Kumar S Saravana, Kumar S K Ashok, Kumar R Selva, Revathi S K, Bhargavi P S
Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Vellore, Tamil Nadu, 632014, India.
Department of Chemistry, Maharishi Markandeshwar Engineering College, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala, Haryana, 133207, India.
Anal Sci. 2023 Apr;39(4):527-535. doi: 10.1007/s44211-022-00263-8. Epub 2023 Jan 16.
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.
在本手稿中，易于获得的头孢菌素类药物头孢呋辛酯（L1）、头孢泊肟酯（L2）和头孢地尼分散片（L3）具有二氢噻嗪环作为信号单元，并使用-NH基团作为结合位点来检测氟（F）离子。在F存在的情况下，药物选择性地呈现出从无色到肉眼可检测的颜色变化。发现L1、L2和L3与F的1:1化学计量比配合物的结合常数分别为2.36×10⁶ M、2.44×10⁶ M和1.02×10⁶ M。使用药物L1和L2时，F的最低检测限（LOD）为11 µM（209 ppb）。通过¹H和¹⁹F核磁共振（NMR）光谱滴定、电喷雾电离质谱（ESI-MS）分析和密度泛函理论（DFT）研究，研究了药物与F的结合机制。在各种加标水和高露洁牙膏样品中监测了F的存在。总体而言，头孢菌素类药物在半水相中检测F离子方面显示出有前景的潜力。
