Open AccessRemoval of 2H-decoupling sidebands in 13CHD2 13C-CEST profiles
Author(s) -
Youlin Xia,
Tairan Yuwen,
Aizhuo Liu,
Charalampos G. Kalodimos
Publication year - 2021
Publication title -
journal of biomolecular nmr
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.346
H-Index - 106
eISSN - 1573-5001
pISSN - 0925-2738
DOI - 10.1007/s10858-021-00362-0
Subject(s) - decoupling (probability) , chemistry , excited state , biomolecule , amplitude , computational physics , nuclear magnetic resonance , molecular physics , optics , physics , atomic physics , biochemistry , control engineering , engineering
A unique aspect of NMR is its capacity to provide integrated insight into both the structure and intrinsic dynamics of biomolecules. Chemical exchange phenomena that often serve as probes of dynamic processes in biological macromolecules can be quantitatively investigated with chemical exchange saturation transfer (CEST) experiments. 2 H-decoupling sidebands, however, always occur in the profiles of 13 CHD 2 13 C-CEST experiments when using the simple CW (continuous wave) method, which may obscure the detection of minor dips of excited states. Traditionally, these sidebands are manually eliminated from the profiles before data analysis by removing experimental points in the range of 2 H-decoupling field strength ±50 Hz away from the major dips of the ground state on either side of the dips. Unfortunately, this may also eliminate potential minor dips if they overlap with the decoupling sidebands. Here, we developed methods that use pseudo-continuous waves with variable RF amplitudes distributed onto ramps for 2 H decoupling. The new methods were thoroughly validated on Bruker spectrometers at a range of fields ( 1 H frequencies of 600, 700, and 850 MHz, and 1.1 GHz). By using these methods, we successfully removed the sidebands from the NMR profiles of 13 CHD 2 13 C-CEST experiments.