Advanced quantum chemical and electrochemical analysis of ravage drugs for corrosion inhibition of mild steel

References

• Verma C, Olasunkanmi LO, Ebenso EE, et al. Adsorption behavior of glucosamine-based, pyrimidine-fused heterocycles as green corrosion inhibitors for mild steel: experimental and theoretical studies. J Phys Chem C. 2016;120:11598–11611.
   Web of Science ®Google Scholar
• Singh P, Ebenso EE, Olasunkanmi LO, et al. Electrochemical, theoretical, and surface morphological studies of corrosion inhibition effect of green naphthyridine derivatives on mild steel in hydrochloric acid. J Phys Chem C. 2016;120:3408–3419.
   Web of Science ®Google Scholar
• Samide A, Tutunaru B, Negrila C. Corrosion inhibition of carbon steel in hydrochloric acid solution using a sulfa drug. Chem Biochem Eng Q. 2011;25:299–308.
   Web of Science ®Google Scholar
• Gece G. Drugs: A review of promising novel corrosion inhibitors. Corros Sci. 2011;53:3873–3898.
   Web of Science ®Google Scholar
• Singh AK, Quraishi M. Effect of Cefazolin on the corrosion of mild steel in HCl solution. Corros Sci. 2010;52:152–160.
   Web of Science ®Google Scholar
• Patrick GL. An introduction to medicinal chemistry. Oxford, UK: Oxford university press; 2013.
   Google Scholar
• Dewar MJ, Thiel W. Ground states of molecules.38.The MNDO method. Approximations and parameters. J Am Chem Soc. 1977;99:4899–4907.
   Web of Science ®Google Scholar
• Pearson RG. Absolute electronegativity and hardness: applications to organic chemistry. J Org Chem. 1989;54:1423–1430.
   Web of Science ®Google Scholar
• Pearson RG. Absolute electronegativity and hardness: application to inorganic chemistry. Inorg Chem. 1988;27:734–740.
   Web of Science ®Google Scholar
• Pearson RG. Hard and soft acids and bases—the evolution of a chemical concept. Coord Chem Rev. 1990;100:403–425.
   Web of Science ®Google Scholar
• Kokalj A. On the HSAB based estimate of charge transfer between adsorbates and metal surfaces. Chem Phys. 2012;393:1–12.
   Web of Science ®Google Scholar
• Bunte SW, Sun H. Molecular modeling of energetic materials: the parameterization and validation of nitrate esters in the COMPASS force field. J Phys Chem B. 2000;104:2477–2489.
   Web of Science ®Google Scholar
• Zhang Z, Tian NC, Huang XD, et al. Synergistic inhibition of carbon steel corrosion in 0.5 M HCl solution by indigo carmine and some cationic organic compounds: experimental and theoretical studies. RSC Adv. 2016;6:22250–22268.
   Web of Science ®Google Scholar
• Lgaz H, Salghi R, Jodeh S, et al. Effect of clozapine on inhibition of mild steel corrosion in 1.0M HCl medium. J Mol Liq. 2017;225:271–280.
   Web of Science ®Google Scholar
• Eddy NO, Ebenso EE. Quantum chemical studies on the inhibition potentials of some penicillin compounds for the corrosion of mild steel in 0.1 M HCl. J Mol Model. 2010;16:1291–1306.
   PubMed Web of Science ®Google Scholar
• Shukla SK, Quraishi M. The effects of pharmaceutically active compound doxycycline on the corrosion of mild steel in hydrochloric acid solution. Corros Sci. 2010;52:314–321.
   Web of Science ®Google Scholar
• Lgaz H, Salghi R, Subrahmanya Bhat K, et al. Correlated experimental and theoretical study on inhibition behavior of novel quinoline derivatives for the corrosion of mild steel in hydrochloric acid solution. J Mol Liq. 2017;244:154–168.
   Web of Science ®Google Scholar
• Lgaz H, Subrahmanya Bhat K, Salghi Shubhalaxmi, R, et al. Insights into corrosion inhibition behavior of three chalcone derivatives for mild steel in hydrochloric acid solution. J Mol Liq. 2017;238:71–83.
