AI Article Synopsis
- - NMR analysis of fluorine-containing molecules is becoming more important in pharmaceuticals and biochemistry, but it often faces challenges like severe peak overlap in proton spectra, which makes it hard to extract vital structural information.
- - The new method called IPAP-FESTA simplifies the measurement of proton-fluorine coupling constants, providing a clearer understanding of molecular structures.
- - The effectiveness of IPAP-FESTA is highlighted through its application in studying the steroidal drug fluticasone propionate and examining solvent effects on a complex fluorohydrin mixture.
Article 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.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10510310 | PMC |
| http://dx.doi.org/10.1021/jacs.3c05515 | DOI Listing |
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