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Anal Chem. 2017 Apr 04;89(7):4230-4237. doi: 10.1021/acs.analchem.7b00281. Epub 2017 Mar 16.

Conformational Dynamics in Ion Mobility Data.

Analytical chemistry

Salomé Poyer, Clothilde Comby-Zerbino, Chang Min Choi, Luke MacAleese, Claire Deo, Nicolas Bogliotti, Juan Xie, Jean-Yves Salpin, Philippe Dugourd, Fabien Chirot

Affiliations

  1. LAMBE, Université Evry Val d'Essonne, CEA, CNRS, Université Paris-Saclay , F-91025, Evry, France.
  2. Univ Lyon, Université Claude Bernard Lyon 1 , CNRS, Institut Lumière Matière UMR 5306, F-69100, Villeurbanne, France.
  3. PPSM, ENS Paris-Saclay, CNRS, Université Paris-Saclay , F-94235 Cachan, France.
  4. 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.

PMID: 28263061 DOI: 10.1021/acs.analchem.7b00281

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.

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