Dipolar pathways in multi-spin and multi-dimensional dipolar EPR spectroscopy

Dipolar electron paramagnetic resonance (EPR) experiments, such as double electron-electron resonance (DEER), measure distributions of nanometer-scale distances between unpaired electrons, which provide valuable information for structural characterization of proteins and other macromolecular systems...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2022-09, Vol.24 (37), p.22645-2266
Main Authors: Fábregas-Ibáñez, Luis, Mertens, Valerie, Ritsch, Irina, von Hagens, Tona, Stoll, Stefan, Jeschke, Gunnar
Format: Article
Language:English
Subjects:
Chemistry
Electron paramagnetic resonance
Electron Spin Resonance Spectroscopy - methods
Electrons
Macromolecular Substances
Proteins - chemistry
Spin Labels
Structural analysis
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Summary:Dipolar electron paramagnetic resonance (EPR) experiments, such as double electron-electron resonance (DEER), measure distributions of nanometer-scale distances between unpaired electrons, which provide valuable information for structural characterization of proteins and other macromolecular systems. We present an extension to our previously published general model based on dipolar pathways valid for multi-dimensional dipolar EPR experiments with more than two spin-1/2 labels. We examine the 4-pulse DEER and TRIER experiments in terms of dipolar pathways and show experimental results confirming the theoretical predictions. This extension to the dipolar pathways model allows the analysis of previously challenging datasets and the extraction of multivariate distance distributions. A dipolar pathway model describing multi-spin and multi-dimensional dipolar EPR experiments and allowing for the extraction of multivariate distance distributions.
ISSN:1463-9076
1463-9084
1463-9084
DOI:10.1039/d2cp03048a