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19 F NMR transverse and longitudinal relaxation filter experiments for screening: a theoretical and experimental analysis
Author(s) -
Dalvit Claudio,
Piotto Martial
Publication year - 2017
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4500
Subject(s) - chemistry , relaxation (psychology) , sensitivity (control systems) , observable , nuclear magnetic resonance , transverse plane , isotropy , ligand (biochemistry) , nuclear magnetic resonance spectroscopy , filter (signal processing) , transverse relaxation optimized spectroscopy , analytical chemistry (journal) , stereochemistry , fluorine 19 nmr , chromatography , physics , receptor , optics , psychology , social psychology , biochemistry , structural engineering , quantum mechanics , electronic engineering , engineering , computer science , computer vision
Ligand‐based 19 F NMR screening represents an efficient approach for performing binding assays. The high sensitivity of the methodology to receptor binding allows the detection of weak affinity ligands. The observable NMR parameters that are typically used are the 19 F transverse relaxation rate and isotropic chemical shift. However, there are few cases where the 19 F longitudinal relaxation rate should also be used. A theoretical and experimental analysis of the 19 F NMR transverse and longitudinal relaxation rates at different magnetic fields is presented along with proposed methods for improving the sensitivity and dynamic range of these experiments applied to fragment‐based screening. Copyright © 2016 John Wiley & Sons, Ltd.