Browsing by Author "Bani-Yaseen, Abdulilah Dawoud"
Now showing items 1-10 of 10
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Combined experimental and computational investigations of the fluorosolvatochromism of chromeno[4,3-b]pyridine derivatives: Effect of the methoxy substitution
( Elsevier , 2023 , Article)Extensive research has been conducted on the spectral properties of chromeno[4,3-b]pyridine derivatives, owing to their potential applications in sensing, optoelectronic devices, and drug discovery. This study presents a ... -
Computational insights into the photocyclization of diclofenac in solution: Effects of halogen and hydrogen bonding
( 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
( 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
( 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
( Avestia Publishing , 2017 , Conference)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 ... -
Decarboxylative Iodination of Coumarin-3-carboxylic Acids: A Facile Access to 3-Iodocoumarins
( John Wiley and Sons Inc , 2024 , Article)A straightforward protocol for the direct conversion of readily available coumarin-3-carboxylic acids to the corresponding 3-iodocoumarins is described herein. Heating acetonitrile solution of coumarin-3-carboxylic acids, ... -
Experimental and DFT/TD-DFT computational investigations of the solvent effect on the spectral properties of nitro substituted pyridino[3,4-c]coumarins
( 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
( 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
( 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
( 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 ...
