Theoretical and Computational Framework for the Analysis of the Relaxation Properties of Arbitrary Spin Systems. Application to High-Resolution Relaxometry - Archive ouverte HAL Access content directly
Journal Articles Journal of Magnetic Resonance Year : 2020

Theoretical and Computational Framework for the Analysis of the Relaxation Properties of Arbitrary Spin Systems. Application to High-Resolution Relaxometry

(1) , (1) , (2) , (3) , (2) , (1)
1
2
3

Abstract

A wide variety of nuclear magnetic resonance experiments rely on the prediction and analysis of relaxation processes. Recently, innovative approaches have been introduced where the sample travels through a broad range of magnetic fields in the course of the experiment, such as dissolution dynamic nuclear polarization or high-resolution relaxometry. Understanding the relaxation properties of nuclear spin systems over orders of magnitude of magnetic fields is essential to rationalize the results of these experiments. For example, during a high-resolution relaxometry experiment, the absence of control of nuclear spin relaxation pathways during the sample transfers and relaxation delays leads to systematic deviations of polarization decays from an ideal mono-exponential decay with the pure longitudinal relaxation rate. These deviations have to be taken into account to describe quantitatively the dynamics of the system. Here, we present computational tools to (1) ⇤ Corresponding authors Email addresses: Jean-Nicolas.Dumez@univ-nantes.fr (Jean-Nicolas Dumez), Fabien.Ferrage@ens.fr (Fabien Ferrage), Samuel.Cousin@ens-lyon.fr (Samuel F. Cousin) calculate analytical expressions of relaxation rates for a broad variety of spin systems and (2) use these analytical expressions to correct the deviations arising in high-resolution relaxometry experiments. These tools lead to a better understanding of nuclear spin relaxation, which is required to improve the sensitivity of many pulse sequences, and to better characterize motions in macromolecules.
Fichier principal
Vignette du fichier
Bolik-Coulon et al. - 2020 - Theoretical and computational framework for the an.pdf (3.36 Mo) Télécharger le fichier
Origin : Files produced by the author(s)
Loading...

Dates and versions

hal-02986164 , version 1 (02-11-2020)

Identifiers

Cite

Nicolas Bolik-­coulon, Pavel Kadeřávek, Philippe Pelupessy, Jean-Nicolas Dumez, Fabien Ferrage, et al.. Theoretical and Computational Framework for the Analysis of the Relaxation Properties of Arbitrary Spin Systems. Application to High-Resolution Relaxometry. Journal of Magnetic Resonance, 2020, 313, pp.106718. ⟨10.1016/j.jmr.2020.106718⟩. ⟨hal-02986164⟩
50 View
58 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More