Article (Scientific journals)
Accurate drift time determination by traveling wave ion mobility spectrometry: The concept of the diffusion calibration
Kune, Christopher; Far, Johann; De Pauw, Edwin
2016In Analytical Chemistry, 88, p. 11639-11646
Peer Reviewed verified by ORBi
 

Files


Full Text
Manuscript peak witdh.pdf
Author postprint (553.18 kB)
Request a copy

All documents in ORBi are protected by a user license.

Send to



Details



Keywords :
Ion mobility; Peak width; Diffusion; Mass Spectrometry
Abstract :
[en] Ion mobility spectrometry (IMS) is a gas phase separation technique which relies on differences in collision cross section (CCS) of ions. Ionic clouds of unresolved conformers overlap if the CCS difference is below the instrumental resolution expressed as CCS/ΔCCS. The experimental arrival time distribution (ATD) peak is then a superimposition of the various contributions weighted by their relative intensities. This paper introduces a strategy for accurate drift time determination using traveling wave ion mobility spectrometry (TWIMS) of poorly resolved or unresolved conformers. This method implements through a calibration procedure the link between the peak full width at half maximum (FWHM) and the drift time of model compounds for wide range of settings for wave heights and velocities. We modified a Gaussian equation which achieves the deconvolution of ATD peaks where the FWHM is fixed according to our calibration procedure. The new fitting Gaussian equation only depends on two parameters: The apex of the peak (A) and the mean drift time value (μ). The standard deviation parameter (correlated to FWHM) becomes a function of the drift time. This correlation function between μ and FWHM is obtained using the TWIMS calibration procedure which determines the maximum instrumental ion beam diffusion under limited and controlled space charge effect using ionic compounds which are detected as single conformers in the gas phase. This deconvolution process has been used to highlight the presence of poorly resolved conformers of crown ether complexes and peptides leading to more accurate CCS determinations in better agreement with quantum chemistry predictions
Research center :
Mass Spectrometry Laboratory
Disciplines :
Chemistry
Biochemistry, biophysics & molecular biology
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 > Département de chimie (sciences) > Center for Analytical Research and Technology (CART)
De Pauw, Edwin  ;  Université de Liège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
Language :
English
Title :
Accurate drift time determination by traveling wave ion mobility spectrometry: The concept of the diffusion calibration
Publication date :
02 November 2016
Journal title :
Analytical Chemistry
ISSN :
0003-2700
eISSN :
1520-6882
Publisher :
American Chemical Society, Washington, United States - District of Columbia
Special issue title :
just accepted
Volume :
88
Pages :
11639-11646
Peer reviewed :
Peer Reviewed verified by ORBi
Funders :
F.R.S.-FNRS - Fonds de la Recherche Scientifique [BE]
Available on ORBi :
since 01 February 2017

Statistics


Number of views
80 (10 by ULiège)
Number of downloads
1 (1 by ULiège)

Scopus citations®
 
30
Scopus citations®
without self-citations
22
OpenCitations
 
28

Bibliography


Similar publications



Contact ORBi