Discovering new metabolite alterations in primary Sjögren’s Syndrome in urinary and plasma samples using an HPLC-ESI-QTOF-MS methodology Fernández Ochoa, Álvaro Borras Linares, María Isabel Quirantes-Piné, Rosa PRECISESADS Clinical Consortium Alarcón Riquelme, Marta Eugenia Beretta, Lorenzo Segura Carretero, Antonio Metabolomics HPLC-ESI-QTOF-MS Sjögren’s Syndrome biomarkers unsaturated fatty acids phosphatidylinositols The work described has received support from the Innovative Medicines Initiative Joint Undertaking under grant agreement No. 115565, the resources for which are composed of a financial contribution from the European Union’s Seventh Framework Programme (FP7/2007-2013) and the European Federation of Pharmaceutical Industries and Associations (EFPIA) companies’ in-kind contribution. We thank all the members of PRECISESADS Clinical Consortium (Table 6S) for their effort in the sample recruitment, distribution and assessment of the samples used in this study. The author AFO gratefully acknowledges the Spanish Ministry of Education, Culture and Sports for the FPU grant (FPU14/03992). Sjögren’s Syndrome (SjS) is a complex autoimmune disease characterized by the affection of the exocrine glands and the involvement of multiple organs. Although a greater number of biomarker studies have been carried out in recent years, the origin and pathogenesis are not yet well known and therefore there is a need to continue studying this pathology. This work aims to find metabolic changes in biological samples (plasma and urine), which could help identify the metabolic pathways affected by the SjS pathogenesis. The samples collected from SjS patients and healthy volunteers were analyzed by a fingerprinting metabolomic approach based on HPLC-ESI-QTOF-MS methodology. After feature pre-selection by univariate statistical tests, an integrated PLS-DA model using data from urine and plasma was constructed obtaining a good classification between cases and controls (AUROC = 0.839 ± 0.021). 31 and 38 metabolites in plasma and urine, respectively, showed significant differences between healthy volunteers and SjS patients and were proposed for their identification. From them, 12 plasma and 24 urinary metabolites could be annotated. In general, the main metabolic pathways altered in SjS patients were related to the metabolism of phospholipids, fatty acids, and amino acids, specially tryptophan, proline and phenylalanine. 2025-03-19T12:46:19Z 2025-03-19T12:46:19Z 2019-11-20 journal article Published version: Fernández Ochoa, Álvaro et al. Journal of Pharmaceutical and Biomedical Analysis Volume 179, 5 February 2020, 112999. https://doi.org/10.1016/j.jpba.2019.112999 https://hdl.handle.net/10481/103190 10.1016/j.jpba.2019.112999 eng info:eu-repo/grantAgreement/EC/FP7/115565 http://creativecommons.org/licenses/by-nc-nd/4.0/ open access Attribution-NonCommercial-NoDerivatives 4.0 Internacional Elsevier