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  1. Article ; Online: Efficacy of hydrotalcite Mg-Al membrane based on ghassoul and olive stone in the removal of polyphenols from olive mill wastewater

    Safae Allaoui / Hamid Ziyat / Marwa Alaqarbeh / Fatima Boukhlifi / Najib Tijani / Mohammed Naciri Bennani

    Arabian Journal of Chemistry, Vol 17, Iss 1, Pp 105381- (2024)

    1481  

    Abstract: The current study aims to fabricate a Hydrotalcite Mg-Al membrane (HT-Gh-OS3) based on Ghassoul and olive stone composite as a microfilter to remove of polyphenols from olive mill wastewater. Also, the results and efficiency of HT-Gh-OS3 membrane was ... ...

    Abstract The current study aims to fabricate a Hydrotalcite Mg-Al membrane (HT-Gh-OS3) based on Ghassoul and olive stone composite as a microfilter to remove of polyphenols from olive mill wastewater. Also, the results and efficiency of HT-Gh-OS3 membrane was compared with HT-Gh-AC3 membrane used in our previous study where Gh=Ghassoul, OS=olive stone, AC=activated carbon, number 3 relating to the percentage of AC or OS, and HT=Hydrotalcite type MgAlCO3. The hydrotalcite was deposited on the ceramic supports ‘Ghassoul’ and characterized by Fourier Transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and Scanning electron microscopy coupled with Energy-dispersive X-ray spectroscopy (SEM/EDX). The diluted OMW with water 40 %, 60 %, and 80 % contains 60 mg/L, 40 mg/L, and 30 mg/L concentrations of polyphenols respectively, which used in the filtration process by the new membrane. The results showed that the olive stone membrane has good porosity and reduced polyphenols by 74 % compared to 61 % by commercial activated carbon membrane. The macroporous structure of olive stones enhances the porosity of the support during sintering, resulting in a higher membrane porosity and better polyphenol reduction. The Hydrotalcite membrane based on the natural material (Ghassoul clay and olive stone) give a good retention of polyphenols of OMWW than the membrane with activated carbon.
    Keywords Olive mill wastewater ; Membrane ; Hydrotalcite ; Ghassoul ; Olive stone ; Activated Carbon ; Chemistry ; QD1-999
    Subject code 571
    Language English
    Publishing date 2024-01-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents

    Said El Rhabori / Marwa Alaqarbeh / Abdellah El Aissouq / Mohammed Bouachrine / Samir Chtita / Fouad Khalil

    Chemical Physics Impact, Vol 8, Iss , Pp 100455- (2024)

    2024  

    Abstract: Breast cancer is the most frequent form of malignant tumor in women, and represents a major public health problem due to its high mortality rate. Although a multitude of therapeutic options exist for control of this disease, the emergence of resistance ... ...

    Abstract Breast cancer is the most frequent form of malignant tumor in women, and represents a major public health problem due to its high mortality rate. Although a multitude of therapeutic options exist for control of this disease, the emergence of resistance to current pharmaceutical treatments underscores the urgency of developing new anti- breast cancer drugs, with a focus on reducing the adverse effects associated with current therapeutic agents. The present study concerns a new series of (23) compounds based on 1,4-quinone and quinoline derivatives to design candidate drugs against breast cancer. For this purpose, integrated computational techniques were applied, including 3D-QSAR, molecular docking and molecular dynamics simulations (MD). CoMFA and CoMSIA were used to build a robust and highly reliable 3D-QSAR models. To validate the model's predictive capabilities, an external validation was carried out. The results of the best model (CoMSIA/SEA) revealed that electrostatic, steric and hydrogen bond acceptor fields had a significant effect on the anti-breast cancer activity of molecules studied. In addition, evaluation of ADMET properties determined whether these newly designed ligands were likely to be selected as drug-candidates. To confirm the binding stability of the selected ligands to aromatase (3S7S) and validate the molecular docking results, molecular dynamics simulations lasting 100 nanoseconds were performed by calculating RMSD, RMSF, RoG, H-bond, SASA and MM-PBSA parameters. As a result, only one designed compound (ligand 5) emerged as the most promising drug candidate for experimental in vitro and in vivo testing, due to its potential inhibition of breast cancer.
    Keywords Breast cancer ; Qsar ; Molecular docking ; Molecular Dynamic ; ADMET ; Physics ; QC1-999 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2024-06-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Effect of interlayer anions on the catalytic activity of Mg-Al layered double hydroxides for furfural and acetone aldol condensation reaction

