Unveiling the dual role of a novel azomethine: Corrosion inhibition and antioxidant potency – a multifaceted study integrating experimental and theoretical approaches.

• Azomethine (SB) synthesized for corrosion inhibition and antioxidant use. • SB achieves 94.24% corrosion inhibition at 5 × 10^−4 m in 1 M HCl, proving effective. • SEM and AFM show SB's adsorption on XC48, following langmuir isotherm with dual mechanisms. • SB has high antioxidant activity, with an IC50 of 0.0148 μg/mL against DPPH radicals. • Computational studies support SB's corrosion inhibition and antioxidant properties. • Molecular docking indicates SB binds with several enzymes, showing broad applications. In the pursuit of sustainable corrosion management strategies, this study unveils a novel organic azomethine, 1-[(E)-(1H-1,2,4-Triazol-3-ylimino)methyl]-2-naphthol (SB), as a dual-function corrosion inhibitor and antioxidant for X48 carbon steel in 1 M HCl solution. Distinctive for its environmentally friendly profile, SB represents a pivotal advancement, offering a greener alternative that synergistically addresses corrosion inhibition and oxidative stress. The synthesis and characterization of SB were confirmed using UV–Vis, FTIR, NMR, mass spectrometry, TGA, and DSC techniques. Its corrosion inhibition for X48 carbon steel in 1 M HCl was evaluated using gravimetric analysis, EIS, and PDP, analyzing concentration and temperature effects. Surface interactions were examined through SEM, EDX, AFM, UV–Vis, and water contact angle, supported by Langmuir isotherm and thermodynamic assessments. Computational studies explored the inhibitor-surface dynamics, including DFT, NCI, and QTAIM. Antioxidant capacity was assessed with DPPH• scavenging, and molecular docking provided insights into SB's binding and enzyme complex stability. SB showcased exceptional corrosion inhibition on X48 carbon steel in 1 M HCl, achieving up to 94.24% efficiency (WL), 90.82% (EIS), and 91.33% (PDP) at a concentration of 5 × 10⁻⁴ M. The process, governed by chemical adsorption and physisorption, aligns with the Langmuir isotherm model. Surface analysis and UV–Vis spectroscopy revealed Fe-SB complex formation, supporting the inhibition mechanism. Computational analyses highlighted SB's interaction at the molecular level, with docking studies revealing its inhibitory potential against targets like xanthine oxidase, NADPH oxidase, Acidithiobacillus ferrooxidans (1H10), and COVID-19. The comparative binding energies suggest SB's superior inhibitory activity towards 1H1O. These findings highlight SB's promising multifunctional properties, positioning it as an environmentally friendly inhibitor for carbon steel corrosion and indicating potential biomedical applications. [Display omitted] [ABSTRACT FROM AUTHOR]