Human brain-inspired chemical artificial intelligence tools for the analysis and prediction of the anion-sensing characteristics of an imidazole-based luminescent Os(II)-bipyridine complex.

Abstract

Neural network and decision tree-based soft computing techniques are implemented in this work for the thorough analysis of the multichannel anion-sensing characteristics of an Os(II)-bipyridine complex derived from imidazole-4,5-bis(benzimidazole) ligand. With the aid of three imidazole NH protons in its outer coordination sphere, a substantial change in the spectral response as well as OsII/OsIII potential is made possible upon treating with anions of varying basicity. Initial hydrogen bonding between NH protons and anions and thereafter complete proton transfer from the complex backbone probably take place in the process. The deprotonation of the complex by specific anions and restoration to its original form by acid is also reversible. The responsiveness of the new compound is complex enough to imitate multiple sophisticated binary and ternary Boolean logic (BL) functions (NOT logic, combinational logic, traffic signal, set-reset flip-flop logic, and ternary NOR logic) by employing its spectral and redox outputs upon the action of suitable anions and acid in a proper sequence. Executing sensing investigations on altering the amount of the anions within a widespread range is often time-consuming and tedious. To overcome the lacuna, we implemented multiple soft computing techniques, viz., fuzzy logic (FL), artificial neural networks (ANNs), adaptive neuro-fuzzy inference system (ANFIS), and decision tree (DT) regression, for the thorough analysis and prediction of the experimentally observed results. The outcomes obtained from different techniques were compared among themselves as well as with the experimental data and utilized for the proper modeling of the anion-sensing behaviors of the complex.