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Demystifying fluorine chemical shifts: Electronic structure calculations address origins of seemingly anomalous (19)F-NMR spectra of fluorohistidine isomers and analogues

Fluorine NMR spectroscopy is a powerful tool for studying biomolecular structure, dynamics, and ligand binding, yet the origins of (19)F chemical shifts are not well understood. Herein, we use electronic structure calculations to describe the changes in (19)F chemical shifts of 2F- and 4F-histidine/...

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Publié dans:Phys Chem Chem Phys
Auteurs principaux: Kasireddy, Chandana, Bann, James G., Mitchell-Koch, Katie R.
Format: Artigo
Langue:Inglês
Publié: 2015
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4643390/
https://ncbi.nlm.nih.gov/pubmed/26524669
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c5cp05502d
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