   Web of Science ®Google Scholar
• Ekop A, Eddy N. Inhibitive and adsorptive properties of orphenadrine for the corrosion of mild steel in H2SO4. Aust J Basic Appl Sci. 2008;2:1258.
   Google Scholar
• Srivastava V, Haque J, Verma C, et al. Amino acid based imidazolium zwitterions as novel and green corrosion inhibitors for mild steel: Experimental, DFT and MD studies. J Mol Liq. 2017;244:340–352.
   Web of Science ®Google Scholar
• Kumar R, Chahal S, Kumar S, et al. Corrosion inhibition performance of chromone-3-acrylic acid derivatives for low alloy steel with theoretical modeling and experimental aspects. J Mol Liq. 2017;243:439–450.
   Web of Science ®Google Scholar
• Baertschi SW, Dorman DE, Occolowitz JL, et al. Isolation and structure elucidation of a novel product of the acidic degradation of cefaclor. J Pharm Sci. 1993;82:622–626.
   PubMed Web of Science ®Google Scholar
• Fabre H, Eddine NH, Berge G. Degradation kinetics in aqueous solution of cefotaxime sodium, a third‐generation cephalosporin. J Pharm Sci. 1984;73:611–618.
   PubMed Web of Science ®Google Scholar
• Berge S, Henderson N, Frank M. Kinetics and mechanism of degradation of cefotaxime sodium in aqueous solution. J Pharm Sci. 1983;72:59–63.
   PubMed Web of Science ®Google Scholar
• Kumar R, Chahal S, Kumar S, et al. Experimental and theoretical approach to exploit the corrosion inhibition activity of 3-formyl chromone derivatives on mild steel in 1 m H2SO4. Corros Rev. 2017;35.
   Web of Science ®Google Scholar
• Salarvand Z, Amirnasr M, Talebian M, et al. Enhanced corrosion resistance of mild steel in 1M HCl solution by trace amount of 2-phenyl-benzothiazole derivatives: Experimental, quantum chemical calculations and molecular dynamics (MD) simulation studies. Corros Sci. 2017;114:133–145.
   Web of Science ®Google Scholar
• Awad MK. Quantum chemical studies and molecular modeling of the effect of polyethylene glycol as corrosion inhibitors of an aluminum surface. Can J Chem. 2013;91:283–291.
   Web of Science ®Google Scholar
• Wazzan NA, Obot IB, Kaya S. Theoretical modeling and molecular level insights into the corrosion inhibition activity of 2-amino-1,3,4-thiadiazole and its 5-alkyl derivatives. J Mol Liq. 2016;221:579–602.
   Web of Science ®Google Scholar
• Saha SK, Murmu M, Murmu NC, et al. Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium: a combined DFT and MD simulation study. J Mol Liq. 2016;224:629–638.
   Web of Science ®Google Scholar
• Dahiya S, Kumar P, Lata S, et al. An exhaustive study of a coupling reagent (1-(3-dimethylaminopropyl) 3-ethylcarbodiimide hydrochloride) as corrosion inhibitor for steel. Ind J Chem Tech. 2017;24:327–335.
   Web of Science ®Google Scholar
• Dahiya S, Saini N, Lata S, et al. Corrosion inhibition activity of an expired antibacterial drug in acidic media amid elucidate DFT and MD simulations. Port Electrochim Acta. 2018;36:213–223.
   Web of Science ®Google Scholar
• Lata S, Chaudhary RS. Some triphosphates as corrosion inhibitors for mild steel in 3% NaCl solution. Ind J Chem Tech. 2008;15:364–374.
   Web of Science ®Google Scholar
• Dahiya S, Lata S, Kumar R, et al. Comparative performance of Uroniums for controlling corrosion of steel with methodical mechanism of inhibition in acidic medium: Part1. J Mol Liq. 2016;221:124–132.
   Web of Science ®Google Scholar
• Saini N, Kumar R, Lgaz H, et al. Minified dose of urispas drug as better corrosion constraint for soft steel in sulphuric acid solution. J. Mol. Liq. 2018;269:371–380.
   Web of Science ®Google Scholar