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A combined targeted/untargeted LC-MS/MS-based screening approach for mammalian cell lines treated with ionic liquids: Toxicity correlates with metabolic profile

Authors :
Alexandra Robciuc
Corinna Sanwald
Susanne K. Wiedmer
Suvi-Katriina Ruokonen
Michael Lämmerhofer
Silmäklinikka
Clinicum
Department of Ophthalmology and Otorhinolaryngology
HUS Head and Neck Center
Department of Chemistry
Susanne Wiedmer / Principal Investigator
Source :
Talanta. 197:472-481
Publication Year :
2019
Publisher :
Elsevier BV, 2019.

Abstract

This work presents the development and validation of a quantitative HILIC UHPLC-ESI-QTOF-MS/MS method for amino acids combined with untargeted metabolic profiling of human corneal epithelial (HCE) cells after treatment with ionic liquids. The work included a preliminary metabotoxicity screening of 14 different ionic liquids, of which 9 carefully selected ionic liquids were chosen for a metabolomics study. This study is focused on the correlation between the toxicity of the ionic liquids and their metabolic profiles. The method development included the comparison of different MS/MS acquisition modes. A sequential window acquisition of all theoretical fragment ion mass spectra (SWATH) method with variable Q1 window widths and narrow Q1 target windows of 5 Da for most of the amino acids was selected as the optimal acquisition mode. Due to the absence of a true blank matrix, C-13,N-15-isotopically labelled amino acids were utilized as surrogate calibrants, instead of proteinogenic amino acids. Partial least squares (PLS) analysis of the median effective concentrations (EC50) of 9 selected ionic liquids showed a correlation with their metabolic profile measured by the untargeted screening.

Details

ISSN :
00399140
Volume :
197
Database :
OpenAIRE
Journal :
Talanta
Accession number :
edsair.doi.dedup.....7bb309c8588772f5b06a9db40105f181
Full Text :
https://doi.org/10.1016/j.talanta.2019.01.054