Dalal Karad Thbayh

@uobasrah.edu.iq

University of Basrah/ Polymer Research Center
University of Basrah

Dalal Karad Thbayh


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https://researchid.co/dalalthbayh

RESEARCH, TEACHING, or OTHER INTERESTS

Physical and Theoretical Chemistry, Materials Science, Organic Chemistry
18

Scopus Publications

247

Scholar Citations

8

Scholar h-index

6

Scholar i10-index

Scopus Publications

  • Dual-functionality for solar hydrogen generation and high-performance energy storage
    Dalal N. Alhilfi, Dalal K. Thbayh, Alaa S. Al-kabbi
    Materials Today Communications, 2026
  • Reply to: Letter to the editor of Heliyon re Comparative study of the antioxidant capability of EDTA and Irganox. [Heliyon. 2023; 9(5): e16064]
    Dalal K. Thbayh, Marcin Palusiak, Béla Viskolcz, Béla Fiser
    Heliyon, 2025
  • Anticancer Activity, DFT, Molecular Docking, ADMET, and Molecular Dynamics Simulations Investigations of Schiff Base Derived From 2,3-Diaminophenazine and Its Metal Complexes
    Saleh M. Bufarwa, Mustapha Belaidi, Leila M. Abbass, Dalal K. Thbayh
    Applied Organometallic Chemistry, 2025
    In our previous study, Schiff base (1) complexes derived from 2,3‐diaminophenazine and metal ions Co(II) (2), Ni(II) (3), Cu(II) (4), and Cd(II) (5) were synthesized and characterized, demonstrating a significant biological activity. This study investigates their anticancer potential, specifically against prostate cancer. The complexes exhibited notable reductions in cancer cell viability, with IC50 values of 0.531 μM Ni(II), 0.630 μM Cu(II), and 0.655 μM Co(II), comparable with the standard drug enzalutamide. The Co(II) complex showed the highest efficacy, while Cd(II) displayed the lowest (IC50 = 0.648 μM). The presence of a phenazine ring in these complexes enhances DNA binding, contributing to their anticancer effects. HOMO‐LUMO calculations revealed energy gaps ranging from 2.525 to 3.294 eV, indicating varying reactivity and potential for biological interactions. Molecular docking studies revealed that compound (1) exhibited the highest binding affinity (−9.19 kcal/mol) for the prostate cancer‐related receptor, with significant hydrogen bond interactions. Molecular dynamics simulations over 100 ns demonstrated stable binding, with RMSD values below 1.5 Å, and RMSF analysis provided insights into protein flexibility. ADMET studies revealed favorable drug‐like properties, including good gastrointestinal absorption (> 30%), high blood–brain barrier permeability (LogBBB = 0.64), and high human intestinal absorption (68.47%–88.79%). No inhibition of CYP2D6 was observed, suggesting low risk for drug–drug interactions. These Schiff base‐metal complexes show promising anticancer activity and favorable ADMET profiles, indicating their potential as therapeutic agents for prostate cancer treatment.
  • Computational Approach: 3D-QSAR, Molecular Docking, Molecular Dynamics Simulation Investigations, Drug-likeness, and DFT Score Evaluation of a Potential Novel and Retrosynthesis of Some TR-H Derivatives as Streptococcus pneumoniae Drug
    BELAIDI Mustapha, TCHOUAR Noureddine, DJELILATE Mohammed, Saleh Bufarwa, Dalal K. Thbayh
    Karbala International Journal of Modern Science, 2025
  • Fabrication and characterization of novel glass-ionomer cement prepared from oyster shells
    Kifayah K. Thbayh, Rafid M. AlBadr, Kareema M. Ziadan, Dalal K. Thbayh, Shaimma M. Mohi, et al.
    Scientific Reports, 2024
  • α-Tocopherol and Trolox as Effective Natural Additives for Polyurethane Foams: A DFT and Experimental Study
    Dalal K. Thbayh, Dóra Mentes, Zsanett R. Boros, Marcin Palusiak, László Farkas, et al.
    Molecules, 2024
    In this work, α-tocopherol and trolox were studied as compounds that have high biological activity. α-Tocopherol is considered a food additive because the refining process of vegetable oils causes the depletion of this vitamin, and thus, its inclusion is required to keep them from oxidizing. Computational tools have determined the antioxidant activity of these additives. The geometries of the studied molecules were optimized using two density functional methods, including M05-2X and M06-2X, in combination with the 6-311++G(2d,2p) basis set. The results indicated that when comparing the antioxidant activity of α-tocopherol and trolox, they were very similar to each other, but α-tocopherol had an antioxidant activity slightly higher, around 1.2 kJ/mol, than trolox. Thus, these additives can be used as polymer additives to protect materials from free-radical-induced stress. To test their applicability in polymeric formulations, flexible polyurethane foams were prepared with varying α-tocopherol ratios and NCO indices (1.0 and 1.1). Increasing the α-tocopherol content reduced the compressive force and altered the mechanical properties, likely due to its presence in the foam structure. This additive not only fine-tuned the mechanical properties but also provided antioxidant effects, enabling multiple enhancements in polymeric products with a single additive.
  • INVESTIGATION ON THE INFLUENCE OF WASTE-BASED FILLERS ON THE MECHANICAL AND THERMAL CHARACTERISTICS OF RIGID POLYURETHANE FOAMS
    Muhsen Chelab Muhsen, Ahmed J. Mohammed, Ziyad T. AL-Malki, Dalal K. Thbayh
    Eureka Physics and Engineering, 2024
