| Full text | |
| Author(s): |
Mycroft, Coral
;
Dal Poggetto, Guilherme
;
Barbosa, Thaiïs M.
;
Tormena, Claïudio F.
;
Nilsson, Mathias
;
Morris, Gareth A.
;
Castanar, Laura
Total Authors: 7
|
| Document type: | Journal article |
| Source: | Journal of the American Chemical Society; v. 145, n. 36, p. 8-pg., 2023-08-31. |
| Abstract | |
The NMR analysis of fluorine-containing molecules, increasingly widespread due to their importance in pharmaceuticals and biochemistry, poses significant challenges. Severe peak overlap in the proton spectrum often hinders the extraction of critical structural information in the form of heteronuclear scalar coupling constants, which are crucial for determining pharmaceutical properties and biological activity. Here, a new method, IPAP-FESTA, is reported that drastically simplifies measurements of the signs and magnitudes of proton-fluorine couplings. Its usefulness is demonstrated for the structural study of the steroidal drug fluticasone propionate extracted from a commercial formulation and for assessing solvent effects on the conformational equilibrium in a physically inseparable fluorohydrin mixture. (AU) | |
| FAPESP's process: | 14/12776-6 - Development and application of NMR techniques to analyse complex mixtures |
| Grantee: | Thaís Mendonça Barbosa |
| Support Opportunities: | Scholarships in Brazil - Doctorate |
| FAPESP's process: | 11/14301-7 - Stereoelectronic interactions and their effects in the conformational preferences of 3-halo-2-hydroxy-tetrahydropyran (halo = F, Cl, Br and I) |
| Grantee: | Thaís Mendonça Barbosa |
| Support Opportunities: | Scholarships in Brazil - Master |
| FAPESP's process: | 18/19253-0 - NEW PULSE SEQUENCES AND PROCESSING TOOLS FOR MULTIDIMENSIONAL NMR EXPERIMENTS APPLIED TO NATURAL PRODUCTS MIXTURE ANALYSIS |
| Grantee: | Guilherme Fonseca Dal Poggetto |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 20/10246-0 - Nuclear magnetic resonance spectroscopy: from pulse sequences to structural assignments |
| Grantee: | Claudio Francisco Tormena |
| Support Opportunities: | Research Projects - Thematic Grants |