Differential pulse voltametric determination of deferasirox in pharmaceutical formulation and biological fluids using gold screen-printed electrodes, electrochemical investigation and computational study

Deferasirox (DFX) is a commonly utilized iron chelation therapy designed to manage iron overload in patients with thalassemia who require regular blood transfusions. Despite its efficacy, the prolonged use of DFX poses potential toxicities, underscoring the need for the development of a reliable and efficient method for detecting DFX in pharmaceutical dosage forms and clinical settings. This study developed an effective electroanalytical sensor for the detection of DFX using a screen-printed gold electrode. Differential pulse voltammetry under basic conditions (pH 13) detected a single anodic peak current at 0.45V. The calibration curve of DFX was found to be linear in concentrations ranging from 1.0 × 10 −4 μmol L -1 to 1.0 × 10 3 μmol L -1 in buffer, 2.0 × 10 −2 μmol L -1 to 4.0 × 10 2 μmol L -1 in urine and 2.0 × 10 −2 μmol L -1 to 3.0 × 10 2 μmol L -1 in serum, with LOD of 1.0 × 10 −4 μmol L -1 in buffer, and 2.0 × 10 −2 μmol L -1 in urine and serum, respectively. Density functional theory was performed to highlight the stability of the hexadentate coordination of DFX with iron. Based on theoretical calculation, the HOMO–LUMO energy gap for [Fe-DFX], high spin, [Fe-DFX] low spin and [Fe(DFX) 2 ] 3 complexes are 0.144, 0.232, and 0.245 eV, respectively.