnostic accuracy 83.5 ± 1.9%) as well as between CIRD patients and MS patients (diagnostic accuracy 81.1 ± 1.9%) were obtained. Leucine, alanine, 3-hydroxyisobutyric acid, hippuric acid, citric acid, 3-hydroxyisovaleric acid, and creatinine contributed to the discrimination; all of them being in a lower concentration in CIRD patients as compared to controls or to MS patients. The application of NMR metabolomics to study these still poorly understood diseases can be useful to better clarify the pathologic mechanisms; moreover, as a holistic approach, it allowed the detection of, by means of anomalous metabolic traits, the presence of other pathologies or pharmaceutical treatments not directly connected to CIRDs, giving comprehensive information on the general health state of individuals. Graphical abstract NMR-based metabolomic approach as a tool to study urine samples in CIRD patients with respect to MS patients and healthy controls.
authors.affiliation: Magnetic Resonance Center (CERM), University of Florence, Via Luigi Sacconi, 50019, Sesto Fiorentino, Italy.
authors.forename: Alessia
authors.initials: A
authors.lastname: Vignoli
authors.affiliation: Department of Public Health and Infectious Diseases, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Donatella Maria
authors.initials: DM
authors.lastname: Rodio
authors.affiliation: Department of Public Health and Infectious Diseases, Institute Pasteur, Cenci Bolognetti Foundation, Sapienza University of Rome, Viale Regina Elena 291, 00161, Rome, Italy.
authors.forename: Anna
authors.initials: A
authors.lastname: Bellizzi
authors.affiliation: Institute of Chemical Methodologies, "Annalaura Segre" Magnetic Resonance Laboratory, CNR, Via Salaria Km 29,300, 00015, Monterotondo, Italy.
authors.forename: Anatoly Petrovich
authors.initials: AP
authors.lastname: Sobolev
authors.affiliation: Department of Public Health and Infectious Diseases, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Elena
authors.initials: E
authors.lastname: Anzivino
authors.affiliation: Department of Public Health and Infectious Diseases, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Monica
authors.initials: M
authors.lastname: Mischitelli
authors.affiliation: FiorGen Foundation, Via Luigi Sacconi 6, 50019, Sesto Fiorentino, Italy.
authors.forename: Leonardo
authors.initials: L
authors.lastname: Tenori
authors.affiliation: Department of Chemistry, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Federico
authors.initials: F
authors.lastname: Marini
authors.affiliation: Department of Internal Medicine and Medical Specialties, Rheumatology Unit, Sapienza University of Rome, Viale del Policlinico 155, 00161, Rome, Italy.
authors.forename: Roberta
authors.initials: R
authors.lastname: Priori
authors.affiliation: Department of Internal Medicine and Medical Specialties, Rheumatology Unit, Sapienza University of Rome, Viale del Policlinico 155, 00161, Rome, Italy.
authors.forename: Rossana
authors.initials: R
authors.lastname: Scrivo
authors.affiliation: Department of Internal Medicine and Medical Specialties, Rheumatology Unit, Sapienza University of Rome, Viale del Policlinico 155, 00161, Rome, Italy. guido.valesini@uniroma1.it.
authors.forename: Guido
authors.initials: G
authors.lastname: Valesini
authors.affiliation: Department of Neurology and Psychiatry, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Ada
authors.initials: A
authors.lastname: Francia
authors.affiliation: Department of Neurology and Psychiatry, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Manuela
authors.initials: M
authors.lastname: Morreale
authors.affiliation: Department of Public Health and Infectious Diseases, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Maria Rosa
authors.initials: MR
authors.lastname: Ciardi
authors.affiliation: Department of Public Health and Infectious Diseases, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Marco
authors.initials: M
authors.lastname: Iannetta
authors.affiliation: Department of Drug Chemistry and Technologies, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Cristiana
authors.initials: C
authors.lastname: Campanella
authors.affiliation: Institute of Chemical Methodologies, "Annalaura Segre" Magnetic Resonance Laboratory, CNR, Via Salaria Km 29,300, 00015, Monterotondo, Italy.
authors.forename: Donatella
authors.initials: D
authors.lastname: Capitani
authors.affiliation: Magnetic Resonance Center (CERM), University of Florence, Via Luigi Sacconi, 50019, Sesto Fiorentino, Italy.|Department of Chemistry, University of Florence, Via della Lastruccia, 3-13, 50019, Sesto Fiorentino, Italy.
authors.forename: Claudio
authors.initials: C
authors.lastname: Luchinat
authors.affiliation: Department of Public Health and Infectious Diseases, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Valeria
authors.initials: V
authors.lastname: Pietropaolo
authors.affiliation: Institute of Chemical Methodologies, "Annalaura Segre" Magnetic Resonance Laboratory, CNR, Via Salaria Km 29,300, 00015, Monterotondo, Italy.|Department of Drug Chemistry and Technologies, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185, Rome, Italy.
authors.forename: Luisa
authors.initials: L
authors.lastname: Mannina
mesh_terms: D000328:Adult; D016022:Case-Control Studies; D002908:Chronic Disease; D005260:Female; D006801:Humans; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008297:Male; D055432:Metabolomics; D008875:Middle Aged; D009103:Multiple Sclerosis / Q000652:urine; D012216:Rheumatic Diseases / Q000652:urine*
keywords: Chronic inflammatory rheumatic diseases; Metabolomics; Multivariate data analysis; Nuclear magnetic resonance spectroscopy; Urine