Conformation of glycosaminoglycans by ion mobility mass spectrometry and molecular modelling

2005 ◽  
Vol 7 (19) ◽  
pp. 3464 ◽  
Author(s):  
Lan Jin ◽  
Perdita E. Barran ◽  
Jon A. Deakin ◽  
Malcolm Lyon ◽  
Dušan Uhrín
Keyword(s):  
Mass Spectrometry ◽  
Ion Mobility ◽  
Molecular Modelling ◽  
Ion Mobility Mass Spectrometry

Size Dependence of the Folding of Multiply Charged Sodium Cationized Polylactides Revealed by Ion Mobility Mass Spectrometry and Molecular Modelling

2011 ◽  
Vol 17 (35) ◽  
pp. 9738-9745 ◽  
Author(s):  
Julien De Winter ◽  
Vincent Lemaur ◽  
Renaud Ballivian ◽  
Fabien Chirot ◽  
Olivier Coulembier ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ion Mobility ◽  
Molecular Modelling ◽  
Size Dependence ◽  
Ion Mobility Mass Spectrometry ◽  
Multiply Charged

scholarly journals Integrating Ion Mobility Mass Spectrometry with Molecular Modelling to Determine the Architecture of Multiprotein Complexes

PLoS ONE ◽  
2010 ◽  
Vol 5 (8) ◽  
pp. e12080 ◽  
Author(s):  
Argyris Politis ◽  
Ah Young Park ◽  
Suk-Joon Hyung ◽  
Daniel Barsky ◽  
Brandon T. Ruotolo ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ion Mobility ◽  
Molecular Modelling ◽  
Ion Mobility Mass Spectrometry ◽  
Multiprotein Complexes

How useful is molecular modelling in combination with ion mobility mass spectrometry for ‘small molecule’ ion mobility collision cross-sections?

The Analyst ◽  
2015 ◽  
Vol 140 (20) ◽  
pp. 6814-6823 ◽  
Author(s):  
Cris Lapthorn ◽  
Frank S. Pullen ◽  
Babur Z. Chowdhry ◽  
Patricia Wright ◽  
George L. Perkins ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Cross Section ◽  
Small Molecule ◽  
Cross Sections ◽  
Ion Mobility ◽  
Molecular Modelling ◽  
Collision Cross Section ◽  
Ion Mobility Mass Spectrometry ◽  
Collision Cross Sections

Evaluation of N2(g) and He(g) MOBCAL collision cross section values from 20 compounds ∼ m/z 122 to 609.

scholarly journals Early stages of insulin fibrillogenesis examined with ion mobility mass spectrometry and molecular modelling

The Analyst ◽  
2015 ◽  
Vol 140 (20) ◽  
pp. 7000-7011 ◽  
Author(s):  
Harriet Cole ◽  
Massimiliano Porrini ◽  
Ryan Morris ◽  
Tom Smith ◽  
Jason Kalapothakis ◽  
...  
Keyword(s):  
Experimental Data ◽  
Mass Spectrometry ◽  
Ion Mobility ◽  
Molecular Modelling ◽  
Md Simulations ◽  
Distinct Species ◽  
Ion Mobility Mass Spectrometry ◽  
Mobility Analysis ◽  
Oligomer Distribution ◽  
Β Sheets

Mass spectrometry shows insulin oligomers [I]nwhere n ranges from 1-12, and ion mobility analysis reveals ∼60 structurally distinct species across this oligomer distribution. Experimental data trains MD simulations to characterize a persistent prefibrillar protein oligomer that is a dimer enriched in β sheets.

Rapid Diagnosis of Parkinson’s Disease from Sebum using Paper Spray Ionisation Ion Mobility Mass Spectrometry

2020 ◽  
Author(s):  
Depanjan Sarkar ◽  
Drupad Trivedi ◽  
Eleanor Sinclair ◽  
Sze Hway Lim ◽  
Caitlin Walton-Doyle ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Parkinson’S Disease ◽  
Parkinson's Disease ◽  
Ion Mobility ◽  
Neurodegenerative Disorder ◽  
Treatment Options ◽  
Ion Mobility Mass Spectrometry ◽  
Paper Spray ◽  
Molecular Features ◽  
Validation Set

Parkinson’s disease (PD) is the second most common neurodegenerative disorder for which identification of robust biomarkers to complement clinical PD diagnosis would accelerate treatment options and help to stratify disease progression. Here we demonstrate the use of paper spray ionisation coupled with ion mobility mass spectrometry (PSI IM-MS) to determine diagnostic molecular features of PD in sebum. PSI IM-MS was performed directly from skin swabs, collected from 34 people with PD and 30 matched control subjects as a training set and a further 91 samples from 5 different collection sites as a validation set. PSI IM-MS elucidates ~ 4200 features from each individual and we report two classes of lipids (namely phosphatidylcholine and cardiolipin) that differ significantly in the sebum of people with PD. Putative metabolite annotations are obtained using tandem mass spectrometry experiments combined with accurate mass measurements. Sample preparation and PSI IM-MS analysis and diagnosis can be performed ~5 minutes per sample offering a new route to for rapid and inexpensive confirmatory diagnosis of this disease.

P‐97: Separation of Isomeric OLED Materials Using Ion Mobility‐Mass Spectrometry (IM‐MS)

2021 ◽  
Vol 52 (1) ◽  
pp. 1444-1447
Author(s):  
Hirotaka Shioji ◽  
Azusa Uematsu ◽  
Motoshi Onoda ◽  
Keiko Matsuda ◽  
Keisuke Sawada ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ion Mobility ◽  
Ion Mobility Mass Spectrometry
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