Anti-corrosion behavior of 2-((3-(2-morpholino ethylamino) -N3-((pyridine-2-yl)methyl)propylimino)methyl)pyridine and its reduced form on Carbon Steel in Hydrochloric Acid solution: Experimental and theoretical studies

Rezaeivala, Majid; Karimi, Saeid; Tüzün, Burak; Sayın, Koray

doi:10.1016/j.tsf.2021.139036

Cited by 30 publications

(9 citation statements)

References 26 publications

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“…A comparison of the activities of the molecules in RM against antioxidant and enzyme proteins was made. This calculation makes it easy for us to examine the interaction points of the molecules, to predict the active site in the molecule and, most importantly, to examine what kind of chemical interactions they make [29–32] . In molecular docking calculations, proteins of both anti‐oxidants and enzymes were studied against the molecules in RM.…”

Section: Resultsmentioning

confidence: 99%

“…This calculation makes it easy for us to examine the interaction points of the molecules, to predict the active site in the molecule and, most importantly, to examine what kind of chemical interactions they make. [29][30][31][32] In molecular docking calculations, proteins of both anti-oxidants and enzymes were studied against the molecules in RM. These proteins studied are Human peroxiredoxin 5 protein (HP5) (pdb ID: 1HD2), [33] Bovine Xanthine Oxidase protein (BXO) (pdb ID: 3NRZ), [34] Antibacterial FabH Inhibitor protein (AFI) (pdb ID: 4Z8D), [35] acetylcholinesterase (AChE) (pdb ID: 4 M0E), [36] and -glycosidase (a-Gly) (pdb ID: 1R47).…”

Section: Chemistryselect Molecular Docking Calculationmentioning

confidence: 99%

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The Evaluation of Anticancer, Antioxidant, Antidiabetic and Anticholinergic Potentials of Endemic Rhabdosciadium microcalycinum Supported by Molecular Docking Study

et al. 2022

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Lung cancer is the most common cancer worldwide and the leading cause of cancer‐related death. Plant‐derived natural products and compounds are an inspiring source of chemotherapeutic agents. Alzheimer's disease (AD) is linked to the decline of acetylcholine (ACh) effects in the brain, so acetylcholinesterase (AChE) inhibitors are important in the treatment of AD. In this study, the chemical components and bioactivity of ethanolic extract of Rhabdosciadium microcalycinum (RM) was investigated by various methods. The lipophilic components of RM was determined by gas chromagraphy‐mass spectrometry (GC‐MS). Antioxidant activicty tests were evaluated with FCAP (Ferrous chelating antioxidant power assay), FRAP (Ferric reducing antioxidant power assay), ABTS (2,2′‐Azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt assay) and DPPH (2,2‐diphenyl‐1‐picrylhydrazyl assay). The anticancer effect of RM was evaluated by WST‐1 (4‐[3‐(4‐iodophenyl)‐2‐(4‐nitrophenyl)‐2H‐5‐tetrazolio]‐1,3‐benzene disulfonate), colony formation, wound healing and CDDE (cell death detection Elisa) analysis on A549 lung cancer cells. Enzyme inhibition effects of RM was determined against AChE and α‐glycosidase (AG) enzymes. According to the results of molecular docking found in the study; With a docking score of −4.56 for HP5 protein, −6.23 for BXO protein, −5.25 for AFI protein, −3.90 for gly protein and −7.74 for AChE protein, Telecinobufagin molecule was found to have higher activity than other molecules. After docking calculations, Absorption, Distribution, Metabolism, Excretion and Toxicity (ADME/T) analysis was performed to examine the effects and reactions of molecules on human metabolism. RM inhibited the viability of A549 cells dose‐dependent manner (IC50=117.15±8.58 μg/mL), and it was also observed that RM suppressed colony formation, prevented cell migration and directed the cells to apoptosis. RM has important lipophilic components, and significant antioxidant and enzyme inhibition potential. IC50 values of RM for AChE and AG enzymes were found as 35.86 mg/mL, and 10.14 mg/mL, respectively. In conclusion, the findings of this study reveal that ethanol extract from the aerial part of Rhabdosciadium microcalycinum may be a potential therapeutic agent for the treatment of human lung cancer and Alzheimer's disease, due to its phytochemical components.

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Section: Resultsmentioning

confidence: 99%

Section: Chemistryselect Molecular Docking Calculationmentioning

confidence: 99%

The Evaluation of Anticancer, Antioxidant, Antidiabetic and Anticholinergic Potentials of Endemic Rhabdosciadium microcalycinum Supported by Molecular Docking Study

et al. 2022

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“…Later, the inhibitor with concentrations of 0.5, 1.0, 1.5 and 2.0 mg/L was dispersed in the corrosion test solution for electrochemical studies. Ligand 2,2'-((1Z,1'Z)-(((propane-1,3-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))bis(azanylylidene))diethanol was prepared according to literature method [24].…”

Section: Methodsmentioning

confidence: 99%

Experimental and theoretical investigations of new Schiff base compound adsorption on aluminium in 1 M HCl

Jafari

Ameri

Soltanolkottabi

et al. 2022

J. Electrochem. Sci. Eng.

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The new Schiff base, 2,2'-((1Z,1'Z)-(((propane-1,3-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))bis(azanylylidene))diethanol, was investigated as a corrosion inhibitor of aluminium in 1 M HCl. Polarization and electrochemical impedance measurements were used for this purpose. Polarization curves showed that the compound is a mixed-type corrosion inhibitor. Also, the results showed an increase in inhibition efficiency as the concentration of the compound increased. The maximum corrosion inhibition efficiency of approximately 81 % was reached at the concentration of 2 mg/L of the inhibitor. The results of the density functional theory method were consistent with the experimental results. The surface morphology of the samples was examined under atomic force microscopy.

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“…In detail, the HOMO parameter indicates the electron-donating ability of a compound; the more positive the value, the greater its tendency to donate electrons [55]. Conversely, the LUMO parameter describes the ability to withdraw electrons; the more negative the value, the greater the tendency to accept electrons [79]. The HOMO-LUMO energy gap is another parameter that can be used to explain the reactivity: a small numerical value is usually correlated with a higher reactivity.…”

Section: Computational Studiesmentioning

confidence: 99%

Synthesis, crystal structure, Hirshfeld surface, computational and antibacterial studies of a 9-phenanthrenecarboxaldehyde-based thiodihydropyrimidine derivative

Huseynzada

Mori

Meneghetti

et al. 2022

Journal of Molecular Structure

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Anti-corrosion behavior of 2-((3-(2-morpholino ethylamino) -N3-((pyridine-2-yl)methyl)propylimino)methyl)pyridine and its reduced form on Carbon Steel in Hydrochloric Acid solution: Experimental and theoretical studies

Cited by 30 publications

References 26 publications

The Evaluation of Anticancer, Antioxidant, Antidiabetic and Anticholinergic Potentials of Endemic Rhabdosciadium microcalycinum Supported by Molecular Docking Study

The Evaluation of Anticancer, Antioxidant, Antidiabetic and Anticholinergic Potentials of Endemic Rhabdosciadium microcalycinum Supported by Molecular Docking Study

Experimental and theoretical investigations of new Schiff base compound adsorption on aluminium in 1 M HCl

Synthesis, crystal structure, Hirshfeld surface, computational and antibacterial studies of a 9-phenanthrenecarboxaldehyde-based thiodihydropyrimidine derivative

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