title: Conformational Dynamics in Ion Mobility Data.
abstract: 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 coexistence 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 bistable 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.
authors.affiliation: LAMBE, Université Evry Val d'Essonne, CEA, CNRS, Université Paris-Saclay , F-91025, Evry, France.
authors.forename: Salomé
authors.initials: S
authors.lastname: Poyer
authors.affiliation: Univ Lyon, Université Claude Bernard Lyon 1 , CNRS, Institut Lumière Matière UMR 5306, F-69100, Villeurbanne, France.
authors.forename: Clothilde
authors.initials: C
authors.lastname: Comby-Zerbino
authors.affiliation: Univ Lyon, Université Claude Bernard Lyon 1 , CNRS, Institut Lumière Matière UMR 5306, F-69100, Villeurbanne, France.
authors.forename: Chang Min
authors.identifier: 0000-0001-7708-9056
authors.initials: CM
authors.lastname: Choi
authors.affiliation: Univ Lyon, Université Claude Bernard Lyon 1 , CNRS, Institut Lumière Matière UMR 5306, F-69100, Villeurbanne, France.
authors.forename: Luke
authors.initials: L
authors.lastname: MacAleese
authors.affiliation: PPSM, ENS Paris-Saclay, CNRS, Université Paris-Saclay , F-94235 Cachan, France.
authors.forename: Claire
authors.initials: C
authors.lastname: Deo
authors.affiliation: PPSM, ENS Paris-Saclay, CNRS, Université Paris-Saclay , F-94235 Cachan, France.
authors.forename: Nicolas
authors.initials: N
authors.lastname: Bogliotti
authors.affiliation: PPSM, ENS Paris-Saclay, CNRS, Université Paris-Saclay , F-94235 Cachan, France.
authors.forename: Juan
authors.initials: J
authors.lastname: Xie
authors.affiliation: LAMBE, Université Evry Val d'Essonne, CEA, CNRS, Université Paris-Saclay , F-91025, Evry, France.
authors.forename: Jean-Yves
authors.initials: JY
authors.lastname: Salpin
authors.affiliation: Univ Lyon, Université Claude Bernard Lyon 1 , CNRS, Institut Lumière Matière UMR 5306, F-69100, Villeurbanne, France.
authors.forename: Philippe
authors.initials: P
authors.lastname: Dugourd
authors.affiliation: Univ Lyon, Université Claude Bernard Lyon 1, Ens de Lyon , CNRS, Institut des Sciences Analytiques UMR 5280, 5 rue de la Doua, F-69100, Villeurbanne, France.
authors.forename: Fabien
authors.identifier: 0000-0001-9115-9233
authors.initials: F
authors.lastname: Chirot