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    A novel approach to prepare a composite of hydroxyapatite with cellulose nanocomposites by novel methods including theoretical studies
    (Nature Portfolio, 2025) Azzaoui, Khalil; Aaddouz, Mohamed; Jodeh, Shehdeh; Hammouti, Belkheir; Hanbali, Ghadir; Sabbahi, Rachid; Kaya, Savas
    This paper presents a novel cheminformatics approach for the design and synthesis of hydroxyapatite/cellulose nanocomposites, which have potential biomedical and environmental applications, removal of dyes. The nanocomposites are synthesized by the co-precipitation method with different ratios of hydroxyapatite and cellulose. Over the past decade, calcium phosphate composites and similar biomaterials have seen commercial use in bone substitution and allograft applications. These biomaterial composites, which include an organic matrix and an inorganic mineral, have been developed. The principal inorganic component is hydroxyapatite, with the organic matrix made of cellulose derived from Esparto STIPA TENACISSIMA TENDRARA which covers the territory of Tendrara, from Eastern-Morocco. The final product received extensive characterization using techniques such as FTIR, XRD, thermal analysis, Morphological studies, XPS, 31P NMR, AFM, SEM, Ligand preparation and Prediction of ADME/Toxicity Properties, with SEM micrographs revealing the product's nanometric size, XRD analysis show that a significant hydrogen bonding interaction between HAp and cellulose may have occurred as the cellulose peak intensity steadily decreased with HAp level. Concurrently, enterprises have been recorded discharging substantial amounts of methylene blue into natural water sources, raising worries about human health and ecosystems. Computational analysis revealed the compound's properties, revealing potential side effects and environmental risks. Toxicity tests have identified considerable hazards, particularly for cardiac problems, necessitating cautious use. Theoretical computations confirmed the composites' high contact strength, particularly when HAp, Ce, and HAp/Ce were deprotonated. These findings are consistent with experimental evidence. Theoretical calculations utilizing Monte Carlo (MC) and Molecular Dynamic (MD) simulation models revealed that the produced foams had an outstanding affinity for methylene blue, as shown by strongly negative adsorption energy values indicating strong interactions with adsorbate surfaces. Based on the calculated chemical hardness values for the adsorbent, adsorbate, and the complex system, it can be inferred that the adsorbent system demonstrates a higher level of hardness in comparison to the adsorbate.
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    Acetylsalicylic acid as an environmentally friendly corrosion inhibitor for carbon steel XC48 in chloride environment
    (Elsevier, 2023) Merimi, Chaimae; Hammouti, Belkheir; Zaidi, Kaoutar; Hafez, Baraa; Elmsellem, Hicham; Touzani, Rachid; Kaya, Savas
    In this study we evaluated the corrosion inhibition potential of an environmentally friendly, cost effective and beneficial compound on carbon steel in an acidic environment.We investigated electrochemical as well as gravimetric measurements for corrosion performance in-hibition of the acetylsalicylic acid ASA molecules used from carbon steel XC48 in HCl 1M solution. The results show that aspirin inhibits the corrosion of carbon steel in acidic environment. It was found that the inhibition efficiency of aspirin increased with increasing inhibitor concentration and decreased with increasing temperature. The maximum inhibition efficiency was 96% with 5 x10 -3 M aspirin at 308 K. The inhibition efficiency increased with increasing concentration of ASA. This inhibitor adsorbs on the metal surface according to the Langmuir model and a physical adsorption mechanism is proposed for the adsorption of the inhibitor on the carbon steel surface, the scanning electron microscopy (SEM), the Thermodynamic and the kinetic parameters were calculated and discussed.(c) 2022 Elsevier B.V. All rights reserved.
