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CONTRIBUTION OF ION MOBILITY FOR STRUCTURAL ANALYSIS AND ANALYTICAL CHEMISTRY: THE USE OF PROBE LIGANDS AND SELECTIVE IMS SHIFT REAGENTS
Kune, Christopher; Far, Johann; Delvaux, Cédric et al.
201524th International Conference on Ion Mobility Spectrometry
 

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Keywords :
selective shift reagent; ion mobility mass spectrometry; crown ether; cyclodextrine; diaminonaphtalene; valine; proline; selenomethionione
Abstract :
[en] Ion mobility is a gas phase separation technique sensitive to the Collisional Cross Section (CCS) difference of ions (as CCS/ΔCCS). It discriminates isobaric and isomeric ions when CCS difference is larger than the instrumental resolution (roughly 50). To overcome the usual resolution of ion mobility (IM), it is necessary to use new strategies in addition to the optimization of the ion mobility parameters. This work proposes a new method to bypass this limitation while providing additional structural information by the use of Selective Shift Reagents (SSR). A SSR can specifically bind with a target ion depending of their physicochemical properties like chemical groups, steric hindrance, polarity, space charge effects… In this strategy, the choice of SSR is fundamental. SSR could be empirically selected or assisted and designed by computational chemistry prediction. SSR can be used as a chemical probe which can support physicochemical properties and help or confirm hypotheses for structural elucidation. They can also drastically change the CCS of a target ion present in a complex mixture (e.g. biological origin sample) as shifting reagent for e.g. quantification purpose. Models used for the proof of concept have been selected in order to lead to an expected or predictive result. Firstly crown ethers have been used as SSR in IMS to shift the protonated valine drift time from the protonated proline drift time according to their chemical groups and especially amino groups. The selectivity of SSR leads to an improved separation between valine and proline. Secondly three structural isomers of diaminonaphthalene were investigated experimentally and theoretically using computational chemistry support after the addition of different crown ethers or β-cyclodextrin as SSR to improve the separation of these isomers by IMS. Finally, the concept of SSR was successfully applied to biological origin samples to elucidate structure and allows the quantification of selenium (Se) containing compounds present in an aqueous extract of Se rich yeast.
Research center :
laboratoire de spectrométrie de masse
Disciplines :
Chemistry
Author, co-author :
Kune, Christopher  ;  Université de Liège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
Far, Johann  ;  Université de Liège > Chimie > Laboratoire de spectrométrie de masse (L.S.M.)
Delvaux, Cédric  ;  Université de Liège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
De Pauw, Edwin  ;  Université de Liège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
Language :
English
Title :
CONTRIBUTION OF ION MOBILITY FOR STRUCTURAL ANALYSIS AND ANALYTICAL CHEMISTRY: THE USE OF PROBE LIGANDS AND SELECTIVE IMS SHIFT REAGENTS
Publication date :
28 July 2015
Event name :
24th International Conference on Ion Mobility Spectrometry
Event organizer :
International Society of Ion Mobility Spectrometry
Event place :
Cordoba, Spain
Event date :
du 26 juillet 2015 au 30 juillet 2015
Audience :
International
Name of the research project :
thèse de doctorat Christopher Kune
Funders :
laboratoire de spectrométrie de masse
Available on ORBi :
since 18 August 2015

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