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Dysphania ambrosioides Essential Oil: An Eco-friendly Inhibitor for Mild Steel Corrosion in Hydrochloric and Sulfuric Acid Medium

Autor: Manal Zefzoufi, Hassan El Attari, Amine Mirinioui, Rabiaa Fdil, Souad Jorio

Publikováno v: Journal of Bio- and Tribo-Corrosion. 7

The medicinal plant products have been found to be active and eco-friendly anticorrosion agents. Corrosion inhibition of essential oil of Dysphania ambrosioides (DAEO) were investigated on mild steel C38 in 0.5 M H2SO4 and 1 M HCl solutions at differ

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f85cb19ccc5c1649480e1d7a707ef200
https://doi.org/10.1007/s40735-021-00584-7

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Reactivity Indices related to DFT Theory, the Electron Localization Function (ELF) and Non-Covalent Interactions (NCI) Calculations in the Formation of the non-Halogenated Pyruvic Esters in Solution

Autor: Souad Jorio, Hassna Abou El Makarim, Mohammed Salah, Mohammed Tabyaoui

Publikováno v: Mediterranean Journal of Chemistry, Vol 8, Iss 6, Pp 476-485 (2019)

The non-halogenated pyruvic esters are essential compounds, considering that they exhibit particular properties, due to the proximity of two functional groups: carbonyl and ester. These molecules can be obtained from the approach of the Lewis acid Mg

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e61499461f3a067d884f3e78d6751050
http://www.medjchem.com/index.php/medjchem/article/view/930

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MEDT study of the 1,3-DC reaction of diazomethane with Psilostachyin and investigation about the interactions of some pyrazoline derivatives with protease (Mpro) of nCoV-2

Autor: M.E. Belghiti, Souad Jorio, Khadija Marakchi, Mohammed Salah, H. El Alaoui Abdellaoui, H. El Hadki, Anas Ouled Aitouna, Abdellah Zeroual, N. Komiha

Publikováno v: Journal of Molecular Graphics and Modelling
Journal of Molecular Graphics & Modelling

The molecular electronic density theory (MEDT) was invested to elucidate the chemo-, regio- and stereo-selectivity of the 1,3-dipolar cycloaddition between Diazomethane (DZM) and Psilostachyin (PSH). The DFT method at B3LYP/6-31+G(d,p) level of theor

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4579b9da4dfe57462fac448f539f7457

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Theoretical study of the 1,3-DC reaction between fluorinated alkynes and azides: Reactivity indices, transition structures, IGM and ELF analysis

Autor: Oum Keltoum Kabbaj, Abdellah Zeroual, Khadija Marakchi, Souad Jorio, Mohammed Salah, Hamza El Hadki, Najia Komiha

Publikováno v: Journal of molecular graphicsmodelling. 94

DFT/B3LYP/6–31 + g(d,p) calculations were performed and reactivity indices, transition structures theory were applied to elucidate the molecular mechanism of the reaction between fluorinated alkynes and different azides. The process of cycloadditio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e15bc5a7f04b09112fda59cf6cc4161
https://pubmed.ncbi.nlm.nih.gov/31726313

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