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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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Vydáno v:Phys Chem Chem Phys
Hlavní autoři: Kasireddy, Chandana, Bann, James G., Mitchell-Koch, Katie R.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2015
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On-line přístup: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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