Conformational Dynamics in Ion Mobility Data
Résumé
The shape of the spectral features in arrival time distributions (ATDs) recorded by ion mobility spectrometry (IMS) can often be interpreted in terms of the co-existence of different isomeric species. Interconversion between such species is also acknowledged to influence the shape of the ATD, even if no general quantitative description of this effect is available. We present an analytical model that allows simulating ATDs resulting from interconverting species. This model is used to reproduce experimental data obtained on a bi-stable system, and to interpret discrepancies between measurements on different types of instruments. We show that the proposed model can be further exploited to extract kinetic and thermodynamic data from tandem-IMS measurements.
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A comme version hal-01637700 Poster dans une conférence Salomé Poyer, Clothilde Comby-Zerbino, Chang Min Choi, Luke Macaleese, Claire Deo, et al.. Conformational Dynamics in Ion Mobility Data. 65th American Society Mass Spectrometry Conference, Jun 2017, Indianapolis, United States. 2017. ⟨hal-01637700⟩
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A comme version hal-01637719 Poster dans une conférence Salomé Poyer, Clothilde Comby-Zerbino, Chang Min Choi, Luke Macaleese, Claire Deo, et al.. Conformational Dynamics in Ion Mobility Data. Spectrométrie de Masse, Métabolomique, Fluxomique et Electrophorèse, et Analyse Protéomique, Oct 2017, Marne-la-Vallée, France. 2017. ⟨hal-01637719⟩