| Title: | Application of untargeted volatile profiling in inflammatory bowel disease research |
| Author(s): | Arroyo-Manzanares N; Garcia-Nicolas M; Abellan-Alfocea F; Prieto-Baeza L; Campillo N; Del Val Oliver B; Zarauz-Garcia J; Saenz L; Vinas P; |
| Address: | "Department of Analytical Chemistry, Faculty of Chemistry, University of Murcia, Regional Campus of International Excellence 'Campus Mare Nostrum', E-30100, Murcia, Spain. Internal Medicine Service - Gastroenterology and Hepatology Section, Hospital General Universitario Rafael Mendez, Lorca, Spain. Laboratory Medicine Department, Hospital General Universitario Rafael Mendez, Lorca, Spain. Department of Analytical Chemistry, Faculty of Chemistry, University of Murcia, Regional Campus of International Excellence 'Campus Mare Nostrum', E-30100, Murcia, Spain. pilarvir@um.es" |
| DOI: | 10.1007/s00216-023-04748-x |
| ISSN/ISBN: | 1618-2650 (Electronic) 1618-2642 (Print) 1618-2642 (Linking) |
| Abstract: | "Inflammatory bowel disease (IBD) diagnosis depends on criteria based on histological, endoscopic, radiological, and clinical results. These studies show drawbacks as being expensive, invasive, and time-consuming. In this work, an untargeted metabolomic strategy based on the monitoring of volatile compounds in serum by headspace gas chromatography-mass spectrometry is proposed as a complementary, fast, and efficient test for IBD patient diagnosis. To develop the method and build a chemometric model that allows the IBD diagnosis, serum samples including IBD patients and healthy volunteers were collected. Analyses were performed by incubating 400 microL of serum for 10 min at 90 degrees C. For data processing, an untargeted metabolomic strategy was used. A total of 96 features were detected, of which a total of 10 volatile compounds could be identified and confirmed by means of the analysis of real standards. The chemometric treatment consisted of a discriminant analysis of orthogonal partial least squares (OPLS-DA) obtaining a 100% of classification rate, since all the analyzed samples were correctly classified" |
| Keywords: | Humans Gas Chromatography-Mass Spectrometry/methods *Inflammatory Bowel Diseases/diagnosis Discriminant Analysis Metabolomics/methods Least-Squares Analysis *Volatile Organic Compounds/analysis Chemometrics Gas chromatography-mass spectrometry Headspace I; |
| Notes: | "MedlineArroyo-Manzanares, Natalia Garcia-Nicolas, Maria Abellan-Alfocea, Fuensanta Prieto-Baeza, Laura Campillo, Natalia Del Val Oliver, Blanca Zarauz-Garcia, Jose Saenz, Luis Vinas, Pilar eng PID2021-123201NB-I00/Ministerio de Ciencia e Innovacion/ Germany 2023/05/26 Anal Bioanal Chem. 2023 Jul; 415(17):3571-3579. doi: 10.1007/s00216-023-04748-x. Epub 2023 May 26" |