    Said Arhzaf / Jamal Houssaini / Mohammed Naciri Bennani / Marwa Alaqarbeh / Mohammed Bouachrine

    Arabian Journal of Chemistry, Vol 17, Iss 1, Pp 105412- (2024)

    1481  

    Abstract: The aldol condensation reaction between furfural (F) and acetone (A), which typically produces 4-(2-Furyl)-3-buten-2-one (FA), is a critical reaction due to the application of the final product as a flavoring agent in various food items. Traditionally, ... ...

    Abstract The aldol condensation reaction between furfural (F) and acetone (A), which typically produces 4-(2-Furyl)-3-buten-2-one (FA), is a critical reaction due to the application of the final product as a flavoring agent in various food items. Traditionally, this reaction is catalyzed by liquid-based catalysts. However, homogeneous liquid-base catalysis often leads to environmental damage. Solid-base catalysis is highly desirable to address the environmental issue due to liquid-base catalysis as it reduces the need for excessive solvents and reagents, thus preserving the environment. In this study, a series of Mg-Al hydrotalcites (HT) intercalated with nitrate ion (HT-NO3), carbonate ion (HT-CO3), or acetate ion (HT-CH3COO) were prepared using three different coprecipitation procedures. Upon calcination at 450 °C, the solids were transformed into mixed metal oxides. Among the calcined hydrotalcites, the catalysts with acetate anion (cHT-CH3COO) or carbonate anion (cHT-CO3) exhibited the highest basicity and thus showed superior catalytic activity for the aldol condensation reaction. Optimal conversion and selectivity were achieved at 90 °C for 2 h using the most basic catalysts (cHT-CO3 and cHT-CH3COO). These catalysts yielded over 98 % conversion with FA selectivity of 76 % for cHT-CO3 and 65 % for cHT-CH3COO, respectively. Notably, the catalyst cHT-CH3COO exhibited higher selectivity towards F2A (32 %) than the cHT-CO3 catalyst (18 %). The effect of interlayer anions on the structural properties of the Mg-Al hydrotalcites was analyzed using X-ray diffraction. Fourier-transform infrared spectroscopy (FT-IR) was employed to investigate the interactions corresponding to different types of anions. The specific surface area and pore volume of the calcined Mg-Al hydrotalcites were determined using nitrogen adsorption (BET), while their total basicity was evaluated through acid-base titration. The reaction kinetics were monitored using gas chromatography.
    Keywords Mg-Al Hydrotalcite ; Mixed metal oxides ; Aldol condensation ; Furfural ; Acetone ; Chemistry ; QD1-999
    Subject code 540 ; 660
    Language English
    Publishing date 2024-01-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: Effect of microwave method on jasminaldehyde synthesis using solvent-free over Mg–Al–NO3 hydrotalcite catalyst

    Jamal Houssaini / Mohammed Naciri Bennani / Said Arhzaf / Hamid Ziyat / Marwa Alaqarbeh

    Arabian Journal of Chemistry, Vol 16, Iss 12, Pp 105316- (2023)

    2023  

    Abstract: Jasminaldehyde is a widely used starting material in the chemical industry. One method for synthesizing jasminaldehyde is through the aldol condensation of benzaldehyde with 1–heptanal, using a heterogeneous catalyst called hydrotalcite Mg–Al–NO3. The ... ...

