TRACT revisited: an algebraic solution for determining overall rotational correlation times from cross-correlated relaxation rates.

ABSTRACT: Accurate rotational correlation times ([Formula: see text]) are critical for quantitative analysis of fast timescale NMR dynamics. As molecular weights increase, the classic derivation of [Formula: see text] using transverse and longitudinal relaxation rates becomes increasingly unsuitable due to the non-trivial contribution of remote dipole-dipole interactions to longitudinal relaxation. Derivations using cross-correlated relaxation experiments, such as TRACT, overcome these limitations but are erroneously calculated in 65% of the citing literature. Herein, we developed an algebraic solutions to the Goldman relationship that facilitate rapid, point-by-point calculations for straightforward identification of appropriate spectral regions where global tumbling is likely to be dominant. The r

SUBMITTER: Robson SA 

PROVIDER: S-EPMC8627365 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature