Výsledky vyhledávání - "Abdelhak Ouled Aitouna"

[2+1] Cycloaddition reaction of α-atlantone with m-CPBA in the light of experimental and MEDT quantum-chemical study

Autor: Houria Raji, Abdelhak Ouled Aitouna, Ali Barhoumi, Redouane Hammal, Ahmed Chekroun, Abdellah Zeroual, Ahmed Benharref, Noureddine Mazoir

Publikováno v: Chemistry of Heterocyclic Compounds. 59:112-117

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5256f6e5b83db45a9b38b42912da399c
https://doi.org/10.1007/s10593-023-03172-4

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Expounding the Mechanism and Regioselectvity of [3+2] Cycloloaddition between N-phenylmethanimine oxide Nitrone and 2-methylene-1,3-dithiolane 1,3-dioxide

Autor: Abdelhak Ouled Aitouna, Ali Barhoumi, Abdellah Zeroual, Haydar Mohammad-Salim, Jesus Julian Ortiz

The molecular electron density theory (MEDT) framework has been used to analyze the [3 + 2] cycloaddition reaction (32CA) between 2-methylene-1,3-dithiolane 1,3-dioxide MDD-2 and N-phenylmethanimine oxide nitrone NIT-1 at the B3LYP/6-311 + + G(d,p) l

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ae92fdfb862f3ce45235915d8260b011
https://doi.org/10.21203/rs.3.rs-2926592/v1

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Antiviral Docking Analysis, Semisynthesis and Mechanistic Studies on the Origin of Stereo- and Chemoselectivity in Epoxidation Reaction of α'-trans-Himachalene

Autor: Houria Raji, Abdelhak Ouled Aitouna, Ali Barhoumi, Ahmed Chekroun, Abdellah Zeroual, Asad Syed, Ahmed Benharref

Publikováno v: Journal of Molecular Liquids. :122204

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::37d8dce0611ecd4989fdff4ecf6e23a1
https://doi.org/10.1016/j.molliq.2023.122204

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A DFT reinvestigation of chemo- and stereoselectivity epoxidation from α- and ɣ-trans himachalene with meta Chloroperoxybenzoic acid

Autor: Abdelhak Ouled Aitouna, Hicham Ben El Ayouchia, A. Chekroun, Ahmed Benharref, Lahoucine Bahsis, Redouan Hammal

Publikováno v: Mediterranean Journal of Chemistry. 9:133-141

In this work the epoxidation reaction of the α- and ɣ-trans himachalene in the presence of meta chloroperoxybenzoic acid (m-CPBA) has been studied within the Density Functional Theory (DFT) method at the B3LYP/6-311G(d,p) level in dichloromethane a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cb1779ab7852057c62dca824b3d24f83
https://doi.org/10.13171/mjc92190919645aoa/hbe

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A DFT reinvestigation of chemo- and stereoselectivity epoxidation from Î±- and É£-trans himachalene with meta Chloroperoxybenzoic acid

Autor: Abdelhak Ouled Aitouna, Lahoucine Bahsis, Hicham Ben El Ayouchia, Ahmed Benharref, Ahmed Chekroun

Publikováno v: Mediterranean Journal of Chemistry, Vol 9, Iss 2, Pp 133-141 (2019)

In this work the epoxidation reaction of the Î±- and É£-trans himachalene in the presence of meta chloroperoxybenzoic acid (m-CPBA) has been studied within the Density Functional Theory (DFT) method at the B3LYP/6-311G(d,p) level in dichlorometha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doajarticles::a45653c656247b535fe64c49ea5e8a52
http://www.medjchem.com/index.php/medjchem/article/view/1041

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Chemical reactivities and molecular docking studies of parthenolide with the main protease of HEP-G2 and SARS-CoV-2

Autor: M.E. Belghiti, A. Zeroual, El Hassane Anouar, H. El Alaoui El Abdallaoui, Ahmed Benharref, A. Chekroun, Abdelhak Ouled Aitouna, Noureddine Mazoir, Mohammed Salah, Aslı Eşme, Anass Ouled Aitouna

Publikováno v: Journal of Molecular Structure

We have used bioinformatics to identify drugs for the treatment of COVID-19, using drugs already being tested for the treatment as benchmarks like Remdesivir and Chloroquine. Our findings provide further support for drugs that are already being explo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e2f177ee16f0753d8239ab2b144e275
https://doi.org/10.1016/j.molstruc.2021.130705

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Divulging the regioselectivity of epoxides in the ring-opening reaction, and potential himachalene derivatives predicted to target the antibacterial activities and SARS-CoV-2 spike protein with docking study

Autor: Ahmed Benharref, C. Nejjari, A. Chekroun, Habib El Alaoui El Abdallaoui, M.E. Belghiti, Abdelhak Ouled Aitouna, Noureddine Mazoir, Mohammed Salah, Anas Ouled Aitouna, Aslı Eşme, A. Zeroual

Publikováno v: Journal of Molecular Structure. 1244:130864

The ring-opening reaction of epoxides 1b and 1c utilizing LiAlH4, have been studied within the Molecular Electron Density Theory (MEDT) at the B3LYP/6–31(d) computational level. The regioisomeric reaction paths including the two oxiranes cycles of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::080de5d0e15c5c12dbc2bfc1017291e9
https://doi.org/10.1016/j.molstruc.2021.130864

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Climate Change Impacts on Biodiversity in Arid and Semi-Arid Areas

Autor: Abdelhak Ouled Aitouna, Oumayma Nassiri, Hanane Boutaj, Aicha Moumni

Considerable attention has been paid to climate change and its impacts on biodiversity. The climate change has caused several problems such as continuous ecosystem degradation and a resultant biodiversity decline. In addition, climate warming has a r

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5bc93a23eaa3c84e57f808546f6b9e2
https://doi.org/10.4018/978-1-5225-7387-6.ch007

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