O-Vanillin scaffold as selective chemosensor of PO43- and the application of neural network based soft computing to predict machine learning outcome

O-Vaniline derived Schiff base 1-[(E)-(2-Hydroxy-3-methoxybenzylidene) amino]-4-methylthiosemicarbazone (VCOH) has been synthesized for colorimetric and fluorescence chemosensor towards PO43- ion. Fluorescence ‘turn-on’ sensing knack of VCOH towards PO43- ion has been explained due to emission from the VCO– ion formed upon transfer of the phenolic proton of VCOH to PO43- ion. The 1:1 stoichiometry between the probe VCOH and PO43- ion is confirmed by Job’s plot based on UV-Vis titration. Limit of detection (LOD) of VCOH towards PO43- ion is found to be 0.49 nM. The PO43- ion sensing property of probe VCOH has been applied to prepare portable paper strips and the analysis of real water samples. Fluorescence ‘turn-on’ and ‘turn-off’ responses of VCOH towards PO43-and H+ respectively have been used to construct molecular logic gate. Fluorescence based sensing study by adjusting the concentration of analytes over a broad range can be both laborious and expensive. In order to address these challenges, we have utilized various soft computing methods, including artificial neural networks (ANN), fuzzy logic (FL), and adaptive neuro-fuzzy inference systems (ANFIS), to appropriately model the ‘turn-on’ and ‘turn-off’ behaviors of the VCOH probe upon addition of PO43- and H+ respectively as well as to predict the experimental sensing data.

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