Zobrazeno 1 - 10
of 55
pro vyhledávání: '"Muneerah Mogren Al-Mogren"'
Autor:
Oumaima Douass, Muneerah Mogren Al-Mogren, M'Hamed Touil, Samira Dalbouha, Moustapha Belmouden, Bousselham Samoudi, Santiago Sanchez-cortes
Publikováno v:
AIMS Environmental Science, Vol 11, Iss 5, Pp 776-796 (2024)
We utilized density functional theory (DFT) to investigate the electronic structure and Raman spectrum of Azinphos-methyl (AzM) (C10H12N3O3PS2) both in isolation and in combination with gold nanoclusters (Aun, n = 2, 4, and 6). The research highlight
Externí odkaz:
https://doaj.org/article/f9ec458da5164e1c9d68aeb5cefc011b
Autor:
Nedjla Khelfa, Salah Belaidi, Oussama Abchir, Imane Yamari, Samir Chtita, Abdelouahid Samadi, Muneerah Mogren Al-Mogren, Majdi Hochlaf
Publikováno v:
Scientific African, Vol 24, Iss , Pp e02202- (2024)
Plasmodium falciparum dihydrofolate reductase (PfDHFR) is a promising therapeutic target for antimalarial interventions. Diaminodihydrotriazine derivatives have demonstrated their efficacy as antimalarial agents by targeting PfDHFR inhibition. In thi
Externí odkaz:
https://doaj.org/article/ab45d1614d5e4ab2a876b2e531f99ecc
Autor:
Maroua Fattouche, Salah Belaidi, Mebarka Ouassaf, Samir Chtita, Muneerah Mogren Al-Mogren, Majdi Hochlaf
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100463- (2024)
Neuropathic pain syndrome has a profoundly negative and agonizing impact on the lives of the individuals it afflicts. In order to find an effective treatment for this condition, extensive and thorough scientific studies have demonstrated that the σ1
Externí odkaz:
https://doaj.org/article/4ba8cccda1954e3e8f1bdc92cb48e47b
Autor:
Sarvesh Kumar, Masamitsu Hoshino, Boutheïna Kerkeni, Gustavo García, Ghofrane Ouerfelli, Muneerah Mogren Al-Mogren, Paulo Limão-Vieira
Publikováno v:
Molecules, Vol 29, Iss 17, p 4118 (2024)
In the present work, we report an update and extension of the previous ion-pair formation study of Hubers, M.M.; Los, J. Chem. Phys. 1975, 10, 235–259, noting new fragment anions from time-of-flight mass spectrometry. The branching ratios obtained
Externí odkaz:
https://doaj.org/article/9c45800427dc4c31b757e7ec8b28495a
Publikováno v:
Journal of King Saud University: Science, Vol 34, Iss 5, Pp 102117- (2022)
Density functional theory (DFT) computations were done to explore the optical and electronic properties of two conjugated molecules, emodin and purpurin, as potential organic semi-conductors. The molecules were functionalized to explore the impact of
Externí odkaz:
https://doaj.org/article/a4b5ae5a738746598ad98180ee664575
Publikováno v:
Frontiers in Chemistry, Vol 9 (2021)
CCSD(T)-F12 theory is applied to determine electronic ground state spectroscopic parameters of various isotopologues of methylamine (CH3-NH2) containing cosmological abundant elements, such as D, 13C and 15N. Special attention is given to the far inf
Externí odkaz:
https://doaj.org/article/bfed095315a24a3db65fd51271f50837
Autor:
Insaf, Toumi, Samira, Dalbouha, Muneerah Mogren, Al-Mogren, Ounaies, Yazidi, Nejm-Eddine, Jaïdane, Miguel, Carvajal, María Luisa, Senent
Publikováno v:
The journal of physical chemistry. A. 126(40)
Two ketones of atmospheric interest, methyl glyoxal and methyl vinyl ketone, are studied using explicitly correlated coupled cluster theory and core-valence correlation-consistent basis sets. The work focuses on the far-infrared region. At the employ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::679138e3f2c69f69fcfd17a16af1ff7e
https://pubmed.ncbi.nlm.nih.gov/36178377
https://pubmed.ncbi.nlm.nih.gov/36178377
Autor:
Muneerah, Mogren Al Mogren, Driss, Ben Abdallah, Sarah, Dhaif Allah Al Harbi, Maria Luisa, Senent
Publikováno v:
The Journal of chemical physics. 156(18)
Accurate modeling of anionic abundances in the interstellar and circumstellar media requires calculations of collisional data with the most abundant species that are usually He atoms and H
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9958bcc40e32d02cad56e183a1084ed3
https://pubmed.ncbi.nlm.nih.gov/35568567
https://pubmed.ncbi.nlm.nih.gov/35568567
Autor:
Ahlam BenAmor, Sarah Dhaif Allah Al Harbi, Muneerah Mogren Al Mogren, Salah Belaidi, Enfale Zerroug
Publikováno v:
Journal of King Saud University: Science, Vol 32, Iss 4, Pp 2301-2310 (2020)
Quantitative structure-activity relationships and drug-likeness evaluations were investigated for 33 compounds of 1,2-diazole derivatives as anti-mycobacterium tuberculosis. MLR procedures were used to obtain QSAR models. The predictivity of the mode
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8cd2610e977c7c34462263e8451879f8
https://doi.org/10.1016/j.jksus.2020.03.007
https://doi.org/10.1016/j.jksus.2020.03.007
Autor:
Majdi Hochlaf, Muneerah Mogren Al Mogren, M. Ben El Hadj Rhouma, S. Marzouk, François Lique, Yosra Ajili
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 2020, 22 (2), pp 740-747. ⟨10.1039/c9cp05310g⟩
Physical Chemistry Chemical Physics, 2020, 22 (2), pp 740-747. ⟨10.1039/c9cp05310g⟩
Iodine oxide (IO) is an important tropospheric molecule. In the present paper, we mapped the potential energy surfaces (PESs) of the doubly degenerate IO(X-2 pi)-Ar van der Waals system using single- and double-excitation coupled cluster approaches w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7117659793773f57950e23d92f54dc14
https://doi.org/10.1039/c9cp05310g
https://doi.org/10.1039/c9cp05310g