Examining Terpyridine Ligand Binding Interactions with Cobalt and Aluminium: Synthesis, ADME Assessment, Reversibility, and DFT Analysis.

Abstract

This article emphasizes the influence of pyridine ring substitutions in 2,2':6',2″-terpyridine unit, allowing for precise adjustment of ligand properties. This study explores terpyridine-based molecular systems, with its unique coordination properties assessed against a range of competing metal ions, highlighting the specific affinity of the terpyridine ligand towards aluminium (Al) and cobalt (Co) detection in Acetonitrile-water (ACN-H₂O) mixed solvent (80:20). The terpyridine-based probe's structural component is meticulously designed and detailed investigated to understand their influence on sensing performance. Synthesised probes are characterised using NMR, IR, UV-Vis spectroscopy, and mass spectrometry. Such modifications present ample opportunities to customise the attributes and applications of resultant metal complexes. The interaction between the terpyridine-based probes and target metal ions is investigated through various experimental methods, including fluorescence spectroscopy and UV studies along with unassisted discernment of Cobalt through Naked-Eye. Observation turns out that the limit of detection is 4.4 × 10^-8 mol/L for cobalt and 4 × 10^-7 mol/L for aluminium and coordination features Showing the binding stoichiometry to be 1:1 for R1. ADME Studies have been performed to analyse pharmacokinetic and biological actions. DFT calculations were performed to investigate the molecular probe's coordination features and its corresponding metal complex.