Browsing Qatar University Institutional Repository by Author "Abdulilah Dawoud, Bani-Yaseen"
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Investigation on the impact of solvent on the photochemical properties of the photoactive anticancer drug Vemurafenib: A computational study
Abdulilah Dawoud, Bani-Yaseen ( Elsevier , 2020 , Article)Rationalizing the photochemical behavior of a photosensitive drug in terms of molecular properties is necessary toward understanding related potential phototoxicity. Here, we report on the effect of the molecular ... -
On the molecular properties of graphene-pyrazines conjugated Ru and Fe complexes: Computational insights
Abdulilah Dawoud, Bani-Yaseen ( Elsevier , 2020 , Article)Graphene and related materials can exhibit substantial molecular properties of significant importance in various landscapes of interests including catalysis. On the other hand, transition-metal-based molecular heterogeneous ... -
The supramolecular host-guest complexation of Vemurafenib with β-cyclodextrin and cucurbit[7]uril as drug photoprotecting systems: A DFT/TD-DFT study
Abdulilah Dawoud, Bani-Yaseen ( Elsevier , 2020 , Article)The supramolecular host-guest complexation of the first-line anticancer drug Vemurafenib (VFB) with β-cyclodextrin (β-CD) and cucurbit[7]uril (CB7) is computationally investigated employing the DFT/TD-DFT method in implicit ... -
Synchronous spectrofluorimetric study of the supramolecular host–guest interaction of β-cyclodextrin with propranolol: A comparative study
Abdulilah Dawoud, Bani-Yaseen ( Elsevier , 2015 , Article)The objective of this work is to assess the use of constant-wavelength synchronous fluorescence spectroscopy (SFS) in comparison to conventional fluorescence spectroscopy (CFS) for the investigation of the supramolecular ...