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Abdallah Imjjad

ORCID: 0000-0003-2252-561X
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A5039156370
Research Areas
  • Organic Chemistry Cycloaddition Reactions
  • Free Radicals and Antioxidants
  • Corrosion Behavior and Inhibition
  • Concrete Corrosion and Durability
  • Hydrogen embrittlement and corrosion behaviors in metals
  • Advanced Chemical Physics Studies
  • Photochemistry and Electron Transfer Studies
  • Bioactive Compounds and Antitumor Agents
  • Synthesis and biological activity
  • Molecular Junctions and Nanostructures
  • Synthesis and Characterization of Pyrroles

Université Ibn Zohr
 2021-2024

 In silico anticancer activity of isoxazolidine and isoxazolines derivatives: DFT study, ADMET prediction, and molecular docking
OPENALEX - Publications 
Moulay Driss Mellaoui Khadija Zaki Khalid Abbiche Abdallah Imjjad Rachid Boutiddar and 5 more Abdelouahid Sbai Aaziz Jmiai S. El Issami Al Mokhtar Lamsabhi Hanane Zejli

10.1016/j.molstruc.2024.138330 article EN cc-by Journal of Molecular Structure 2024-04-12
 Corrosion inhibition of mild steel by aminobenzoic acid isomers in hydrochloric acid solution: Efficiency and adsorption mechanisms
OPENALEX - Publications 
Abdallah Imjjad Khalid Abbiche Moulay Driss Mellaoui Aaziz Jmiai Noureddine El Baraka and 6 more Abdelaziz Ait Taleb Illyass Bazzi S. El Issami Mustapha Hilali Ridha Ben Said M. Hochlaf

10.1016/j.apsusc.2021.151780 article EN Applied Surface Science 2021-11-02
 Unveiling the mechanism and selectivity of the [3 + 2] cycloaddition reactions of nitrone with acetylene derivatives leading to anticancer 4-isoxazoline derivatives from the MEDT perspective
OPENALEX - Publications 
Moulay Driss Mellaoui Khalid Abbiche Nivedita Acharjee Haydar Mohammad-Salim Abdallah Imjjad and 4 more Rachid Boutiddar Khadija Marakchi S. El Issami Hanane Zejli

10.1016/j.comptc.2024.114619 article EN Computational and Theoretical Chemistry 2024-04-30
 Computational investigation on [2π + 4π] cycloaddition mechanisms of buta-1,3-diene derivatives with sulfur dioxide: DFT and in silico study
OPENALEX - Publications 
Moulay Driss Mellaoui Alejandro Morales‐Bayuelo Abdallah Imjjad Haydar Mohammad-Salim Zainab M. Almarhoon and 6 more Khalid Abbiche Aaziz Jmiai S. El Issami Hanane Zejli Mohammad Shahidul Islam Mahboob Alam

10.1007/s11224-025-02466-x article EN Structural Chemistry 2025-01-29
 Unveiling the mechanism, selectivity, solvent and temperature effects on the [3 + 2] cycloaddition reaction of N-methyl-C-(2-furyl) nitrone with maleimide derivatives from the molecular electron density theory perspective
OPENALEX - Publications 
Moulay Driss Mellaoui Nivedita Acharjee Abdallah Imjjad Jamal Koubachi Abdellatif El Hammadi and 5 more Hassan Bourzi S. El Issami Hanane Zejli M. Hochlaf Khalid Abbiche

10.1007/s00214-023-02972-3 article EN Theoretical Chemistry Accounts 2023-03-30
 Exploring the Corrosion Potential of Three Bio-Based Furan Derivatives on Mild Steel in Aqueous HCl Solution: An Experimental Inquiry Enhanced by Theoretical Analysis
OPENALEX - Publications 
Bouchra Balkard Rémi Nguyen Moulay Driss Mellaoui Abdallah Imjjad Rachid Oukhrib and 2 more Christophe Len Hanane Zejli

This research deals with the corrosion inhibition of mild steel in a highly corrosive aqueous HCl medium concentration 0.5 M, using three different inhibitors: furan-2-carboxylic acid (

10.1021/acsomega.4c06670 article EN cc-by-nc-nd ACS Omega 2024-10-01
 Insights into the mechanism of [3+2] cycloaddition reactions between N‐benzyl fluoro nitrone and maleimides, its selectivity and solvent effects
OPENALEX - Publications 
Rachid Boutiddar Khalid Abbiche Moulay Driss Mellaoui Abdallah Imjjad Mustapha Alahiane and 5 more Youssef Aït Albrimi Khadija Marakchi Muneerah Mogren Al‐Mogren Abdellatif El Hammadi M. Hochlaf

Abstract We present a theoretical study of the [3+2] cycloaddition (32CA) reactions N‐benzyl fluoro nitrone with series maleimides producing isoxazolidines. use Molecular Electron Density Theory at MPWB1K/6‐311G(d) level. focus on reaction mechanism, selectivity, solvent, and temperature effects. In addition, we perform topological analyses minimal transition states to identify intermolecular interactions. Localization Function approach classifies as zwitterionic (zw‐) three‐atom components...

10.1002/jcc.27235 article EN Journal of Computational Chemistry 2023-10-05
 First Principles Investigations of Mild Steel Corrosion Inhibition by Dopamine Derivatives in HCl Solution
OPENALEX - Publications 
Abdallah Imjjad Khalid Abbiche Moulay Driss Mellaoui Rachid Boutiddar Rachid Oukhrib and 5 more Mouhi Eddine Hachim Hanane Zejli Khadija Marakchi S. El Issami M. Hochlaf

Abstract The inhibitory action of three dopamine derivatives on Fe (110) in 1 m HCl aqueous solution is studied by Density‐functional theory (DFT) calculations combined with Monte Carlo molecular dynamics (MD) simulations. It found that the predominant forms these compounds at acid pH adsorb spontaneously onto mild steel surface as charge transfer fraction values are positive, and aromatic rings approach parallel. computed adsorption energy exceed several hundred kcal mol −1 , thereby...

10.1002/adts.202400226 article EN Advanced Theory and Simulations 2024-10-03
 [3+2] cycloaddition reaction of N-methyl-C-(2-furyl) nitrone with maleimide derivatives: mechanistic study and selectivity, solvent and temperature effects
OPENALEX - Publications 
Moulay Driss Mellaoui Nivedita Acharjee Abdallah Imjjad Jamal Koubachi Abdellatif El Hammadi and 5 more Hassan Bourzi S. El Issami Hanane Zejli M. Hochlaf Khalid Abbiche

The [3+2] cycloaddition (32CA) reactions of N-methyl-C-(2-furyl) nitrone with maleimide derivatives have been studied in gas phase, ethanol and acetonitrile solvents within the Molecular Electron Density Theory (MEDT) framework at B3LYP-D3/6-31G(d) level. Topological analysis classifies as a zwitter-ionic (zw-) three atom component (TAC) associated high energy barrier, while global electron density transfer (GEDT) decreases requested cost for rupture olefinic double bond consequently...

10.22541/au.164753149.96891769/v1 preprint EN Authorea (Authorea) 2022-03-17
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