Analysis of the protection of copper corrosion by using amino acid inhibitors

Since the human body is one of the highly aggressive environments, the materials utilized for an implant should have high resistance to degradation and corrosion. One of the commonly used biomaterials in medicine is copper (Cu). The Cu corrosion can result in the release of ions in the body with hig...

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Bibliographic Details
Published in:Journal of molecular modeling 2023-01, Vol.29 (1), p.27, Article 27
Main Authors: Kadhim, Mustafa M., Alabboodi, Khalid O., Hachim, Safa K., Abdullaha, Sallah Ahmed, Taban, Taleeb Zedan, Rheima, Ahmed Mahdi
Format: Article
Language:English
Subjects:
Adsorption
Amino Acids
Biocompatibility
Biocompatible Materials - chemistry
Biomedical materials
Biomolecules
Characterization and Evaluation of Materials
Chemistry
Chemistry and Materials Science
Computer Appl. in Life Sciences
Computer Applications in Chemistry
Copper
Copper - chemistry
Corrosion
Corrosion inhibitors
Corrosion resistance
Density functional theory
Electrons
Energy gap
High resistance
Humans
Molecular Medicine
Original Paper
Softness
Surgical implants
Theoretical and Computational Chemistry
Toxic diseases
Toxicity
Valine
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Summary:Since the human body is one of the highly aggressive environments, the materials utilized for an implant should have high resistance to degradation and corrosion. One of the commonly used biomaterials in medicine is copper (Cu). The Cu corrosion can result in the release of ions in the body with high toxicity, thereby causing inflammatory diseases. Based on the literature, as biomolecules, amino acids act as a corrosion inhibitor in aggressive solutions. The current work aims at scrutinizing the inhibition impact of L-arginine (L-Arg) and L-Valine (L-Val), which have been rarely investigated, upon the corrosion process of Cu. We undertook density functional theory computations to scrutinize the inhibitory impact of L-Arg and L-Val as well as their conformers upon Cu corrosion. Also, we scrutinized the computed parameters according to the back donation of electrons between Cu and the inhibitors, transported electron fraction, energy gap, softness, hardness, E HOMO , and E LUMO . According to the theoretical indices of L-Arg, it prefers adsorption. We examined the inhibitory efficiency of L-Arg against corrosion and found that it is a promising inhibitor.
ISSN:1610-2940
0948-5023
DOI:10.1007/s00894-022-05424-0