Alignment of multiple metabolomics LC-MS datasets from disparate diseases to reveal fever-associated metabolites

Năstase, A.-M. et al. (2023) Alignment of multiple metabolomics LC-MS datasets from disparate diseases to reveal fever-associated metabolites. PLoS Neglected Tropical Diseases, 17(7), e0011133. (doi: 10.1371/journal.pntd.0011133) (PMID:37486920) (PMCID:PMC10399774)

Abstract

Acute febrile illnesses are still a major cause of mortality and morbidity globally, particularly in low to middle income countries. The aim of this study was to determine any possible metabolic commonalities of patients infected with disparate pathogens that cause fever. Three liquid chromatography-mass spectrometry (LC-MS) datasets investigating the metabolic effects of malaria, leishmaniasis and Zika virus infection were used. The retention time (RT) drift between the datasets was determined using landmarks obtained from the internal standards generally used in the quality control of the LC-MS experiments. Fitted Gaussian Process models (GPs) were used to perform a high level correction of the RT drift between the experiments, which was followed by standard peakset alignment between the samples with corrected RTs of the three LC-MS datasets. Statistical analysis, annotation and pathway analysis of the integrated peaksets were subsequently performed. Metabolic dysregulation patterns common across the datasets were identified, with kynurenine pathway being the most affected pathway between all three fever-associated datasets.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Regnault, Mr Clement and Barrett, Professor Michael and Nastase, Ms Ana-Maria and Rogers, Dr Simon

Creator Roles

Năstase, A.-M.: Conceptualization, Formal analysis, Investigation, Methodology, Validation, Visualization, Writing – original draft, Writing – review and editing
Barrett, M. P.: Conceptualization, Methodology, Supervision, Writing – review and editing
Regnault, C.: Data curation
Rogers, S.: Conceptualization, Methodology, Supervision, Writing – review and editing

• Authors: Năstase, A.-M., Barrett, M. P., Cárdenas, W. B., Cordeiro, F. B., Zambrano, M., Andrade, J., Chang, J., Regato, M., Carrillo, E., Botana, L., Moreno, J., Regnault, C., Milne, K., Spence, P. J., Rowe, J. A., and Rogers, S.
• College/School: College of Medical Veterinary and Life Sciences > School of Infection & Immunity; College of Science and Engineering > School of Computing Science
• Journal Name: PLoS Neglected Tropical Diseases
• Publisher: Public Library of Science
• ISSN: 1935-2727
• ISSN (Online): 1935-2735
• Published Online: 24 July 2023
• Copyright Holders: Copyright © 2023 Năstase et al.
• First Published: First published in PLoS Neglected Tropical Diseases 17(7):e0011133
• Publisher Policy: Reproduced under a Creative Commons license

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