Preprints
https://doi.org/10.5194/mr-2022-8
https://doi.org/10.5194/mr-2022-8
 
16 May 2022
16 May 2022
Status: a revised version of this preprint was accepted for the journal MR and is expected to appear here in due course.

The effect of spin polarization in DEER spectroscopy

Sarah R. Sweger1, Vasyl P. Denysenkov2, Lutz Maibaum1, Thomas F. Prisner2, and Stefan Stoll1 Sarah R. Sweger et al.
  • 1Department of Chemistry, University of Washington, Seattle, WA 98195, USA
  • 2Institute of Physical and Theoretical Chemistry and Center of Biomolecular Magnetic Resonance, Goethe University Frankfurt am Main, Frankfurt, Germany

Abstract. Double electron-electron resonance (DEER) spectroscopy measures the distribution of distances between two electron spins in the nanometer range, often on doubly spin-labeled proteins, via the modulation of a refocused spin echo by the dipolar interaction between the spins. DEER is commonly conducted under conditions where the polarization of the spins is small. Here, we examine the DEER signal under conditions of high spin polarization, thermally obtainable at low temperatures and high magnetic fields, and show that the signal acquires a polarization-dependent out-of-phase component, both for the intra- and the inter-molecular contribution. For the latter, this corresponds to a phase shift of the spin echo that is linear in the pump pulse position. We derive a compact analytical form of this phase shift and show experimental measurements using monoradical and biradical nitroxides at several fields and temperatures. The effect highlights a novel aspect of the fundamental spin physics underlying DEER spectroscopy.

Sarah R. Sweger et al.

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on mr-2022-8', Anonymous Referee #1, 25 May 2022
    • AC1: 'Reply on RC1', Sarah Sweger, 17 Jun 2022
  • RC2: 'Comment on mr-2022-8', Nino Wili, 25 May 2022
    • AC2: 'Reply on RC2', Sarah Sweger, 17 Jun 2022
  • CC1: 'Comment on mr-2022-8', Andriy Marko, 02 Jun 2022
    • AC3: 'Reply on CC1', Sarah Sweger, 17 Jun 2022
  • CC2: 'Comment on mr-2022-8', Alexander G. Maryasov, 06 Jun 2022
    • AC4: 'Reply on CC2', Sarah Sweger, 17 Jun 2022

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on mr-2022-8', Anonymous Referee #1, 25 May 2022
    • AC1: 'Reply on RC1', Sarah Sweger, 17 Jun 2022
  • RC2: 'Comment on mr-2022-8', Nino Wili, 25 May 2022
    • AC2: 'Reply on RC2', Sarah Sweger, 17 Jun 2022
  • CC1: 'Comment on mr-2022-8', Andriy Marko, 02 Jun 2022
    • AC3: 'Reply on CC1', Sarah Sweger, 17 Jun 2022
  • CC2: 'Comment on mr-2022-8', Alexander G. Maryasov, 06 Jun 2022
    • AC4: 'Reply on CC2', Sarah Sweger, 17 Jun 2022

Sarah R. Sweger et al.

Sarah R. Sweger et al.

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Short summary
This works examines the physics underlying double electron-electron resonance (DEER) spectroscopy, a magnetic-resonance method that provides nanoscale data about protein structure and conformations.