    An investigation was conducted to analyze the impact of incorporating coal powder particles at different weight ratios (5, 10, 15, 25, and 35) on the mechanical properties and thermal conductivity coefficient of the polyurethane polymer. The thermal conductivity coefficient of the samples was calculated using Holmarc's Lee's Disc apparatus device. The mechanical properties like compressive, tensile, and bending strengths were measured using a universal machine. The results indicated that increasing the coal powder ratio leads to an improvement in the thermal insulation ability due to a decrease in the value of thermal conductivity. Also, the addition of these percentages led to a rise in the values of the mechanical qualities represented by the compressive strength, especially at the ratio of 25 wt. %, with a value equal to 2.79 MPa (MPa). The flexural resistance and tensile strength increase at a ratio of 35 wt. %, with values equal to 20.4 MPa and 2.86 MPa respectively. The results indicate that the addition of coal powder enhances the ability of thermal conductivity at the ratios (5 %, 10) wt. %, with values equal to 0.119 W/m ºC and 0.114 W/m ºC, respectively, by increasing the thermal conductivities of the samples. The aim of this study is, investigate the effect of filler used coal powder waste on the mechanical and thermal properties of PU. The filler materials show the advantages of recycling waste. Filler influences the morphology and strengthens the brittleness. Additionally, the technology of polyurethane materials conforms to the use of coal powder. The overall amount of energy used to produce PU composites is decreased when waste of filler is used to partially replace petrochemical components
  • Monoethanolamine assisted CO2 hydrogenation to methanol – A computational study
    Rachid Hadjadj, Imre G. Csizmadia, Hadeer Q. Waleed, Dalal K. Thbayh, Béla Viskolcz, et al.
    Molecular Catalysis, 2024
  • Antituberculosis, antimicrobial, antioxidant, cytotoxicity and anti-inflammatory activity of Schiff base derived from 2,3-diaminophenazine moiety and its metal(II) complexes: Structural elucidation, computational aspects, and biological evaluation
    Saleh M. Bufarwa, Reem M. El-Sefait, Dalal K. Thbayh, Mustapha Belaidi, Rehab K. Al-Shemary, et al.
    Reviews in Inorganic Chemistry, 2024
    Enticed by the present scenario of infectious diseases, four new Co(II), Ni(II), Cu(II), and Cd(II) complexes of Schiff base ligand were synthesized from 6,6′-((1E-1′E)(phenazine-2,3-dielbis(azanylidene)-bis-(methanylidene)-bis-(3-(diethylamino)phenol)) (H 2 L) to ascertain as effective drug for antituberculosis, anti-inflammatory, antioxidant, cytotoxic and antimicrobial activities. The organic ligand and its metal(II) complexes were characterized by numerous physical and spectroscopic methods, which showed that the complexes have a general formula, [ML], (where M = Co(II) (C1), Ni(II) (C2), Cu(II) (C3) and Cd(II) (C4)), for metal complexes have been proposed and have a square planar geometry, are amorphous in nature, and are thermally stable. Data highlight obtained from activity testing against tuberculosis, inflammation, and oxidants that all compounds are significantly active against these symptoms. Also, was to evaluate the effectiveness of various compounds against bacterial and fungal strains. Specifically, four bacterial strains (Bacillus subtilis, Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa) and two fungal strains (Aspergillus flavus and Candida albicans) were tested and compared to the results of some standard drugs. The results revealed that compound C4 was more effective against bacterial strains than the comparison standard drugs. In addition, C3 was found to be the most effective of the comparison antibiotics against fungi, while the other compounds showed moderate antifungal activity. Moreover, to support the vitro results, certain computational studies as molecular docking studies, DFT, MESP, and AMEDT were also conducted to confirm the effectiveness of an organic ligand and its complexes against tuberculosis. These studies revealed that C4 is the most effective against tuberculosis and has desirable effects such as absorption, no degradation and no hepatotoxicity, etc.
  • Comparative study of the antioxidant capability of EDTA and Irganox
    Dalal K. Thbayh, Marcin Palusiak, Béla Viskolcz, Béla Fiser
    Heliyon, 2023
  • Antioxidant Potential of Santowhite as Synthetic and Ascorbic Acid as Natural Polymer Additives
    Dalal K. Thbayh, Edina Reizer, Mousumi U. Kahaly, Béla Viskolcz, Béla Fiser
    Polymers, 2022
  • Computational study of synthetic and natural polymer additives — Antioxidant potential of BHA, TBHQ, BHT, and curcumin
    Dalal K. Thbayh, Béla Fiser
    Polymer Degradation and Stability, 2022
  • Study the structural and electrical properties of prepared PANI/TiO2 nanocomposites for electronic devices
    R. A. Talib, K. A. Mohammed, D. K. Thbayh, and
    Journal of Ovonic Research, 2022
  • Study the Optical and Morphological Properties of Prepared PANI/TiO2 Nanocomposites
    Rawnaq A. Talib, Dalal K. Thbayh, Kahtan A. Mohammed
    Materials Science Forum, 2022
  • The effect of polyaniline addition on ZnO for the fabrication of high performance photodetection
    Dalal K Thbayh, Rawnaq A Talib, Kareema M Ziadan
    Iop Conference Series Materials Science and Engineering, 2020
  • Optical properties of incorporating of ZnO nano-particles on the dopant poly(o-toluidine)
    Rawnaq A. Talib, Dalal K. Thbayh, Kareema M. Ziadan
    Materials Today Proceedings, 2020
  • Structure and electrical properties of ZnO nanoparticles blend with POT-DBSA
    Dalal K. Thbayh, Rawnaq A. Talib, Dalal N. Ahilfi, Tahseen A. Alaridhee, Kareema M. Ziadan
    Materials Science Forum, 2020
  • Optical properties of conducting polymer poly(O-toluidine)-DBSA blended with polyethylene oxide
    Dalal K. Thbayh, Kareema M. Ziadan
    Ukrainian Journal of Physics, 2018

