Fuzzy Logic, Artificial Neural Network, and Adaptive Neuro-Fuzzy Inference Methodology for Soft Computation and Modeling of Ion Sensing Data of a Terpyridyl-Imidazole Based Bifunctional Receptor

Anik Sahoo; Sujoy Baitalik

doi:10.3389/fchem.2022.864363

Fuzzy Logic, Artificial Neural Network, and Adaptive Neuro-Fuzzy Inference Methodology for Soft Computation and Modeling of Ion Sensing Data of a Terpyridyl-Imidazole Based Bifunctional Receptor

Front Chem. 2022 Mar 23:10:864363. doi: 10.3389/fchem.2022.864363. eCollection 2022.

Authors

Anik Sahoo¹, Sujoy Baitalik¹

Affiliation

¹ Inorganic Chemistry Section, Department of Chemistry, Jadavpur University, Kolkata, India.

Abstract

Anion and cation sensing aspects of a terpyridyl-imidazole based receptor have been utilized in this work for the fabrication of multiply configurable Boolean and fuzzy logic systems. The terpyridine moiety of the receptor is used for cation sensing through coordination, whereas the imidazole motif is utilized for anion sensing via hydrogen bonding interaction and/or anion-induced deprotonation, and the recognition event was monitored through absorption and emission spectroscopy. The receptor functions as a selective sensor for F^- and Fe²⁺ among the studied anions and cations, respectively. Interestingly, the complexation of the receptor by Fe²⁺ and its decomplexation by F^- and deprotonation of the receptor by F^- and restoration to its initial form by acid are reversible and can be recycled. The receptor can mimic various logic operations such as combinatorial logic gate and keypad lock using its spectral responses through the sequential use of ionic inputs. Conducting very detailed sensing studies by varying the concentration of the analytes within a wide domain is often very time-consuming, laborious, and expensive. To decrease the time and expenses of the investigations, soft computing approaches such as artificial neural networks (ANNs), fuzzy logic, or adaptive neuro-fuzzy inference system (ANFIS) can be recommended to predict the experimental spectral data. Soft computing approaches to artificial intelligence (AI) include neural networks, fuzzy systems, evolutionary computation, and other tools based on statistical and mathematical optimizations. This study compares fuzzy, ANN, and ANFIS outputs to model the protonation-deprotonation and complexation-decomplexation behaviors of the receptor. Triangular membership functions (trimf) are used to model the ANFIS methodology. A good correlation is observed between experimental and model output data. The testing root mean square error (RMSE) for the ANFIS model is 0.0023 for protonation-deprotonation and 0.0036 for complexation-decomplexation data.

Keywords: ANFIS; ANN; combinatorial logic; fuzzy logic; keypad lock; terpyridine.