Zero-Field NMR of Urea: Spin-Topology Engineering by Chemical Exchange.
J Phys Chem Lett
; 12(43): 10671-10676, 2021 Nov 04.
Article
em En
| MEDLINE
| ID: mdl-34705470
ABSTRACT
Well-resolved and information-rich J-spectra are the foundation for chemical detection in zero-field NMR. However, even for relatively small molecules, spectra exhibit complexity, hindering the analysis. To address this problem, we investigate an example biomolecule with a complex J-coupling networkâurea, a key metabolite in protein catabolismâand demonstrate ways of simplifying its zero-field spectra by modifying spin topology. This goal is achieved by controlling pH-dependent chemical exchange rates of 1H nuclei and varying the composition of the D2O/H2O mixture used as a solvent. Specifically, we demonstrate that by increasing the proton exchange rate in the [13C,15N2]-urea solution, the spin system simplifies, manifesting through a single narrow spectral peak. Additionally, we show that the spectra of 1H/D isotopologues of [15N2]-urea can be understood easily by analyzing isolated spin subsystems. This study paves the way for zero-field NMR detection of complex biomolecules, particularly in biofluids with a high concentration of water.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Ureia
Idioma:
En
Revista:
J Phys Chem Lett
Ano de publicação:
2021
Tipo de documento:
Article
País de afiliação:
Polônia