Akademik Veri Yönetim Sistemi
Microchemical Journal, cilt.218, 2025 (SCI-Expanded)
Octylphenol is an industrial chemical widely used that can disrupt the human endocrine system. Therefore, in this study, a rapid, simple, and highly sensitive label-free DNA sensor for octylphenol (OP) detection was developed based on guanine (G) and adenine (A) oxidation signals on the surface of a screen-printed carbon/graphite electrode (SPCE)-modified cerium oxide nanoparticles (CeO2Nps) and double-stranded fish sperm DNA (fsds-DNA). The electrochemical signals of G and A decreased following OP damage to DNA, with the addition of OP. A computational approach, involving density functional theory and molecular docking, was employed to evaluate the interaction between the OP and a DNA structural model. DFT examination, via natural bond orbital analysis, revealed molecular preferences by identifying potential interaction centers associated with each atom and preferred transitions. Molecular docking analysis was conducted to elucidate the thermodynamically determined OP-DNA structure and its interaction types, involving the four pi-alkyl interactions and one conventional hydrogen bond. The sensor was characterized using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), field-emission scanning electron microscopy (FESEM), and energy-dispersive X-ray Spectroscopy (EDS). Based on the interaction between DNA and the electrode, the fsds-DNA/CeO2Nps/SPCE displayed a strong, enhanced oxidation peak of G and A. The calibration curves showed linearity up to 0.005 μM with a detection limit of 1.66 × 10−6 μM and 4.15 × 10−6 μM for G and A, respectively. The fsds-DNA/CeO2Nps/SPCE sensor was applied to biological samples with satisfactory results, and also displayed satisfactory stability, perfect reproducibility, and a reasonable interference effect.