Quantum Chemical Studies and Electrochemical Investigations of Polymerized Brilliant Blue-Modified Carbon Paste Electrode for In Vitro Sensing of Pharmaceutical Samples

To develop an electrochemical sensor for electroactive molecules, the choice and prediction of redox reactive sites modifier play a critical role in establishing sensing mediating mechanism. Therefore, to understand mechanism modifier, we used advanced density functional theory (DFT)-based quantum chemical modeling. A carbon paste electrode (CPE) was modified with electropolymerization brilliant blue, later employed detection paracetamol (PA) folic acid (FA). PA is analgesic, anti-inflammatory antipyretic prescription commonly medical fields, overdose or prolonged use may harm liver kidney. The deficiency FA associated neural tube defects (NTDs) therefore quantification are very essential prevent problems congenital deformities spinal column, skull brain fetus pregnant women. Hence, based on polymerized blue-modified working (BRB/CPE) fabricated physiological pH. real analytical applicability proposed judged by employing it analysis pharmaceutical sample, good recovery results were obtained. potential excipients do not have significant contribution electro-oxidation at BRB/CPE, which makes promising platform. method valid presence possible excipients. modeling-based DFT lay new foundation researchers establish modifier–analyte interaction mechanisms.