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<p>This study examines the effectiveness of <i>Arachis hypogaea</i> L. shell extracts (AHSE) as a green inhibitor of brass corrosion in a 3% NaCl solution using experimental and computational methodologies. Furthermore, the synergistic inhibitory impact of AHSE and KI was investigated. In addition, the antioxidant and antibacterial activities of AHSE were assessed. Fractional extraction was utilized to extract the active compounds from <i>Arachis hypogaea</i> shell powder, resulting in three extracts: AHSE-Ac, AHSE-Bu, and AHSE-ME. The chemical content of these extracts was determined using high-performance liquid chromatography combined with mass spectrometry (HPLC/MS). These three extracts included 5.7-dihydroxychromone (10.78% for AHSE-Ac, 16.65% for AHSE-Bu, and 12.98% for AHSE-Me), eriodictyol (36.67% for AHSE-Ac, 30.95% for AHSE-Bu, and 19.95% for AHSE-Me), and luteolin (37.56% for AHSE-Ac, 36.92% for AHSE-Bu, and 39.39% for AHSE-Me). The effectiveness of corrosion inhibition was assessed using electrochemical measurements at 298&#xa0;K. Higher inhibition efficiency (η<sub>EIS</sub>) of 78.77% for AHSE-Ac, 68.27% for AHSE-Bu, and 80.08% for AHSE-Me were observed at the maximum concentration of 200&#xa0;mg/L. To further improve performance, the synergistic effect of AHSE and KI was examined. With efficiencies of 91.72% (AHSE-Ac/KI), 84.47% (AHSE-Bu/KI), and 92.82% (AHSE-Me/KI), the resulting AHSE/KI complexes mostly acted as cathodic inhibitors. SEM/EDX demonstrated the formation of protective adsorption layers in the presence of green inhibitors, as well as the synergistic action of AHSE/KI, which effectively prevented brass corrosion. The adsorption processes of AHSE-Ac, AHSE-Bu, and AHSE-Me major derivatives, as well as their synergy with KI, were investigated at the molecular level using combined Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations. The results provide a thorough molecular explanation of the remarkable effectiveness of the green inhibitors and their synergistic actions with KI, and they showed great concordance with experimental data. The antibacterial activity of the AHSE-Ac, AHSE-Bu, and AHSE-Me extracts was evaluated against two bacterial strains isolated from foods: Staphylococcus aureus and Escherichia coli, while the antioxidant potential was assessed by DPPH and Total Antioxidant Activity (TAC) methods. The three extracts presented a moderate antibacterial activity (inhibition diameters between 7.00 ± 0.00&#xa0;mm and 10.50 ± 0.71&#xa0;mm) with an important antioxidant effect compared to the BHT. However, the mixtures with KI didn’t show any added value in both activities.</p> Graphical Abstract <p></p>

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Bioactivity Assessment of Arachis hypogaea Shell Extracts and Their Synergistic Action with KI on Brass Corrosion in Chloride Media: Phytochemical Characterization, Electrochemical Performance, and Molecular Modeling

  • 期刊论文

  • 发表日期：

    2026年5月23日

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  • Fatima Janoub,
  • Soukaina El Amrani,
  • Abdelmounaim El Kaim Billah,
  • Ihssane Raissouni,
  • Mohammed Benmessaoud,
  • Youssef Zarki,
  • Khalid Draoui,
  • Dounia Bouchta,
  • Faiza Chaouket,
  • Anas Chraka

摘要

This study examines the effectiveness of Arachis hypogaea L. shell extracts (AHSE) as a green inhibitor of brass corrosion in a 3% NaCl solution using experimental and computational methodologies. Furthermore, the synergistic inhibitory impact of AHSE and KI was investigated. In addition, the antioxidant and antibacterial activities of AHSE were assessed. Fractional extraction was utilized to extract the active compounds from Arachis hypogaea shell powder, resulting in three extracts: AHSE-Ac, AHSE-Bu, and AHSE-ME. The chemical content of these extracts was determined using high-performance liquid chromatography combined with mass spectrometry (HPLC/MS). These three extracts included 5.7-dihydroxychromone (10.78% for AHSE-Ac, 16.65% for AHSE-Bu, and 12.98% for AHSE-Me), eriodictyol (36.67% for AHSE-Ac, 30.95% for AHSE-Bu, and 19.95% for AHSE-Me), and luteolin (37.56% for AHSE-Ac, 36.92% for AHSE-Bu, and 39.39% for AHSE-Me). The effectiveness of corrosion inhibition was assessed using electrochemical measurements at 298 K. Higher inhibition efficiency (ηEIS) of 78.77% for AHSE-Ac, 68.27% for AHSE-Bu, and 80.08% for AHSE-Me were observed at the maximum concentration of 200 mg/L. To further improve performance, the synergistic effect of AHSE and KI was examined. With efficiencies of 91.72% (AHSE-Ac/KI), 84.47% (AHSE-Bu/KI), and 92.82% (AHSE-Me/KI), the resulting AHSE/KI complexes mostly acted as cathodic inhibitors. SEM/EDX demonstrated the formation of protective adsorption layers in the presence of green inhibitors, as well as the synergistic action of AHSE/KI, which effectively prevented brass corrosion. The adsorption processes of AHSE-Ac, AHSE-Bu, and AHSE-Me major derivatives, as well as their synergy with KI, were investigated at the molecular level using combined Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations. The results provide a thorough molecular explanation of the remarkable effectiveness of the green inhibitors and their synergistic actions with KI, and they showed great concordance with experimental data. The antibacterial activity of the AHSE-Ac, AHSE-Bu, and AHSE-Me extracts was evaluated against two bacterial strains isolated from foods: Staphylococcus aureus and Escherichia coli, while the antioxidant potential was assessed by DPPH and Total Antioxidant Activity (TAC) methods. The three extracts presented a moderate antibacterial activity (inhibition diameters between 7.00 ± 0.00 mm and 10.50 ± 0.71 mm) with an important antioxidant effect compared to the BHT. However, the mixtures with KI didn’t show any added value in both activities.

Graphical Abstract