Search

A novel Coumarin-based 1,2-pyrazole, HCPyTSC is synthesised and characterized. The chemosensor has been shown to have efficient colourimetric and fluorescence sensing capabilities for the quick and selective detection of fluoride and copper ions. At 376 and 430 nm, the HCPyTSC exhibits selective sensing for Cu 2+ and F - ions. By examining the natural bond orbital (NBO) analysis and the potential energy curve (PES) of the ground state for the function of the C-H bond, it has been determined from the theoretical study at hand that the deprotonation was taken from the 'CH' proton of the pyrazole ring. For F - and Cu 2+ , the HCPyTSC detection limits were 4.62 nM and 15.36 nM, respectively. Similarly, the binding constants (Kb) for F - and Cu 2+ ions in acetonitrile medium were found to be 2.06 × 10 5  M -1 and 1.88 × 10 5  M -1 . Chemosensor HCPyTSC with and without F - and Cu 2+ ions have an emission and absorption response that can imitate a variety of logic gates, including the AND, XOR, and OR gates. Additionally, a paper-based sensor strip with the HCPyTSC was created for use in practical, flexible F - sensing applications. The paper-based sensor was more effective in detecting F - than other anions. The effectiveness of HCPyTSC for the selective detection of F - in living cells as well as its cell permeability were examined using live-cell imaging in T24 cells., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2024 Published by Elsevier Ltd.)

The selective chemosensing behaviour of imidazole bisthiocarbohydrazone (IBTC) towards F - and Cu 2+ are studied via colorimetric, UV-Visible, fluorescence spectra studies, and binding constants were calculated. The 1 H NMR titration study strongly support that the deprotonation of IBTC followed by the hydrogen bond formation via N1H1 and N2H2 protons with fluoride ion. The fluorescence inactive IBTC-Cu complex became fluorescence active in the presence of perchlorate (ClO 4 - ) ion. The selective detection of perchlorate ion was also explained. The F - sensing mechanism of IBTC has been investigated by Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT) methods. The theoretical outcomes well reproduce the experimental results. And it concluded the NH protons, nearby the imine group was first captured by the added F - ion and then deprotonation happened followed by the formation of hydrogen bond. The IBTC found good reversibility character with the alternative addition of Ca 2+ and F - . The multi-ion detection of IBTC was used to construct the NOR, OR and INHIBITION molecular logic gates., (Copyright © 2017 Elsevier B.V. All rights reserved.)