Search Results - "Kirouani, Imene"

Effect of the bifunctionalization of aminomethylphosphonic acid on the structural, electronic, vibrational, thermodynamic and antioxidant activity: Microwave-assisted synthesis, Density Functional Theory studies and DPPH radical scavenging activity by Bouamrane, Omar Larbi, Hellal, Abdelkader, Hachama, Kamel, Touafri, Lasnouni, Haddadi, Ines, Layaida, Houdheifa, Kirouani, Imene, Hassani, Abdelkader, Mersellem, Mohamed, Madani, Abdelghani, Bensouici, Chawki

“…•Synthesis of α-aminotrismethylphosphonic acid from (Aminomethyl)phosphonic acid under microwave irradiation.•The possible optimized geometric structures of…”
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Microwave-assisted synthesis, DFT theoretical study and biological activities evaluation of two phosphonylated m-toluidine derivatives by Haddadi, Ines, Hellal, Abdelkader, Kirouani, Imene, Layaida, Houdheifa, Bensouici, Chawki

“…•Synthesis by an easy and efficient microwave-assisted method two phosphonylated molecules; α-aminophosphonic acid (MTA) α-aminophosphonate ester (MTE) from…”
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Synthesis, characterization, DFT, antioxidant, antibacterial, pharmacokinetics and inhibition of SARS-CoV-2 main protease of some heterocyclic hydrazones by Adjissi, Lilia, Chafai, Nadjib, Benbouguerra, Khalissa, Kirouani, Imene, Hellal, Abdelkader, Layaida, Houdheifa, Elkolli, Meriem, Bensouici, Chawki, Chafaa, Salah

“…•Three heterocyclic hydrazones were synthesized and characterized.•Structural and spectral analyses of the synthesized hydrazones were performed.•DFT method at…”
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Phosphonylated p-aminophenol derivatives: Microwave Assisted Synthesis, Density Functional Theory study and biological activities evaluation by Kirouani, Imene, Hellal, Abdelkader, Madani, Abdelghani, Layaida, Houdheifa, Haddadi, Ines, Bouchama, Anis, Chafai, Nadjib

“…•Synthesis of three α-aminophosphonates from p-aminophenol, under MW conditions•The three molecules were theatrically studied by DFT/B3LYP/6-31g++(d,p).•HOMO…”
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New aromatic hydrazones: Synthesis, structural analysis, DFT study, biological activity, ADME-T properties and in silico evaluation of their inhibition of SAS-CoV-2 main protease by Adjissi, Lilia, Chafai, Nadjib, Benbouguerra, Khalissa, Kirouani, Imene, Hellal, Abdelkader, Layaida, Houdheifa, Elkolli, Meriem, Bensouici, Chawki, Chafaa, Salah

“…•Three aromatic hydrazones were prepared and characterized.•Spectral and structural properties of the prepared derivatives were studied.•Experimental results…”
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Synthesis, spectroscopic characterization, density functional theory study, antimicrobial and antioxidant activities of curcumin and alanine-curcumin Schiff base by Layaida, Houdheifa, Hellal, Abdelkader, Chafai, Nadjib, Haddadi, Ines, Imene, Kirouani, Anis, Bouchama, Mouna, ElKolli, Bensouici, Chawki, Sobhi, Widad, Attoui, Ayoub, Lilia, Adjissi

“…In this work, a novel Schiff-base derived from curcumin and L-Alanine was synthesized under microwave conditions in excellent yield. The structural…”
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Efficient one-pot synthesis, characterization and  DFT study of solvents polarity effects on the structural, energetic and thermodynamic proprieties of (a-methylamino-ethyl)-phosphonic acid dimethyl ester by Abdelkader, Hellal, Farouk, Zaidi, Mohamed, Mersellem, Abdelghani, Madani, Houdheifa, Layaida, Imene, Kirouani, Ines, Haddadi, Anis, Bouchama, Nadjib, Chafai, Meriem, Hamoudi, Souad, Rechidi, Lasnouni, Touafri, Omar, Larbi Bouamran

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Effect of the phosphonomethylene moiety on the structural, vibrational, energetic, thermodynamic and optical proprieties of ((Phenylcarbamoylmethyl-phosphonomethyl-amino)-methyl)-phosphonic acid: DFT investigation by Kirouani, Imene, Hellal, Abdelkader, Haddadi, Ines, Layaida, Houdheifa, Madani, Abdelghani, Madani, Salim, Haroun, Mohamed Fahim, Rachida, Djebaili, Touafri, Lasnouni, Bensouici, Chawki

“…An efficient method has been developed for the synthesis of ((Phenylcarbamoylmethyl-phosphonomethyl-amino)-methyl)-phosphonic acid (PCMPA) under solvent free…”
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