تصفح Academic حسب المؤلف "Bani-Yaseen, Abdulilah Dawoud"
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Computational insights into the photocyclization of diclofenac in solution: Effects of halogen and hydrogen bonding
Bani-Yaseen, Abdulilah Dawoud ( Royal Society of Chemistry , 2016 , Article)The effects of noncovalent interactions, namely halogen and hydrogen bonding, on the photochemical conversion of the photosensitizing drug diclofenac (DCF) in solution were investigated computationally. Both explicit and ... -
Computational Insights on the Electrocatalytic Behavior of [Cp*Rh] Molecular Catalysts Immobilized on Graphene for Heterogeneous Hydrogen Evolution Reaction
Bani-Yaseen, Abdulilah Dawoud; Elbashier, Elkhansa ( Springer Nature , 2020 , Article)The heterogeneous metal-based molecular electrocatalyst can typically exhibit attractive features compared to its homogeneous analogue including recoverability and durability. As such, it is necessary to evaluate the ... -
Computational study on the mechanism of the photouncaging reaction of vemurafenib: Toward an enhanced photoprotection approach for photosensitive drugs
Bani-Yaseen, Abdulilah Dawoud ( Multidisciplinary Digital Publishing Institute (MDPI) , 2021 , Article)The photochemical behavior of the photosensitive first-line anticancer drug vemurafenib (VFB) is of great interest due to the impact of such behavior on its pharmacological activity. In this work, we computationally ... -
Computational study on the nanotubes formation between olsalazine and β-cyclodextrin
Bani-Yaseen, Abdulilah Dawoud ( Avestia Publishing , 2017 , Conference Paper)Interests in cyclodextrin-derived nano-assembled supramolecular systems have recently grown notably [1,2]. Cyclodextrins are a family of oligosaccharides that possess very characteristic features of conical shape with ... -
Experimental and DFT/TD-DFT computational investigations of the solvent effect on the spectral properties of nitro substituted pyridino[3,4-c]coumarins
Mohanad, Shkoor; Mehanna, Hanin; Shabana, Ayaa; Farhat, Toka; Bani-Yaseen, Abdulilah Dawoud ( Elsevier , 2020 , Article)The UV/Vis absorption characteristics of newly synthesized pyridino[3,4-c] coumarins in different neat solvents were investigated experimentally and computationally. It is noted that the nitro-substituted pyridocoumarins ... -
Experimental and theoretical investigations of the effect of bis-phenylurea-based aliphatic amine derivative as an efficient green corrosion inhibitor for carbon steel in HCl solution
Mohanad, Shkoor; Jalab, Rem; Khaled, Mazen; Shawkat, Tahseen S.; Korashy, Hesham M.; Saad, Mohamed; Su, Haw-Lih; Bani-Yaseen, Abdulilah Dawoud... more authors ... less authors ( Elsevier , 2023 , Article)A novel bis-phenylurea-based aliphatic amine (BPUA) was prepared via a facile synthetic route, and evaluated as a potential green organic corrosion inhibitor for carbon steel in 1.0 M HCl solutions. NMR spectroscopy ... -
Microfluidic devices with modified electrochemical detection for biomarkers analysis: A review
Bani-Yaseen, Abdulilah Dawoud; Parker-James, Samantha; Sellens, Kathleen; Culbertson, Christopher T.; Jankowiak, Ryszard ( Nova Science Publishers, Inc. , 2014 , Book chapter)Integrated microfluidic systems continue to garner a great deal of attention. This interest can be attributed to the advantages that these microsystems exhibit over conventional separation and detection systems while ... -
The solvatochromic, spectral, and geometrical properties of nifenazone: A DFT/TD-DFT and experimental study
Bani-Yaseen, Abdulilah Dawoud; Al-Balawi, Mona ( Royal Society of Chemistry , 2014 , Article)The solvatochromic, spectral, and geometrical properties of nifenazone (NIF), a pyrazole-nicotinamide drug, were experimentally and computationally investigated in several neat solvents and in hydro-organic binary systems ...