Journal Papers (Recent and Selected)

* corresponding author

• Hiba A Ali, Marya K Noor, Abdulilah Dawoud Bani-Yaseen*, “Unveiling the Central Metal Effects in Thiophene-Substituted Metalloporphyrins Electrodes for Electrochemical Energy Sources: A First-Principles Study”; Journal of Power Sources 631 (2025) 236284. https://doi.org/10.1016/j.jpowsour.2025.236284

• Ahmed Abdelhay, Abdulilah Dawoud Bani-Yaseen*, “Exploring Cyclodextrin-Driven Advancements in Aqueous Zn-Ion Battery: A Review”; Carbohydrate Polymers 249-B (2025) 123041. https://doi.org/10.1016/j.mtcomm.2020.101694

• Marya K Noor, Hiba A Ali, Abdulilah Dawoud Bani-Yaseen*, “First-Principle Computational Insights on Furan- and Thiophene-Functionalized Zinc-Porphyrins as High Performance Organic Cathodes for Electrochemical Energy Storage Systems”; Electrochimica Acta 509 (2025) 145234. https://doi.org/10.1016/j.mtcomm.2020.101694

• Abdulilah A. Dawoud Bani-Yaseen*, Mohanad Shkoor*, Vandana Thotathil, Elham G. Mohammad, Hanin Mehanna, Raed Al-Zou’bi, , “Highly Fluorescent Push-Pull Bis-Coumarinyl Sulfone: Synthesis, Photophysical Behavior, and Solvatochromic Response”; Journal of Luminescence 280 (2025) pp 121064. https://doi.org/10.1016/j.jlumin.2025.121064

• Ahmed Abdelhay, Abdulilah Dawoud Bani-Yaseen*, “Recent advances and perspectives of supramolecular host-guest systems for electrochemical energy storage”; Materials Today Chemistry (2024), 40, 102259. https://doi.org/10.1016/j.mtcomm.2020.101694

• Jawaher Al-essa, Abdulilah Dawoud Bani-Yaseen*, “Elucidation of the influence of tautomerization on the physicochemical stability of photoactive anticancer drug Vemurafenib in Solutions: Computational insights”; Computational and Theoretical Chemistry (2024), 1239, 114754. https://doi.org/10.1016/j.comptc.2024.114754

•  Mohanad Shkoor, Elham G. Mohammad, Raed Al-zou’bi, Abdulilah A. Dawoud Bani-Yaseen*, “Unraveling the effect of molecular medium on the fluorosolvatochromism of the biphenyl- salicylate derivative drug Diflunisal: Experimental and computational study”; Journal of Molecular Liquids (2024), I409, pp 125488. https://doi.org/10.1016/j.molliq.2020.113509

•  Raed M. Al-Zoubi*, Walid K. Al-Jammal, Mohanad Shkoor*, Abdulilah D. Bani-Yaseen, Abbas Khan, Abdelali Agouni, Robert McDonald, “Efficient and regioselective synthesis of ortho-diiodinated homobenzylic alcohol derivatives: in silico evaluation as potential anticancer IDO/TDO inhibitors”; Organic & Biomolecular Chemistry (2024), 22, pp 7395-7410. https://doi.org/10.1039/D4OB01076K

•  Mohanad Shkoor, Vandana Thotathil, Raed M. Al-Zoubi, Haw-Lih Su, Abdulilah A. Dawoud Bani-Yaseen*, “Combined experimental and computational investigations of the fluorosolvatochromism of chromeno[4,3-b]pyridine derivatives: Effect of the methoxy substitution”; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy  (2023), 303, pp 123210. https://doi.org/10.1016/j.saa.2023.123210

• Mothana K. Al-Omari, Mai Elaarag, Raed M. Al-Zoubi*, Ahmad R. Al-Qudimat, Ayman A. Zarour, Enas A. Al-Hurani, Zainab E. Fares, Leena M. Alkharraz, Mohanad Shkoor, Abdulilah D. Bani-Yaseen, Omar M. Aboumarzouk, Aksam Yassin, Abdulla A. Al-Ansari; “Organoboronic acids/esters as effective drug and prodrug candidates in cancer treatments: challenge and hope”, Journal of Enzyme Inhibition and Medicinal Chemistry (2023), 38, pp 2220084. https://doi.org/10.1080/14756366.2023.2220084

• Abdulilah A. Dawoud Bani-Yaseen*, “On the Molecular Properties of Graphene-Pyrazines Conjugated Ru and Fe Complexes: Computational Insights”; Material Today Communications (2021), 26, 101694. https://doi.org/10.1016/j.mtcomm.2020.101694

•  Abdulilah A. Dawoud Bani-Yaseen*,Rahma Sarayra, Fania Nabilla,“The effects of substituents on the reductive elimination of difluoromethylated hydrazones from small bite-angle Pd^II molecular catalyst: a DFT study”; Computational and Theoretical Chemistry (2021), 1197, 113162. https://doi.org/10.1016/j.comptc.2021.113162

•  Mohanad Shkoor, Hanin Mehanna, Ayaa Shabana, Toka Farhat, Abdulilah A. Dawoud Bani-Yaseen*,“Experimental and DFT/TD-DFT computational investigations of the solvent effect on the spectral properties of nitro substituted pyridino[3,4-c]coumarins”; (2020), Journal of Molecular Liquids, pp 113509. https://doi.org/10.1016/j.molliq.2020.113509

•  Abdulilah A. Dawoud Bani-Yaseen *,“The supramolecular host-guest complexation of Vemurafenib with β-cyclodextrin and cucurbit [7] uril as drug photoprotecting systems: A DFT/TD-DFT study”; Computational and Theoretical Chemistry (2020), 1191, 113026. https://doi.org/10.1016/j.comptc.2020.113026

•  Abdulilah A. Dawoud Bani-Yaseen*, Elkhansa Elbashier, “Computational Insights on the Electrocatalytic Behavior of [Cp*Rh] Molecular Catalysts Immobilized on Graphene for Heterogeneous Hydrogen Evolution Reaction”; Scientific Reports (2020)10: 5777. https://doi.org/10.1038/s41598-020-62758-6

•  Amina S. Aljaber, Abdulilah A. Dawoud Bani-Yaseen*, “Computational Exploration of the Effect of Molecular Medium on the Tautomerization of Azo Prodrug of 5-aminosalicylic Acid”; Journal of Molecular Graphics and Modelling (2019) 86, 160-169. https://doi.org/10.1016/j.jmgm.2018.10.015

•  Abdulilah A. Dawoud Bani-Yaseen*, “Computational insights into the photocyclization of diclofenac in solution: effects of halogen and hydrogen bonding”. Physical Chemistry Chemical Physics (2016), 18 (31): 21322-21330. https://doi.org/10.1039/C6CP03671F

•  Abdulilah A. Dawoud Bani-Yaseen*, Mona Al-Balawi, “Solvatochromic, Spectral, and Geometrical Properties of Nifenazone: A DFT/TD-DFT and Experimental Study”. Physical Chemistry Chemical Physics (2014), 16: 15519- 15527. https://doi.org/10.1039/C4CP01679C

•  Abdulilah A. Dawoud Bani-Yaseen*, Fawaz Hammad, Bader S. Ghanem, Elham G. Mohammad “On the Photophysicochemical Properties of Selected Fluoroquinolones: Solvatochromic and Fluorescence Spectroscopy Study”. Journal of Fluorescence (2013), 23:93-101. https://doi.org/10.1007/s10895-012-1120-7

• Abdulilah A. Dawoud Bani-Yaseen*, “Fabrication and Characterization Fabrication of Fully Integrated Microfluidic Device with Carbon Sensing Electrode for the Analysis of Selected Biomedical Targets”. IEEE Sensors Journal (2009), 9 (2), 81-86. https://doi.org/10.1109/JSEN.2008.2011074

Research Grants:

• Abdulilah A. Dawoud Bani-Yaseen (Lead Principal Investigator), “Computationally‐Guided Design and Syntheses of Novel Bisurea‐Based Molecular Tweezers: Towards the Development of More Efficient Corrosion Inhibitors for Extreme Applications in the Oil and Gas Industry ,” Qatar University, internal grant, Grant no. QUCG-CAS-2024-380, QR 300,000 (~US$ 82,200), 1/2024-12/2025, State of Qatar..

