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Abstract: In this work, molecularly imprinted polymer (MIP) of thiocarbohydrazide (TCH) was prepared through electropolymerization and electrodeposition of pyrrole on a pencil graphite electrode. The ability of the fabricated MIP to act as a sensor of determining TCH in a few biological matrices was investigated. Preparation of MIP and quantitative measurements were performed by cyclic voltammetry (CV) and differential pulse voltammetry (DPV), respectively. Several important parameters controlling the performance of the polypyrrole and the method efficiency were investigated and optimized. The molecularly imprinted layer exhibited selectivity and sensitivity toward TCH. The selection of monomer was performed computationally using ab initio calculations. A computational study based on restricted MP2 was performed to evaluate the templateGÇômonomer geometry and interaction energy in the prepolymerization mixture. The calibration curve demonstrated linearity over a concentration range of 0.5 - 6 mM with a correlation coefficient (r2) of 0.9805. The detection limit of TCH was obtained 5.0 x 10-5 M
Template and target information: thiocarbohydrazide, TCH
Author keywords: Thiocarbohydrazide, Pencil graphite, polypyrrole, molecularly imprinted polymer, Computational study