Rahali S - Search Results

1

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.

Messiad FA, Ammouchi N, Belhocine Y, Alhussain H, Ghoniem MG, Said RB, Ali FAM, Rahali S. Messiad FA, et al. Among authors: rahali s. Nanomaterials (Basel). 2022 Jul 22;12(15):2517. doi: 10.3390/nano12152517. Nanomaterials (Basel). 2022. PMID: 35893486 Free PMC article.

2

Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into β-cyclodextrin using dispersion-corrected DFT calculations.

Bouhadiba A, Rahali S, Belhocine Y, Allal H, Nouar L, Rahim M. Bouhadiba A, et al. Among authors: rahali s. Carbohydr Res. 2020 May;491:107980. doi: 10.1016/j.carres.2020.107980. Epub 2020 Mar 18. Carbohydr Res. 2020. PMID: 32199172

3

Structural, electronic, and energetic investigations of acrolein adsorption on B₃₆ borophene nanosheet: a dispersion-corrected DFT insight.

Allal H, Belhocine Y, Rahali S, Damous M, Ammouchi N. Allal H, et al. Among authors: rahali s. J Mol Model. 2020 May 9;26(6):128. doi: 10.1007/s00894-020-04388-3. J Mol Model. 2020. PMID: 32388759

4

p-Trifluoromethyl- and p-pentafluorothio-substituted curcuminoids of the 2,6-di[(E)-benzylidene)]cycloalkanone type: Syntheses and activities against Leishmania major and Toxoplasma gondii parasites.

Al Nasr IS, Hanachi R, Said RB, Rahali S, Tangour B, Abdelwahab SI, Farasani A, M E Taha M, Bidwai A, Koko WS, Khan TA, Schobert R, Biersack B. Al Nasr IS, et al. Among authors: rahali s. Bioorg Chem. 2021 Sep;114:105099. doi: 10.1016/j.bioorg.2021.105099. Epub 2021 Jun 17. Bioorg Chem. 2021. PMID: 34174635

5

Evaluation of a new series of pyrazole derivatives as a potent epidermal growth factor receptor inhibitory activity: QSAR modeling using quantum-chemical descriptors.

Said RB, Hanachi R, Rahali S, Alkhalifah MAM, Alresheedi F, Tangour B, Hochlaf M. Said RB, et al. Among authors: rahali s. J Comput Chem. 2021 Dec 15;42(32):2306-2320. doi: 10.1002/jcc.26761. Epub 2021 Oct 5. J Comput Chem. 2021. PMID: 34609748

6

DFT-D4 Insight into the Inclusion of Amphetamine and Methamphetamine in Cucurbit[7]uril: Energetic, Structural and Biosensing Properties.

Litim A, Belhocine Y, Benlecheb T, Ghoniem MG, Kabouche Z, Ali FAM, Abdulkhair BY, Seydou M, Rahali S. Litim A, et al. Among authors: rahali s. Molecules. 2021 Dec 10;26(24):7479. doi: 10.3390/molecules26247479. Molecules. 2021. PMID: 34946564 Free PMC article.

7

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.

Belhocine Y, Rahali S, Allal H, Assaba IM, Ghoniem MG, Ali FAM. Belhocine Y, et al. Among authors: rahali s. Molecules. 2021 Dec 15;26(24):7622. doi: 10.3390/molecules26247622. Molecules. 2021. PMID: 34946702 Free PMC article.

8

Highly Selective Removal of Cationic Dyes from Wastewater by MgO Nanorods.

Ghoniem MG, Ali FAM, Abdulkhair BY, Elamin MRA, Alqahtani AM, Rahali S, Ben Aissa MA. Ghoniem MG, et al. Among authors: rahali s. Nanomaterials (Basel). 2022 Mar 21;12(6):1023. doi: 10.3390/nano12061023. Nanomaterials (Basel). 2022. PMID: 35335846 Free PMC article.

9

Enhanced adsorptive removal of indigo carmine dye by bismuth oxide doped MgO based adsorbents from aqueous solution: equilibrium, kinetic and computational studies.

Adam FA, Ghoniem MG, Diawara M, Rahali S, Abdulkhair BY, Elamin MR, Ben Aissa MA, Seydou M. Adam FA, et al. Among authors: rahali s. RSC Adv. 2022 Aug 31;12(38):24786-24803. doi: 10.1039/d2ra02636h. eCollection 2022 Aug 30. RSC Adv. 2022. PMID: 36199891 Free PMC article.

10

Removal of Malachite Green Dye from Aqueous Solution by Catalytic Wet Oxidation Technique Using Ni/Kaolin as Catalyst.

Moumen A, Belhocine Y, Sbei N, Rahali S, Ali FAM, Mechati F, Hamdaoui F, Seydou M. Moumen A, et al. Among authors: rahali s. Molecules. 2022 Nov 3;27(21):7528. doi: 10.3390/molecules27217528. Molecules. 2022. PMID: 36364350 Free PMC article.

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