作者: Yanchuan Zhao , Lily Chen , Timothy M. Swager
关键词: Computational chemistry 、 Binding site 、 Bioactive molecules 、 Nuclear magnetic resonance spectroscopy 、 Organic chemistry 、 Fluorine 、 Palladium 、 Carbon 、 Chemistry 、 Analyte
摘要: A chemosensory system is reported that operates without the need for separation techniques and capable of identifying anions structurally similar bioactive molecules. In this strategy, coordination analytes to a metal complex with an open binding cleft generates "static structures" on NMR timescale. Unique signals are created by strategically placing fluorine atoms in close proximity bound so small structural differences induce distinct (19)F shifts can be used identify each analyte. The utility method illustrated quantifying caffeine levels coffee, ingredients tea energy drinks, discriminating between multiple biogenic amines remote six carbon away from site. We further demonstrate simultaneous identification neutral anionic species mixture.