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Eco-Friendly Corrosion Inhibition of Mild Steel in 1 M HCl Using Trametes versicolor (Turkey Tail Mushroom) Extracts: Experimental and Theoretical Insights

  • Qendrim Ramshaj (Department of Biology, Faculty of Natural and Mathematics Science, University of Prishtina) ;
  • Adelina Halili (Kosovo Forensic Agency) ;
  • Veprim Thaci (Department of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina) ;
  • Jeton Halili (Department of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina) ;
  • Valbone Mehmeti (Faculty of Agriculture and Veterinary, University of Prishtina) ;
  • Behar Baxhaku (Department of Mathematics, Faculty of Natural and Mathematics Science, University of Prishtina) ;
  • Makfire Sadiku (Department of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina) ;
  • Ilir Mazreku (Department of Biology, Faculty of Natural and Mathematics Science, University of Prishtina) ;
  • Arianit Reka (Faculty of Natural Sciences and Mathematics, University of Tetova) ;
  • Avni Berisha (Department of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina)
  • Received : 2025.04.22
  • Accepted : 2025.06.23
  • Published : 2025.12.31

Abstract

In pursuit of greener corrosion control, this study evaluates Trametes versicolor (Turkey Tail Mushroom) extract as a corrosion inhibitor for mild steel in 1 M HCl. Using experimental and theoretical approaches, the extract achieved up to 92.1% inhibition efficiency at 800 mg/L, though efficiency declined with higher temperatures, suggesting predominantly physical adsorption with possible chemisorption. GC-MS/MS and FTIR analyses revealed various bioactive compounds-mainly flavonoids and polyphenols-containing functional groups like hydroxyl, carbonyl, and amine that promote protective film formation on the metal surface. UV-Vis spectroscopy confirmed iron-inhibitor complex formation, indicating chemical interactions at the interface. To support these results, DFT, MD, and MC simulations provided molecular-level insights into adsorption behavior, highlighting myricetin and rutin as key compounds with strong binding affinities and favorable electronic properties. A QSAR model with 22 molecular descriptors was developed to predict adsorption energies, identifying frontier orbital energies and surface area as major factors influencing inhibitor performance. These findings demonstrate the potential of T. versicolor extract as an eco-friendly corrosion inhibitor and offer valuable molecular insights for designing bio-based corrosion control strategies.

Keywords

Acknowledgement

This study was supported by the University of Prishtina through the project entitled "The Power of Mushroom Extracts: Kosovo's New Green Corrosion Inhibitors" The authors also gratefully acknowledge the support of the Ministry of Education, Science, Technology, and Innovation (MESTI) of Kosovo (Grant No. 2-5069) for providing the computational resources necessary for this research.

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