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    Iron-ligand complex, an efficient inhibitor of steel corrosion in hydrochloric acid media
    (Elsevier, 2023) Zaidi, Kaoutar; Bouroumane, Nadia; Merimi, Chaimae; Aouiniti, Abdelouahad; Touzani, Rachid; Oussaid, Adyl; Hammouti, Belkheir
    The inhibitor effect of FeSO4(Hdpz) complex prepared from iron (II) sulfate7-hydrate and 1-Hydroxymethyl-3,5-dimethylpyrazole on corrosion of mild steel in 1 M hydrochloric acid (HCl) at 308 K was investigated using measurements of weight loss and electrochemical techniques (impedance spec-troscopy and polarization curves). Inhibition efficiency depends on the concentration of complex [FeSO4 (Hdpz)] and its inhibition efficiency increases with an increase in inhibitor concentration to 98% for 10 -3 M. Polarization curves show that the complex FeSO4(Hdpz) basically functions as a mixed inhibitor. Measurements of electrochemical impedance spectroscopy (EIS) indicate an increase in transfer resistance at the concentration of the inhibitor. In the temperature range of 308 to 348 K, the temperature effect on the corrosion behavior of steel in 1 M HCl without and with the inhibitor at 10 -3 M was studied and the corresponding activation energy was calculated. Adsorption of FeSO4(Hdpz) complex on the mild steel surface in 1 M HCl follows the Langmuir isotherm model. The quantum approach and monte Carlo simulation was confirmed the reactivity of the studied compound towards the corrosion process. (c) 2023 Published by Elsevier B.V.
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    Towards Understanding the Corrosion Inhibition Mechanism of Green Imidazolium-Based Ionic Liquids for Mild Steel Protection in Acidic Environments
    (Universitas Pendidikan Indonesia, 2024) Ech-Chihbi, Elhachmia; El Hajjaji, Fadoua; Titi, Abderrahim; Messali, Mouslim; Kaya, Savas; Serdaroğlu, Goncagül; Hammouti, Belkheir
    Two novel ecological ionic-liquid derivatives based on imidazolium (ILs), namely, 3-(2-ethoxy-2-oxoethyl)-1-phenethyl-1H-imidazol-3-ium-chloride [OE-IM+, Cl-] and 3-(4-ethoxy-4-oxobutyl)-1-phenethyl-1H-imidazol-3-ium-chloride [OB-IM+, Cl-] was studied by Electrochemical Impedance Spectroscopy (EIS), Potentiodynamic Polarization (PP), SEM/EDX analysis and theoretical calculations. It is found that the studied ionic liquids exhibit high inhibition performance for Mild steel (MS) in 1 M HCl. Hence the formation of a barrier layer that retards redox reactions and therefore prevents the corrosion process of MS. Inhibition efficiency for all the compounds increases with their concentration and follows the order [OE-IM+, Cl-] < [OB-IM+, Cl-], indicating effective performance was achieved as the length of the alkyl chain attached to the imidazolium ring extended. Furthermore, DFT and MD simulations were used, revealing the impact of molecular configuration on the anticorrosive properties of these chemicals. © 2024 Tim Pengembang Jurnal UPI.
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    Ultrasound-assisted adsorption of Methyl Parathion using commercial Granular Activated Carbon from aqueous solution
    (Univ Mohammed Premier Oujda, 2021) Kankou, Mohamed Sid'Ahmed; N'diaye, Abdoulaye Demba; Hammouti, Belkheir; Kaya, Savas; Fekhaoui, Mohamed
    The removal of Methyl parathion (MP) by ultrasound-assisted adsorption using commercial Granular Activated Carbon (GAC) was studied. The effect of sonicate time on the adsorption were studied using the batch technique. The adsorption kinetic data were analyzed using the Pseudo First Order (PFO) and Pseudo Second Order (PSO) models. For kinetic study, the adsorption process fitted the PSO model. Three adsorption isotherms namely the Langmuir, Freundlich and Redlich-Peterson isotherms in their nonlinear forms were applied to the adsorption equilibrium data. Both the Langmuir and Redlich-Peterson models were found to fit the adsorption isotherm data well, but the Redlich- Peterson model was better. The monolayer adsorption capacity, q(m), was found to be 20.20 mg g(-1). It can be concluded that the commercial GAC is an efficient adsorbent for the removal of MP from aqueous solution via ultrasound-assisted adsorption. Attempt to explain the reactivity of MP on GAC by theoretical calculations was made.