    Abstract Jasminaldehyde is a widely used starting material in the chemical industry. One method for synthesizing jasminaldehyde is through the aldol condensation of benzaldehyde with 1–heptanal, using a heterogeneous catalyst called hydrotalcite Mg–Al–NO3. The synthesized catalyst was characterized using various techniques, including XRD, FT–IR, TGA, DTA, SEM, EDX, and N2 adsorption–desorption isotherm (BET) to determine its structure, morphology, thermal stability, and properties. This catalyst was tested in the studied reaction under solvent-free conditions, using both microwave and conventional heating methods (in an oil bath) to evaluate the efficiency of each method in producing jasminaldehyde. The results showed that the use of microwave heating in this reaction is particularly advantageous. It allowed for the highest conversion (>99%) of 1–heptanal, with a good selectivity (80%) towards jasminaldehyde, after only 50 min of reaction time. In contrast, conventional heating required a longer reaction time of about 8 h to achieve similar conversion and selectivity values. Furthermore, Mg–Al–NO3 demonstrated nearly sustained activity in three consecutive reuse experiments, and the durability of this catalyst was characterized using several techniques.
    Keywords Microwave ; Conventional Heating ; Aldol–condensation ; Mg–Al–NO3 Catalyst ; Jasminaldehyde ; Chemistry ; QD1-999
    Subject code 660
    Language English
    Publishing date 2023-12-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  5. Article ; Online: Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (MPro)

    Khalil EL Khatabi / Ilham Aanouz / Marwa Alaqarbeh / Mohammed Aziz Ajana / Tahar Lakhlifi / Mohammed Bouachrine

    BioImpacts, Vol 12, Iss 2, Pp 107-

    2022  Volume 113

    Abstract: Introduction: The new species of coronaviruses (CoVs), SARS-CoV-2, was reported as responsible for an outbreak of respiratory disease. Scientists and researchers are endeavoring to develop new approaches for the effective treatment against of the COVID- ... ...

    Abstract Introduction: The new species of coronaviruses (CoVs), SARS-CoV-2, was reported as responsible for an outbreak of respiratory disease. Scientists and researchers are endeavoring to develop new approaches for the effective treatment against of the COVID-19 disease. There are no finally targeted antiviral agents able to inhibit the SARS-CoV-2 at present. Therefore, it is of interest to investigate the potential uses of levamisole derivatives, which are reported to be antiviral agents targeting the influenza virus. Methods: In the present study, 12 selected levamisole derivatives containing imidazo[2,1-b]thiazole were subjected to molecular docking in order to explore the binding mechanisms between these derivatives and the SARS-CoV-2 Mpro (PDB: 7BQY). The levamisole derivatives were evaluated for in silico ADMET properties for wet-lab applicability. Further, the stability of the best-docked complex was checked using molecular dynamics (MD) simulation at 20 ns. Results: Levamisole derivatives and especially molecule N°6 showed more promising docking results, presenting favorable binding interactions as well as better docking energy compared to chloroquine and mefloquine. The results of ADMET prediction and MD simulation support the potential of the molecule N°6 to be further developed as a novel inhibitor able to stop the newly emerged SARS-CoV-2. Conclusion: This research provided an effective first line in the rapid discovery of drug leads against the novel CoV (SARS-CoV-2).
    Keywords covid-19 ; sars-cov-2 ; levamisole ; molecular docking ; molecular dynamics simulation ; in silico admet ; Medicine (General) ; R5-920 ; Biology (General) ; QH301-705.5
    Subject code 540
    Language English
    Publishing date 2022-02-01T00:00:00Z
    Publisher Tabriz University of Medical Sciences
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Article ; Online: Solvent-free synthesis of jasminaldehyde over chitosan–layered double hydroxide catalyst assisted by microwave irradiation

    Jamal Houssaini / Mohammed Naciri Bennani / Said Arhzaf / Chadia Mounir / Marwa Alaqarbeh / Hammou Ahlafi / Abdellatif Amhoud

    Arabian Journal of Chemistry, Vol 16, Iss 12, Pp 105326- (2023)

    2023  

    Abstract: This research paper reports on the use of chitosan-modified layered double hydroxide (LDH) composite catalysts (CS/MgAl–NO3) for the synthesis of jasminaldehyde under microwave irradiation. The catalysts were prepared by co-precipitation in an inert ... ...

