Dual-site ¹⁹F NMR/colorimetric probe with chemical shift encoding for multiplexed detection of biothiols and SO₂...

Biological substances and its metabolites, such as reactive sulfur species (e.g., biothiols, SO₂ derivatives), play pivotal roles in physiological processes through interdependent interactions. Their precise detection is critical for elucidating functional dynamics. However, their overlapping coexistence, structural similarity, and mutual interference pose significant challenges for simultaneous discrimination. Thus, it is imperative to develop a novel analytical approach enabling multiplexed discrimination in complex systems.

We herein report a dual-site ¹⁹F NMR/colorimetric probe to detect RSS species by 'naked' eye and then simultaneously resolve them in mixed solution through ¹⁹F NMR spectroscopy. This innovative platform exhibits rapid responsiveness towards biothiols and SO₂ derivatives, manifesting distinct color change alongside characteristic ¹⁹F NMR chemical shifts. The produced distinguishable ¹⁹F NMR signatures permit simultaneous detection and resolution of biothiols and SO₂ derivatives in mixtures.

We report a fluorinated dual-site probe enabling multiplexed analysis via ¹⁹F NMR and colorimetry. This strategy overcomes structural analog discrimination challenges in biomolecules, exemplified with sulfur-containing species. The design establishes a generalizable platform for resolving complex mixtures and advances chemosensory systems for simultaneous detection of coexisting bioactive analytes.