Search Results - "Rahali, Seyfeddine"

Computational insights on the adsorption of glycine, methionine, tyrosine and phenylalanine on the zinc oxide nanocluster Zn12O12 by Rahali, Seyfeddine, Damous, Maamar, Belhocine, Youghourta, Sbei, Najoua, Said, Ridha Ben, Diawara, Moussa, Seydou, Mahamadou

“…The current work investigated the interaction of ZnO nanoparticles (NPs) with glycine, tyrosine, methionine and phenylalanine. (ZnO) 12 cage-like cluster was…”
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Structural, electronic, and energetic investigations of acrolein adsorption on B36 borophene nanosheet: a dispersion-corrected DFT insight by Allal, Hamza, Belhocine, Youghourta, Rahali, Seyfeddine, Damous, Maamar, Ammouchi, Nesrine

“…The adsorption of acrolein (AC) onto the surface of B 36 borophene nanosheet was studied using dispersion-corrected density functional theory (DFT). The…”
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Removal of Malachite Green Dye from Aqueous Solution by Catalytic Wet Oxidation Technique Using Ni/Kaolin as Catalyst by Moumen, Abdelhak, Belhocine, Youghourta, Sbei, Najoua, Rahali, Seyfeddine, Ali, Fatima Adam Mohamed, Mechati, Fedia, Hamdaoui, Fouad, Seydou, Mahamadou

“…In this study, natural Algerian kaolin was used as a support and impregnated with nickel at different loading amounts (2 wt.%, 5 wt.%, and 7 wt.%) in order to…”
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A Dispersion Corrected DFT Investigation of the Inclusion Complexation of Dexamethasone with β-Cyclodextrin and Molecular Docking Study of Its Potential Activity against COVID-19 by Belhocine, Youghourta, Rahali, Seyfeddine, Allal, Hamza, Assaba, Ibtissem Meriem, Ghoniem, Monira Galal, Ali, Fatima Adam Mohamed

“…The encapsulation mode of dexamethasone (Dex) into the cavity of β-cyclodextrin (β-CD), as well as its potential as an inhibitor of the COVID-19 main protease,…”
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Highly Selective Polypyrrole MIP-Based Gravimetric and Electrochemical Sensors for Picomolar Detection of Glyphosate by Mazouz, Zouhour, Rahali, Seyfeddine, Fourati, Najla, Zerrouki, Chouki, Aloui, Nadia, Seydou, Mahamadou, Yaakoubi, Nourdin, Chehimi, Mohamed M, Othmane, Ali, Kalfat, Rafik

“…There is a global debate and concern about the use of glyphosate (Gly) as an herbicide. New toxicological studies will determine its use in the future under…”
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DFT-D4 Insight into the Inclusion of Amphetamine and Methamphetamine in Cucurbit[7]uril: Energetic, Structural and Biosensing Properties by Litim, Abdelkarim, Belhocine, Youghourta, Benlecheb, Tahar, Ghoniem, Monira Galal, Kabouche, Zoubir, Ali, Fatima Adam Mohamed, Abdulkhair, Babiker Yagoub, Seydou, Mahamadou, Rahali, Seyfeddine

“…The host-guest interactions of cucurbit[7]uril (CB[7]) as host and amphetamine (AMP), methamphetamine (MET) and their enantiomeric forms (S-form and R-form) as…”
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A DFT investigation of the host–guest interactions between boron-based aromatic systems and β-cyclodextrin by Rahali, Seyfeddine, Belhocine, Youghourta, Allal, Hamza, Bouhadiba, Abdelaziz, Assaba, Ibtissem Meriem, Seydou, Mahamadou

“…Density functional theory calculations including dispersion at BLYP-D3(BJ)/def2-SVP level of theory were performed for a series of systems based on…”
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Highly Selective Removal of Cationic Dyes from Wastewater by MgO Nanorods by Ghoniem, Monira Galal, Ali, Fatima Adam Mohamed, Abdulkhair, Babiker Yagoub, Elamin, Mohamed Rahmt Allah, Alqahtani, Arwa Mofareh, Rahali, Seyfeddine, Ben Aissa, Mohamed Ali

“…The organic synthetic dyes employed in industries are carcinogenic and harmful. Dyes must be removed from wastewater to limit or eliminate their presence…”
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Uptake of BF Dye from the Aqueous Phase by CaO-g-C3N4 Nanosorbent: Construction, Descriptions, and Recyclability by Said, Ridha Ben, Rahali, Seyfeddine, Ben Aissa, Mohamed Ali, Albadri, Abuzar, Modwi, Abueliz

“…Removing organic dyes from contaminated wastewater resulting from industrial effluents with a cost-effective approach addresses a major global challenge. The…”
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Green and Fast Extraction of Chitin from Waste Shrimp Shells: Characterization and Application in the Removal of Congo Red Dye by Gharbi, Fatma Zohra, Bougdah, Nabil, Belhocine, Youghourta, Sbei, Najoua, Rahali, Seyfeddine, Damous, Maamar, Seydou, Mahamadou

