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• Electrochemical and theoretical behaviors of the carbon steel was investigated in 1 M HCl solution using the Ceratonia Siliqua L seeds (CFE) extract. • This extract was analyzed using GC–MS technique; it was found that the extract contains 18 compounds. • The outcomes show that CFE extract exhibits a worthy anti-corrosion action with an inhibition efficiency (η%) of 95% at 100 mg/L. • The inhibition and adsorption behavior of the main constituents of Ceratonia Siliqua L. seeds extract on iron surface was emphasized using DFT, NBO, MESP and MC studies. Electrochemical and theoretical behaviors of the carbon steel was investigated in 1 M HCl solution using the Ceratonia Siliqua L seeds (CFE) extract. This extract was analyzed using GC–MS technique; it was found that the extract contains 18 compounds on which the main constituents represent 27.78 wt.% vanillin (VN), 25.69 wt.% α-tumerone (AT), 11.68 wt.% 2-heptanal (HP), 9.49 wt.% mome-inositol (MI), 4.94 wt.% 1-dotiacontanol(DT), and 2.92 wt.% linoleic acid (LA). The corrosion inhibition and adsorption (CIA) behavior were investigated using the electrochemical measurements (open circuit potential (OCP), polarization curves (PC) and impedance spectroscopy (IS)), and both thermodynamic and kinetic parameters (ΔH a , ΔS a and Ea). The outcomes show that CFE extract exhibits a worthy anti-corrosion action with an inhibition efficiency (η%) of 95% at 100 mg/l at 298 °K. This result could be attributed probably to the adsorption of CFE extract matrix on carbon steel surface, and this was confirmed by surface visualization using SEM-EDS technique. The adsorption of CFE extract onto carbon steel surface is controlled by a Langmuir adsorption isotherm, which suggests that there are no interactions between molecules of the CFE during adsorption. The computational chemistry calculations by density functional theory (DFT), natural bond orbital (NBO), molecular electrostatic potential surface (MESP) and Metropolis Monte Carlo (MC) methods were performed to better understand the inhibition and adsorption behavior of the main constituents of CFE extract on the Fe (110) surface. [ABSTRACT FROM AUTHOR]

Vitex agnus-castus is a medicinal plant of the Verbenaceae family, widely used in traditional medicine. This study is aimed at investigating the functional variability of phenolic compounds in different parts (leaves, stems, flowers, roots, and seeds) of Vitex agnus-castus methanolic extracts and at assessing their in vitro antidiabetic, antioxidant, and antibacterial activities. The results of HPLC-DAD-QTOF-MS indicated the presence of 25 phenolic compounds with a remarkable variability between plant parts; high levels were registered in chlorogenic, vanillic, 3,4-dihydroxybenzoic, and 3-hydroxybenzoic acids; hesperidin; and luteolin. V. agnus castus fruits and stems presented higher antioxidant activities. The extracts inhibited the growth of five pathogenic bacteria with MIC values documented between 7.81 and 31.25 mg/mL. In vitro antihyperglycemic effect revealed higher effect in flowers (2921.84 μg/mL) and seeds (2992.75 μg/mL) against α-glucosidase and of leaves (2156.80 μg/mL) and roots (2357.30 μg/mL) against α-amylase. The findings of this showed that V. agnus castus is a promising source for antidiabetic bioactive compounds. However, further investigations regarding the evaluation of in vivo antidiabetic effects of these compounds are needed. [ABSTRACT FROM AUTHOR]

The poor corrosion resistance of carbon steel (CS) has long been an urgent challenge to its industrial applications. Green corrosion inhibitors are among the most widely used and economically viable methods to protect metals and alloys against corrosion. In the present work, a new green corrosion inhibitor formulation (CIF) based on Cannabis sativa L. seed oil (noted CSL) was prepared for protecting E24 carbon steel against corrosion in 1.0 mol/L HCl. Experiments were carried out using weight loss (WL), and electrochemical methods at different concentrations of CSL and immersion times. The surface morphology of corroded and inhibited CS was investigated using the scanning electron microscope (SEM), while Density Functional Theory (DFT) and molecular dynamics (MD) simulation were used to assess the reactivity of CSL's components and their interactions with Fe(110) plane. The gas chromatographic analysis of the CSL indicated that the Linoleic acid (C18:2) is the most abundant fatty acid (51.3%), followed by Oleic acid ((C18:1) (20.3%)), α-Linolenic acid (C18:3 (15.7%)) and saturated Palmitic acid (C16:0 (7.9%)). According to WL and electrochemical results, an inhibition efficiency of over 92% was achieved using 1 g/L of CSL, indicating higher corrosion mitigation properties. Electrochemical results revealed that the tested formulation had a mixed-type inhibition effect, with a cathodic predominance. In addition, the charge transfer resistance of the CS electrode increased from 46 Ω cm2 in blank solution to 1115 Ω cm2 in HCl solution inhibited with 1 g/L of CSL and 24 h immersion. SEM images showed the formation of a protective barrier on CS surface, which prevented the corrosion attack. DFT and MD studies showed that CSL's components have excellent donor-acceptor properties and exhibited a close contact with Fe(110) surface upon adsorption. [Display omitted] [ABSTRACT FROM AUTHOR]