DFT-assisted design of a electrochemical sensor based on MIP/CNT/MoS2-CoNi for the detection of sulfamethazine in meat

In this study, a new electrochemical sensing platform for sulfamethazine (SDM) was prepared using MIP/CNT/MoS 2 -CoNi/GCE as an electrode modifier on a glassy carbon electrode (GCE). Firstly, theoretical simulations and quantum calculations based on density-functional theory (DFT) accelerate the prediction of the template molecule-to-functional monomer ratio. Nanocatalytic materials (CNT/MoS 2 -CoNi) loaded with metal ions Co and Ni were synthesised by a simple solvothermal method and then drop-coated onto GCE. The molecularly imprinted polymer (MIP) film with specific recognition sites can be generated on the modified electrode by electropolymerization. The successful formation of nanocatalytic materials was assessed by various characterisations such as scanning electron microscopy and X-ray diffraction. Under optimal conditions, the constructed sensor showed excellent detection efficiency for the oxidation of SDM in phosphate buffer solution (PBS, pH = 8.0) with a linear range of 0.1 μM to 800 μM and a detection limit of 0.033 μM. The sensor exhibits exceptional stability, reproducibility, and anti-interference capabilities, rendering it suitable for the detection of SDM residues in meat.