• Abdulilah A. Dawoud Bani-Yaseen, (Lead Principal Investigator), Yannis De Luna, Ranim Alsoufi, Aseel Yousef, “Computational Insights into the Mechanism of Palladium-Catalyzed Alkylation of Aldehyde-Derived Hydrazones,” Qatar national research Fund-UREP,  Grant no UREP24-008-1-002, 2020, State of Qatar.

• Abdulilah A. Dawoud Bani-Yaseen, “Computational investigations of noencapsulation for reducing the phototoxicity of Vemurafenib anticancer drug” Qatar University, internal grant, Grant no. QUCD-CAS-2020-1, 2020, QR 50000 (~US$ 13,700), State of Qatar.

• Abdulilah A. Dawoud Bani-Yaseen, (L-PI), Rahma Sarayrah, Khulood Aljanahi, ” “On the Reductive Elimination of Palladium-Catalyzed Alkylation of Aldehyde-Derived Hydra zones Computational Study” Qatar University, Undergraduate Grant no. QUST-2-CAS-2018-1, 2018, QR 10000 (~US$ 2750), State of Qatar.

• Abdulilah A. Dawoud Bani-Yaseen, (Lead Principal Investigator), Fatma ElNamla, Nour Odeh, Jawaher Al-Marri, “Computational Insights into the Mechanism of Palladium-Catalyzed Alkylation of Aldehyde-Derived Hydrazones,” Qatar national research Fund-UREP,  Grant no. 20-103-1-018, 2017-2018, State of Qatar.

• Abdulilah A. Dawoud Bani-Yaseen, “Combined Computational and Experimental Investigations of the effect of nanomaterial-based catalyst on the photoreactions and spectral properties of selected drugs”, Qatar University, Grant no. QUUG-CAS-DCES-15\16-17, 2016-2017, QR 120000 (~US$ 33K), State of Qatar.

• Abdulilah A. Dawoud Bani-Yaseen, Hana Kadavil, “Spectral and Computational Investigations of Formation of Sulfasalazine-Cyclodextrins Nanotubes”, Qatar University, Student grant, Grant no. QUST-CAS-SPR-13/14-22, August 2014, QR 94000 (~US$25,700), State of Qatar.

• Abdulilah A. Dawoud Bani-Yaseen, “Medium Effects on the Spectral Characteristics of Selected Pharmaceutical Materials”, Qatar University, Start-up grant, Grant no. QUSG-CAS-DCH-13/14-5, April 2014, QR 45000 (~US$12,300), State of Qatar.

• Bader S. Ghanem, Abdulilah A. Dawoud, Shraim, “Synthesis and Characterization of Novel Fluorinated Microporous polyimidesas Materials for Membranes Gas Separation” Taibah University (Deanery of Scientific Research), Madinah, KSA.  Approved, 2011-2012, SR 175,000, (~US$ 50,000).

• Abdulilah A. Dawoud, Bader S. Ghanem, Elham G. Mohammad, ” Photophysical and Photochemical Studies of Selected Photosensitive Drugs” Taibah University (Deanery of Scientific Research), Madinah, KSA. 2010-2011, SR 159,000, (~US$43,000).

• Bader S. Ghanem, Abdulilah A. Dawoud, S. Al-Raqa, A. Shraim, “Synthesis of Novel Nanoporous Network Organic Polymers and Investigating their Applications in Adsorption of Environmental Organic Pollutants” Strategic Research Unit at Taibah University, 2010, SR2,000,000 (~US$533,000), KSA.

• Abdulilah A. Dawoud, Bader S. Ghanem, Elham G. Mohammad, “Development of Novel Electrochemical Nanobiosensors modified with LBL Nanofilms for Biomonitoring Selected Biomarkers” Strategic Research Unit at Taibah University, Grant no. 08-NAN22-5, October 2009, SR2,315,000 (~US$ 617,000), KSA.

• A. Shraim, A. Al-Suhaimi, A. Dawoud, A. Diab, I. Niazi, M.  Metwaly, “Analysis of pharmaceutical residues and investigating their effect on bacterial resistance in municipal wastewater of Almadinah Almunawarah,” Taibah University (Deanery of Scientific Research), Grant no. 429/231, April 2008, SR313,800 (~US$84,000), KSA.