“…Due to their detrimental and carcinogenic effects, synthetic organic dyes pose significant environmental and health risks. Consequently, addressing the…”
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DFT Investigation on the Complexation of β-Cyclodextrin and Hydroxypropyl-β-Cyclodextrin as Recognition Hosts with Trichloroethylene by Benmerabet, Ahlem, Bouhadiba, Abdelaziz, Belhocine, Youghourta, Rahali, Seyfeddine, Sbei, Najoua, Seydou, Mahamadou, Boucheriha, Ihsene, Omeiri, Imane, Assaba, Ibtissem Meriem

“…In this investigation, the potential use of native β-cyclodextrin (β-CD) and hydroxypropyl-β-cyclodextrin (HP-β-CD) as encapsulating agents for…”
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Chitosan and Metal Oxide Functionalized Chitosan as Efficient Sensors for Lead (II) Detection in Wastewater by Boultif, Walid, Dehchar, Charif, Belhocine, Youghourta, Zouaoui, Emna, Rahali, Seyfeddine, Zouari, Salah Eddine, Sbei, Najoua, Seydou, Mahamadou

“…The work presented in this paper describes the preparation and the electrochemical application of functionalized chitosan-entrapped carbon paste electrodes…”
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Synthesis of Two Novel Copper (II) Complexes as Potential Inhibitors of HIV-1 Protease Enzyme: Experimental and Theoretical Investigations by Hamlaoui, Meriem, Hamlaoui, Ikram, Damous, Maamar, Belhocine, Youghourta, Sbei, Najoua, Ali, Fatima Adam Mohamed, Alghamdi, Mashael A, Talab, Sarra, Rahali, Seyfeddine, Merazig, Hocine

“…In this study, we report the synthesis of two new copper complexes: [Cu(C11H7O2)(SCN)(C10H8N2)], denoted as (C-1), and [Cu(C11H7O2) (C12H8N2) Cl]·H2O, denoted…”
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In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r2SCAN-3c of the Key Factors Influencing the Host-Guest Interactions by Messiad, Fatine Ali, Ammouchi, Nesrine, Belhocine, Youghourta, Alhussain, Hanan, Ghoniem, Monira Galal, Said, Ridha Ben, Ali, Fatima Adam Mohamed, Rahali, Seyfeddine

“…Sulfur mustard (SM) is a harmful warfare agent that poses a serious threat to human health and the environment. Thus, the design of porous materials capable of…”
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In Vitro and In Silico Studies of the Antimicrobial Activity of Prenylated Phenylpropanoids of Green Propolis and Their Derivatives against Oral Bacteria by Vieira, Tatiana M, Barco, Julia G, de Souza, Sara L, Santos, Anna L O, Daoud, Ismail, Rahali, Seyfeddine, Amdouni, Noureddine, Bastos, Jairo K, Martins, Carlos H G, Ben Said, Ridha, Crotti, Antônio E M

“…Artepillin C, drupanin, and plicatin B are prenylated phenylpropanoids that naturally occur in Brazilian green propolis. In this study, these compounds and…”
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Design of Surface Acoustic Wave Sensors Functionalized with Bisphenol S Based Molecules for Lead Ions Detection by Attia, Ghada, Khaldi, Zineb, Rahali, Seyfeddine, Fourati, Najla, Zerrouki, Chouki, Zerrouki, Rachida, Seydou, Mahamadou, Yaakoubi, Nourdin, Chaâbane, Rafik Ben

“…This study concerns the design of surface acoustic wave sensors functionalized with bisphenol S based molecules for lead ions detection. (4-hydroxyphenyl,…”
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Adsorption Behavior of Congo Red onto Barium-Doped ZnO Nanoparticles: Correlation between Experimental Results and DFT Calculations by Rahali, Seyfeddine, Ben Aissa, Mohamed Ali, Khezami, Lotfi, Elamin, Nuha, Seydou, Mahamadou, Modwi, Abueliz

“…Ba-loaded ZnO nanoparticles (Ba/ZnO) were obtained by the co-precipitation process and employed as a sorbent for Congo Red (C32H22N6Na2O6S2) dye (CR)…”
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Inclusion complexation of chloroquine with α and β-cyclodextrin: Theoretical insights from the new B97-3c composite method by Assaba, Ibtissem Meriem, Rahali, Seyfeddine, Belhocine, Youghourta, Allal, Hamza

“…•Inclusion of chloroquine in α- and β-cyclodextrin was studied computationally.•The tendency to form an inclusion complex with chloroquine is higher for…”
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Adsorption behavior of barium ions onto ZnO surfaces: Experiments associated with DFT calculations by Abdulkhair, Babiker, Salih, Mutaz, Modwi, Abueliz, Adam, Fatima, Elamin, Nuha, Seydou, Mahamadou, Rahali, Seyfeddine

“…•The ZnO nanoparticles were fabricated through a green method via arabinose solution.•ZnO nanoparticles exhibited a rapid adsorption rate (55 minutes…”
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CO2 Capture by Diamines in Dry and Humid Conditions: A Theoretical Approach by Said, Ridha Ben, Rahali, Seyfeddine, Yan, Chuanyu, Seydou, Mahamadou, Tangour, Bahoueddine, Sayari, Abdelhamid

“…This work is a mechanistic study of the CO2 reaction with diamines under both dry and wet conditions. All protic α,ω-diamines R1H1N1-(CH2) n -N2H2R2, with n =…”
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