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


ABSTRACT: 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.

SUBMITTER: Fabregas-Ibanez L 

PROVIDER: S-EPMC9516884 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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

Fábregas-Ibáñez Luis L   Mertens Valerie V   Ritsch Irina I   von Hagens Tona T   Stoll Stefan S   Jeschke Gunnar G  

Physical chemistry chemical physics : PCCP 20220928 37


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-p  ...[more]

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