Molecular origins of ion mobility differences between the peptide standards GRGDS and SDGRG
Authors:
- Niklas GeueNGNiklas Geue
- Gurpur Rakesh D. PrabhuGPGurpur Rakesh D. Prabhu
- Mikhail IvanovMIMikhail Ivanov
- Jüri JarvetJJJüri Jarvet
- Gerard MeijerGMGerard Meijer
- Astrid GräslundAGAstrid Gräslund
- Gert von HeldenGHGert von Helden
- Leopold L. IlagLILeopold L. Ilag
- Wojciech PlazinskiWPWojciech Plazinski
- Kevin PagelKPKevin Pagel
- Nicklas ÖsterlundNÖNicklas Österlund
Open Access
- 29 September 2026
- journal article
- Published by Royal Society of Chemistry (RSC) in The Analyst
- Vol. 151 (19) , 5723-5732
Abstract
NMR, ion mobility mass spectrometry, gas-phase IR spectroscopy, molecular dynamics and DFT reveal why the reverse peptides GRGDS and SDGRG adopt distinct solution and gas-phase structures.Keywords
All Related Versions
Funding Information
- Alexander von Humboldt-Stiftung
- Wenner-Gren Stiftelserna
- Olle Engkvists Stiftelse
- Deutsche Forschungsgemeinschaft (559720072)
- Deutsche Forschungsgemeinschaft (567558930)
- Deutsche Forschungsgemeinschaft (the Core Facility BioSupraMol at Freie Universitä)
This publication has 62 references indexed in Scilit:
- Influence of Levulinoyl Protecting Groups on Glycosylation Stereoselectivity and Glycosyl Cation StructureEuropean Journal of Organic Chemistry, 2025
- Cryogenic infrared spectroscopy provides mechanistic insight into the fragmentation of phospholipid silver adductsAnalytical and Bioanalytical Chemistry, 2022
- Enabling resolution of isomeric peptides using tri-state ion gating and Fourier-transform ion mobility spectrometryInternational Journal for Ion Mobility Spectrometry, 2020
- Remote Participation during Glycosylation Reactions of Galactose Building Blocks: Direct Evidence from Cryogenic Vibrational SpectroscopyAngewandte Chemie International Edition, 2020
- Benchmark Comparison for a Multi-Processing Ion Mobility Calculator in the Free Molecular RegimeJournal of the American Society for Mass Spectrometry, 2017
- Toward a Rational Design of Highly Folded Peptide Cation Conformations. 3D Gas-Phase Ion Structures and Ion Mobility CharacterizationJournal of the American Society for Mass Spectrometry, 2016
- Infrared Spectroscopy of Mobility-Selected H+-Gly-Pro-Gly-Gly (GPGG)Journal of the American Society for Mass Spectrometry, 2015
- Enhancements in travelling wave ion mobility resolutionRapid Communications in Mass Spectrometry, 2011
- The gas-phase basicities and proton affinities of amino acids and peptidesMass Spectrometry Reviews, 1997
- An approach to computing electrostatic charges for moleculesJournal of Computational Chemistry, 1984