Experimental Investigation and Theoretical Modeling of Copper Corrosion Inhibition by Urginea maritima Essential Oil

Materials Today Sustainability, Год журнала: 2024, Номер 27, С. 100906 - 100906

Опубликована: Июль 11, 2024

Язык: Английский

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Study on the Corrosion Inhibition of E24 Steel in Acidic Medium by 1,4-benzoxazine Derivatives: An Approach Combining Chemistry, Electrochemistry, and Theoretical Modeling

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141545 - 141545

Опубликована: Янв. 1, 2025

Язык: Английский

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Synthesis of novel thiazole derivatives and their assessment as efficient corrosion inhibitors on mild steel in acidic medium

Progress in Organic Coatings, Год журнала: 2025, Номер 203, С. 109156 - 109156

Опубликована: Фев. 25, 2025

Язык: Английский

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Design of novel dibenzalacetone-based organic inhibitor responsible for excellent corrosion performance: Electrochemical response and theoretical exploration

Inorganic Chemistry Communications, Год журнала: 2025, Номер 176, С. 114236 - 114236

Опубликована: Март 5, 2025

Язык: Английский

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Synthesis, characterization, theoretical, and evaluation of eco-friendly phenytoin-based corrosion inhibitors for mild steel

Colloids and Surfaces A Physicochemical and Engineering Aspects, Год журнала: 2024, Номер unknown, С. 135816 - 135816

Опубликована: Ноя. 1, 2024

Язык: Английский

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Inhibition of carbohydrate digestive enzymes by a complementary essential oil blend: in silico and mixture design approaches

Frontiers in Pharmacology, Год журнала: 2025, Номер 16

Опубликована: Март 10, 2025

Background The increasing demand for natural alternatives in diabetes treatment has driven research into plant-derived metabolites, particularly essential oils (EOs) with bioactive properties. This study aims to optimize an EO mixture inhibiting two key enzymes involved glucose digestion: pancreatic α-amylase and intestinal α-glucosidase. Methods Essential were extracted from three Moroccan medicinal plants: false yellowhead ( Inula viscosa L.), rose geranium Pelargonium graveolens L'Hér.), lemongrass Cymbopogon citratus (DC.) Stapf.). Gas chromatography-mass spectrometry (GC-MS) analysis identified metabolites each EO. A statistical design was employed evaluate different ratios their inhibitory effects on Additionally, density functional theory (DFT) calculations molecular docking simulations conducted assess the metabolites' electronic properties interaction potential target enzymes. Results GC-MS 32 P . , citronellol (18.67%), eucalyptol (13.30%), 2-octen-1-ol (8.12%) as major components. I contained 18 dominated by 2-camphanol acetate (51.12%) camphol (19.32%), while C. had 23 α-citral (24.70%) 2-isopropenyl-5-methylhex-4-enal (29.25%) constituents. optimal formulation α-glucosidase inhibition a binary of 73% 27% P. In contrast, best blend consisted 56% 44% I. DFT confirmed electrophilic nature supporting enzyme interaction. Molecular suggested that these phytochemicals could exhibit stronger than acarbose, widely used antidiabetic drug. Conclusion These findings highlight optimized formulations managing hyperglycemia developing novel therapies.

Язык: Английский

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A comparative density functional theory (DFT) and molecular dynamics study on Natamycin and Cefmetazole as effective corrosion inhibitor for mild steel: Electronic properties and adsorption behavior

Computational and Theoretical Chemistry, Год журнала: 2025, Номер unknown, С. 115200 - 115200

Опубликована: Март 1, 2025

Язык: Английский

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Dicationic Ionic Liquids Derivatives for Advanced Corrosion Protection of N80 Carbon Steel: Electrochemical, Computational and Raman Spectroscopic Studies

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142240 - 142240

Опубликована: Март 1, 2025

Язык: Английский

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Advanced synthesis and multifaceted characterization of a 4,4-diaminodiphenylmethane-melamine-formaldehyde terpolymer: anti-corrosion performance and antimicrobial potential in 1 M hydrochloric acid

RSC Advances, Год журнала: 2025, Номер 15(14), С. 11098 - 11114

Опубликована: Янв. 1, 2025

Herein, a 4,4-diaminodiphenylmethane-melamine-formaldehyde (DMF) terpolymer was synthesized and characterized to investigate its anti-corrosion properties for mild steel in 1 M hydrochloric acid electrolyte.

Язык: Английский

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Cheminformatics-based design and biomedical applications of a new Hydroxyphenylcalix[4] resorcinarene as anti-cancer agent

Scientific Reports, Год журнала: 2024, Номер 14(1)

Опубликована: Дек. 13, 2024

Abstract The distinct conformational characteristics, functionality, affordability, low toxicity, and usefulness make calixarene-based compounds a promising treatment option for cancer. aim of the present study is to synthesize new compound assess its anticancer potential on some human cancer cells. synthesized C-4-Hydroxyphenylcalix[4] resorcinarene ( HPCR ) was characterized by several spectroscopic techniques such as 1HNMR, 13CNMR, X-ray crystallographic analysis confirm purity identity. IC 50 values were identified cell lines (U-87, MCF-7, A549) dermal fibroblasts line (HDF) after with standard drug Cisplatin. A significant selective growth inhibitory activity against U-87 A549 obtained at an concentration 100 μM. MOE docking module (version 2015) utilized extent inhibition four cancer-related proteins (3RJ3, 7AXD, 6DUK, 1CGL).

Язык: Английский

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