Electrochemical and theoretical studies of some monoterpenic thiazolidinones as corrosion inhibitors for steel in acidic media

Idouhli, Rachid; Ousidi, Abdellah N'ait; Khadiri, M.; Abouelfida, A.; Itto, My Youssef Ait; Auhmani, Aziz; Benyaich, A.

doi:10.1080/01694243.2020.1850011

Cited by 16 publications

(6 citation statements)

References 51 publications

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“…In the blank solution, the surface roughness Sq of Q235 was 15.092. With the increase in inhibitor concentration, the surface roughness Sq of Q235 decreased gradually as the followed sequence: 10 mg/L > 20 mg/L > 30 mg/L > 40 mg/L, indicating that the corrosion inhibition ability was enhanced with the increase in the concentration of OL 38,43,44 …”

Section: Resultsmentioning

confidence: 95%

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Extraordinary corrosion inhibition efficiency of omeprazole in 1 M HCl solution: Experimental and theoretical investigation

Wang

Liu

et al. 2023

Surface & Interface Analysis

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Omeprazole (OL) as a green and efficient drug corrosion inhibitor was first investigated for the corrosion inhibition of Q235 carbon steel at 298, 308, and 318 K. Open circuit potential, Tafel, electrochemical impedance spectroscopy, and weight loss were used to evaluate the inhibition performance toward Q235 carbon steel in HCl medium. The results showed that OL exhibited excellent corrosion protection to carbon steel at different temperatures because of forming the compact and ordered OL adsorption film on Q235 surface. Especially, the inhibition efficiency increased to 96.11%, 95.12%, and 94.04% for 40-mg/L OL in Tafel at 298, 308, and 318 K. Meanwhile, N-Fe and S-Fe bonds determined from X-ray photoelectron spectroscopy revealed the multiple anchoring interactions between steel and OL with S and N atoms as the active sites. Density functional theory and molecular dynamics simulations showed the low energy gap ΔE and high adsorption energy values, besides the radial distribution function (RDF) indicating the strong chemical sorption of OL on Fe surface, which proved the superior corrosion inhibition efficiency of OL at a molecular or atomic level.

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Section: Resultsmentioning

confidence: 95%

“…10 mg/L > 20 mg/L > 30 mg/L > 40 mg/L, indicating that the corrosion inhibition ability was enhanced with the increase in the concentration of OL. 38,43,44…”

Section: D Topographymentioning

confidence: 99%

Extraordinary corrosion inhibition efficiency of omeprazole in 1 M HCl solution: Experimental and theoretical investigation

Wang

Liu

et al. 2023

Surface & Interface Analysis

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“…The outcomes files of the optimization were opened using GaussView 6.0. The energy was minimized by applying the hybrid functional method B3LYP and basis set 6-31G(d,p) [ 44 ]. The molecular docking study was executed using well-known software [ 43 ].…”

Section: Methodsmentioning

confidence: 99%

Bioassay-Guided Alkaloids Isolation from Camellia sinensis and Colchicum luteum: In Silico and In Vitro Evaluations for Protease Inhibition

et al. 2023

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Bioassay-guided isolation from Camellia sinensis (Theaceae) and Colchicum luteum (Liliaceae) utilizing an in vitro model of protease assay revealed colchicine (1) and caffeine (2) from chloroform fractions, respectively. Their structures were validated using spectral techniques. The purified compounds were further optimized with Gaussian software utilizing the B3LYP functional and 6-31G(d,p) basis set. The result files were utilized to determine several global reactivity characteristics to explain the diverse behavior of the compounds. Colchicine (1) showed a higher inhibition of protease activity (63.7 ± 0.5 %age with IC50 = 0.83 ± 0.07 mM), compared with caffeine (2) (39.2 ± 1.3 %age). In order to determine the type of inhibition, compound 1 was further studied, and, based on Lineweaver–Burk/Dixon plots and their secondary replots, it was depicted that compound 1 was a non-competitive inhibitor of this enzyme, with a Ki value of 0.690 ± 0.09 mM. To elucidate the theoretical features of protease inhibition, molecular docking studies were performed against serine protease (PDB #1S0Q), which demonstrated that compound 1 had a strong interaction with the different amino acid residues located on the active site of this understudied enzyme, with a high docking score of 16.2 kcal/mol.

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“…Table 4. Adjusted parameters of EIS spectra for copper in 3.5 wt.% NaCl solution in the absence and presence of various doses of CHBI at 298 K. In EIS, a CPE is frequently employed in place of an ideal capacitor to accommodate the frequency dispersion response [51]. In this context, the CPE dl is utilized to model the double-layer capacitance at the metal-solution interface.…”

Section: Electrochemical Impedance Spectroscopymentioning

confidence: 99%

Exploring the Efficacy of Benzimidazolone Derivative as Corrosion Inhibitors for Copper in a 3.5 wt.% NaCl Solution: A Comprehensive Experimental and Theoretical Investigation

Adardour,

Lasri,

Ait Lahcen

et al. 2023

Molecules

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This study focuses on the synthesis, theoretical analysis, and application of the corrosion inhibitor known as benzimidazolone, specifically 1-(cyclohex-1-enyl)-1,3-dihydro-2H-benzimiazol-2-one (CHBI). The structure of CHBI was determined by X-ray diffraction (XRD). The inhibitory properties of CHBI were investigated in a 3.5 wt.% NaCl solution on pure copper using various electrochemical techniques such as potentiodynamic polarization curves (PDPs) and electrochemical impedance spectroscopy (EIS), as well as scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDX), UV-visible spectroscopy, and theoretical calculations. The obtained results indicate that CHBI is an excellent inhibitor, exhibiting remarkable effectiveness with an inhibition rate of 86.49% at 10−3 M. To further confirm the extent of adsorption of the inhibitory molecule on the copper surface, density functional theory (DFT) and Monte Carlo (MC) simulation studies were conducted. The results of this study demonstrate the synthesis and characterization of CHBI as a corrosion inhibitor. The experimental and theoretical analyses provide valuable insights into the inhibitory performance of CHBI, indicating its strong adsorption on the copper surface.

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Electrochemical and theoretical studies of some monoterpenic thiazolidinones as corrosion inhibitors for steel in acidic media

Cited by 16 publications

References 51 publications

Extraordinary corrosion inhibition efficiency of omeprazole in 1 M HCl solution: Experimental and theoretical investigation

Extraordinary corrosion inhibition efficiency of omeprazole in 1 M HCl solution: Experimental and theoretical investigation

Bioassay-Guided Alkaloids Isolation from Camellia sinensis and Colchicum luteum: In Silico and In Vitro Evaluations for Protease Inhibition

Exploring the Efficacy of Benzimidazolone Derivative as Corrosion Inhibitors for Copper in a 3.5 wt.% NaCl Solution: A Comprehensive Experimental and Theoretical Investigation

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