    Abstract This research paper reports on the use of chitosan-modified layered double hydroxide (LDH) composite catalysts (CS/MgAl–NO3) for the synthesis of jasminaldehyde under microwave irradiation. The catalysts were prepared by co-precipitation in an inert nitrogen atmosphere. The resulting samples were characterized by mean of X–ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric/differential thermal analysis (TGA/DTA), scanning electron microscope (SEM) with energy-dispersive X–ray (EDX), and N2 adsorption/desorption isotherm (BET) analysis. The basicity of each catalyst was determined by the acid-base titration method. The performance of the catalysts was evaluated in the solvent-free synthesis of jasminaldehyde from aldol by condensation reaction between benzaldehyde and 1–heptanal in a microwave oven at P = 100 W and T = 90 °C. The effects of different parameters that are involved in the reaction, such as the catalyst amount and the benzaldehyde to 1–heptanal molar ratio, and reaction temperature, are investigated in detail. The results showed that the CS-functionalization of the catalyst leads to the enhancement of its basic sites making it more efficient than the naked MgAl–NO3 catalyst, in terms of the initial reaction rate, the conversion of the reactants and the selectivity toward the jasminaldehyde. The CS/MgAl–NO3 catalyst was also evaluated in successive regeneration reaction cycles.
    Keywords Chitosan ; Layered double hydroxide ; Microwave irradiation ; Catalytic activity ; Aldol condensation ; Jasminaldehyde ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2023-12-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: Facile synthesis of ZnO/CuO/Eu heterostructure photocatalyst for the degradation of industrial effluent

    J.P. Shubha / B. Roopashree / R.C. Patil / Mujeeb Khan / Mohammed Rafi Shaik / Marwa Alaqarbeh / Abdulrahman Alwarthan / Abdulnasser Mahmoud Karami / Syed Farooq Adil

    Arabian Journal of Chemistry, Vol 16, Iss 3, Pp 104547- (2023)

    2023  

    Abstract: Zinc oxide-based ternary heterostructure ZnO/CuO/Eu(1%, 3%, and 5% of Eu) nanoparticles were effectively produced by employing Vigna unguiculata (cowpea)waste skin extract as fuel in a simple one-pot combustion process. The as-synthesized heterostructure ...

    Abstract Zinc oxide-based ternary heterostructure ZnO/CuO/Eu(1%, 3%, and 5% of Eu) nanoparticles were effectively produced by employing Vigna unguiculata (cowpea)waste skin extract as fuel in a simple one-pot combustion process. The as-synthesized heterostructure was analyzed by X-ray diffraction studies, ultraviolet-visible spectroscopy, Fourier Transform Infrared Spectroscopy, Field Emission Scanning Electron Microscopy, and High-Resolution Transmission Electron Microscopy techniques. Besides, the photocatalytic degradation efficiency of the as-obtained ternary nanocomposite was evaluated under UV light for the degradation of model organic pollutants including methylene blue (MB), Rhodamine-B (RB), and an effluent sample collected from the textile industrial waste. During this study, the effect of a variety of parameters on the photodegradation activity of the photocatalysts has been thoroughly evaluated, such as light source, catalyst dose, irradiation period, dye concentration, solution pH, etc. Under UV irradiation(100 mins), the ternary ZnO/CuO/Eu photocatalyst demonstrated excellent degradation activity of ∼99 and ∼93% for MB and RB, respectively, while for the industrial effluent, a decent degradation activity of 42% has been recorded. Further experiments have revealed a pH and concentration-dependent photocatalytic behavior of the heterostructure photocatalyst. Therefore, the results suggest that the heterostructure photocatalyst can be potentially applied for wastewater treatment and other environmental applications.
    Keywords Ternary heterostructure ; ZnO/CuO/Eu ; Photocatalyst ; Methylene blue ; Rhodamine-B ; UV irradiation ; dye degradation ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2023-03-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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