A comparative performance evaluation of cephalosporin’s drugs for fluoride recognition

In this manuscript, readily available cephalosporin’s drugs cefuroxime axetil (L1) cefpdoxime proxetil (L2), and cefditoren pivoxil (L3) possess dihydrothiazine ring as signaling unit, and -NH groups as the binding site were used for the sensing of fluoride (F) ions. In the presence of F, the drug selectively portrayed a naked-eye detectable color change from colorless. The binding constant of 1:1 stoichiometric complex of L1, L2, and L3 with F was found to be 2.36 × 10 M, 2.44 × 10 M and 1.02 × 10 M respectively. The lowest detection limit (LOD) of F was found to be 11 µM (209 ppb) with drug L1 and L2. The binding mechanism of the drug with F was studied by H and F nuclear magnetic resonance (NMR) spectral titration, electrospray ionization mass spectra (ESI–MS) analysis, and density functional theory (DFT) studies. The presence of F was monitored in various spiked water and Colgate toothpaste samples. Overall, cephalosporin’s drug demonstrates a promising potential for the detection of F ions in the semi-aqueous phase. Graphical Abstract: [Figure not available: see fulltext.]