en
Scientific article
Open access
English

New insights into the conversion of electropherograms to the effective electrophoretic mobility scale

Published inElectrophoresis, vol. 42, no. 19, p. 1875-1884
Publication date2021-10-05
First online date2021-07-19
Abstract

CE–MS is increasingly gaining momentum as an analytical tool in metabolomics, due to its ability to obtain information about the most polar elements in biological samples. This has been helped by improvements of robustness in peak identification by means of mobility-scale representations of the electropherograms (mobilograms). As a necessary step toward facilitating the use of CE–MS for untargeted metabolomics data, the authors previously developed and introduced ROMANCE, a software automating mobilogram generation for large untargeted datasets through a simple and self-contained user interface. Herein, we introduce a new version of ROMANCE including new features such as compatibility with other types of data (targeted MS data and 2D UV-Vis absorption-like electropherograms), and the much needed additional flexibility in the transformation parameters (including field ramping and the use of secondary markers), more measurement conditions (depending on detection and integration modes), and most importantly tackling the issue of quantitative peak conversion. First, we present a review of the current theoretical framework with regard to peak characterization, and we develop new formulas for multiple marker peak area corrections, for anticipating peak position precision, and for assessing peak shape distortion. Then, the new version of the software is presented and validated experimentally. We contrast the multiple marker mobility transformations with previous results, finding increased peak position precision, and finally we showcase an application to actual untargeted metabolomics data.

eng
Keywords
  • Area correction
  • Compound identification
  • Electrophoretic mobility
  • Fundamentals
  • Quantitation
Funding
Citation (ISO format)
CODESIDO SANCHEZ, Santiago et al. New insights into the conversion of electropherograms to the effective electrophoretic mobility scale. In: Electrophoresis, 2021, vol. 42, n° 19, p. 1875–1884. doi: 10.1002/elps.202000333
Main files (1)
Article (Published version)
Identifiers
ISSN of the journal0173-0835
100views
45downloads

Technical informations

Creation01/18/2022 8:36:00 AM
First validation01/18/2022 8:36:00 AM
Update time03/16/2023 2:45:47 AM
Status update03/16/2023 2:45:46 AM
Last indexation02/01/2024 7:50:49 AM
All rights reserved by Archive ouverte UNIGE and the University of GenevaunigeBlack