Correcting the fundamental ion mobility equation for field effects

The Analyst ◽  
2016 ◽  
Vol 141 (23) ◽  
pp. 6396-6407 ◽  
Author(s):  
William F. Siems ◽  
Larry A. Viehland ◽  
Herbert H. Hill
Keyword(s):  
Momentum Transfer ◽  
Ion Mobility Spectrometry ◽  
Cross Sections ◽  
Ion Mobility ◽  
Collision Frequency ◽  
Field Effects

Cross sections measured by ion mobility spectrometry are corrected for collision frequency and cooling/heating-controlled momentum transfer.

A local collision probability approximation for predicting momentum transfer cross sections

The Analyst ◽  
2015 ◽  
Vol 140 (20) ◽  
pp. 6804-6813 ◽  
Author(s):  
Christian Bleiholder
Keyword(s):  
Momentum Transfer ◽  
Cross Sections ◽  
Ion Mobility ◽  
Collision Probability

The local collision probability approximation (LCPA) method is introduced to compute molecular momentum transfer cross sections for comparison to ion mobility experiments.

Evaluation of calculated negative mode ion mobilities of small molecules in air

2017 ◽  
Vol 23 (6) ◽  
pp. 369-375
Author(s):  
Frank Gunzer
Keyword(s):  
Small Molecules ◽  
Ion Mobility Spectrometry ◽  
Cross Sections ◽  
Ion Mobility ◽  
Theoretic Model ◽  
Negative Mode ◽  
Positive Mode ◽  
Trajectory Method ◽  
Experimental Values ◽  
Method Show

Ion mobility spectrometry is a well-known technique employed for the detection and analysis of gaseous substances. In pharmaceutical applications, it is furthermore used for structural analysis of compounds, especially in combination with mass spectrometry. In this field, the comparison of calculated collision cross sections and ion mobilities of theoretic model compounds with experimental values measured with ion mobility spectrometers helps to determine the compound’s structure. For positive mode ion mobility spectrometry, the calculated mobilities using the Trajectory Method show in general a deviation of 10% or less from experimental values. In this article, it was analyzed how well the calculated values reproduce the experimental values obtained with negative mode ion mobility spectrometry including symmetric and asymmetric analyte clusters. Furthermore, the influence of four different partial charge models on the results was investigated.

scholarly journals Effect of Phosphorylation on the Collision Cross Sections of Peptide Ions in Ion Mobility Spectrometry

2020 ◽  
Author(s):  
Kosuke Ogata ◽  
Chih-Hsiang Chang ◽  
Yasushi Ishihama
Keyword(s):  
Ion Mobility Spectrometry ◽  
Cross Sections ◽  
Ion Mobility ◽  
Structural Information ◽  
Peptide Identification ◽  
Intramolecular Interactions ◽  
Peptide Ions ◽  
Large Numbers ◽  
Collision Cross Sections ◽  
Mass Increase

AbstractThe insertion of ion mobility spectrometry (IMS) between LC and MS can improve peptide identification in both proteomics and phosphoproteomics by providing structural information that is complementary to LC and MS, because IMS separates ions on the basis of differences in their shapes and charge states. However, it is necessary to know how phosphate groups affect the peptide collision cross sections (CCS) in order to accurately predict phosphopeptide CCS values and to maximize the usefulness of IMS. In this work, we systematically characterized the CCS values of 4,433 pairs of mono-phosphopeptide and corresponding unphosphorylated peptide ions using trapped ion mobility spectrometry (TIMS). Nearly one-third of the mono-phosphopeptide ions evaluated here showed smaller CCS values than their unphosphorylated counterparts, even though phosphorylation results in a mass increase of 80 Da. Significant changes of CCS upon phosphorylation occurred mainly in structurally extended peptides with large numbers of basic groups, possibly reflecting intramolecular interactions between phosphate and basic groups.

Determining Collision Cross Sections from Differential Ion Mobility Spectrometry

2021 ◽  
Author(s):  
Christian Ieritano ◽  
Arthur Lee ◽  
Jeff Crouse ◽  
Zack Bowman ◽  
Nour Mashmoushi ◽  
...  
Keyword(s):  
Ion Mobility Spectrometry ◽  
Cross Sections ◽  
Ion Mobility ◽  
Differential Ion Mobility Spectrometry ◽  
Collision Cross Sections
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