---
_id: '8453'
abstract:
- lang: eng
  text: Transverse relaxation rate measurements in magic-angle spinning solid-state
    nuclear magnetic resonance provide information about molecular motions occurring
    on nanosecond-to-millisecond (ns–ms) time scales. The measurement of heteronuclear
    (13C, 15N) relaxation rate constants in the presence of a spin-lock radiofrequency
    field (R1ρ relaxation) provides access to such motions, and an increasing number
    of studies involving R1ρ relaxation in proteins have been reported. However, two
    factors that influence the observed relaxation rate constants have so far been
    neglected, namely, (1) the role of CSA/dipolar cross-correlated relaxation (CCR)
    and (2) the impact of fast proton spin flips (i.e., proton spin diffusion and
    relaxation). We show that CSA/D CCR in R1ρ experiments is measurable and that
    the CCR rate constant depends on ns–ms motions; it can thus provide insight into
    dynamics. We find that proton spin diffusion attenuates this CCR due to its decoupling
    effect on the doublet components. For measurements of dynamics, the use of R1ρ
    rate constants has practical advantages over the use of CCR rates, and this article
    reveals factors that have so far been disregarded and which are important for
    accurate measurements and interpretation.
article_processing_charge: No
article_type: original
author:
- first_name: Vilius
  full_name: Kurauskas, Vilius
  last_name: Kurauskas
- first_name: Emmanuelle
  full_name: Weber, Emmanuelle
  last_name: Weber
- first_name: Audrey
  full_name: Hessel, Audrey
  last_name: Hessel
- first_name: Isabel
  full_name: Ayala, Isabel
  last_name: Ayala
- first_name: Dominique
  full_name: Marion, Dominique
  last_name: Marion
- first_name: Paul
  full_name: Schanda, Paul
  id: 7B541462-FAF6-11E9-A490-E8DFE5697425
  last_name: Schanda
  orcid: 0000-0002-9350-7606
citation:
  ama: 'Kurauskas V, Weber E, Hessel A, Ayala I, Marion D, Schanda P. Cross-correlated
    relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning
    R1ρ NMR measurements: Application to protein backbone dynamics measurements. <i>The
    Journal of Physical Chemistry B</i>. 2016;120(34):8905-8913. doi:<a href="https://doi.org/10.1021/acs.jpcb.6b06129">10.1021/acs.jpcb.6b06129</a>'
  apa: 'Kurauskas, V., Weber, E., Hessel, A., Ayala, I., Marion, D., &#38; Schanda,
    P. (2016). Cross-correlated relaxation of dipolar coupling and chemical-shift
    anisotropy in magic-angle spinning R1ρ NMR measurements: Application to protein
    backbone dynamics measurements. <i>The Journal of Physical Chemistry B</i>. American
    Chemical Society. <a href="https://doi.org/10.1021/acs.jpcb.6b06129">https://doi.org/10.1021/acs.jpcb.6b06129</a>'
  chicago: 'Kurauskas, Vilius, Emmanuelle Weber, Audrey Hessel, Isabel Ayala, Dominique
    Marion, and Paul Schanda. “Cross-Correlated Relaxation of Dipolar Coupling and
    Chemical-Shift Anisotropy in Magic-Angle Spinning R1ρ NMR Measurements: Application
    to Protein Backbone Dynamics Measurements.” <i>The Journal of Physical Chemistry
    B</i>. American Chemical Society, 2016. <a href="https://doi.org/10.1021/acs.jpcb.6b06129">https://doi.org/10.1021/acs.jpcb.6b06129</a>.'
  ieee: 'V. Kurauskas, E. Weber, A. Hessel, I. Ayala, D. Marion, and P. Schanda, “Cross-correlated
    relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning
    R1ρ NMR measurements: Application to protein backbone dynamics measurements,”
    <i>The Journal of Physical Chemistry B</i>, vol. 120, no. 34. American Chemical
    Society, pp. 8905–8913, 2016.'
  ista: 'Kurauskas V, Weber E, Hessel A, Ayala I, Marion D, Schanda P. 2016. Cross-correlated
    relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning
    R1ρ NMR measurements: Application to protein backbone dynamics measurements. The
    Journal of Physical Chemistry B. 120(34), 8905–8913.'
  mla: 'Kurauskas, Vilius, et al. “Cross-Correlated Relaxation of Dipolar Coupling
    and Chemical-Shift Anisotropy in Magic-Angle Spinning R1ρ NMR Measurements: Application
    to Protein Backbone Dynamics Measurements.” <i>The Journal of Physical Chemistry
    B</i>, vol. 120, no. 34, American Chemical Society, 2016, pp. 8905–13, doi:<a
    href="https://doi.org/10.1021/acs.jpcb.6b06129">10.1021/acs.jpcb.6b06129</a>.'
  short: V. Kurauskas, E. Weber, A. Hessel, I. Ayala, D. Marion, P. Schanda, The Journal
    of Physical Chemistry B 120 (2016) 8905–8913.
date_created: 2020-09-18T10:07:07Z
date_published: 2016-08-08T00:00:00Z
date_updated: 2021-01-12T08:19:22Z
day: '08'
doi: 10.1021/acs.jpcb.6b06129
extern: '1'
intvolume: '       120'
issue: '34'
keyword:
- Physical and Theoretical Chemistry
- Materials Chemistry
- Surfaces
- Coatings and Films
language:
- iso: eng
month: '08'
oa_version: None
page: 8905-8913
publication: The Journal of Physical Chemistry B
publication_identifier:
  issn:
  - 1520-6106
  - 1520-5207
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: 'Cross-correlated relaxation of dipolar coupling and chemical-shift anisotropy
  in magic-angle spinning R1ρ NMR measurements: Application to protein backbone dynamics
  measurements'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 120
year: '2016'
...