RECENT SCHOLAR PUBLICATIONS

  • Reply to: Letter to the editor of Heliyon re Comparative study of the antioxidant capability of EDTA and Irganox.[Heliyon. 2023; 9 (5): e16064]
    DK Thbayh, M Palusiak, B Viskolcz, B Fiser
    Heliyon 11 (13) , 2025
    2025
  • Antituberculosis, antimicrobial, antioxidant, cytotoxicity and anti-inflammatory activity of Schiff base derived from 2, 3-diaminophenazine moiety and its metal (II) complexes …
    SM Bufarwa, RM El-Sefait, DK Thbayh, M Belaidi, RK Al-Shemary, ...
    Reviews in Inorganic Chemistry 45 (1), 105-124 , 2025
    2025
    Citations: 39
  • Computational and Experimental Study of Antioxidant Polymer Additives
    DK Thbayh
    Miskolci Egyetem , 2025
    2025
  • Computational approach: 3D-QSAR, molecular docking, molecular dynamics simulation investigations, drug-like-ness, and DFT score evaluation of a potential novel and …
    B Mustapha, T Noureddine, D Mohammed, S Bufarwa, DK Thbayh
    Karbala International Journal of Modern Science 11 (2), 9 , 2025
    2025
    Citations: 14
  • Anticancer activity, DFT, molecular docking, ADMET, and molecular dynamics simulations investigations of schiff base derived from 2, 3‐diaminophenazine and its metal complexes
    SM Bufarwa, M Belaidi, LM Abbass, DK Thbayh
    Applied Organometallic Chemistry 39 (1), e7953 , 2025
    2025
    Citations: 46
  • α-Tocopherol and Trolox as Effective Natural Additives for Polyurethane Foams: A DFT and Experimental Study
    DK Thbayh, D Mentes, ZR Boros, M Palusiak, L Farkas, B Viskolcz, ...
    Molecules 29 (24), 6037 , 2024
    2024
    Citations: 9
  • Exploring the potential of ethylenediaminetetraacetic acid as a stabilizer for polyvinyl chloride
    BF Dalal K. Thbayh, Kitti Bartha, Csaba Kónya, Peter Bagi, R. Zsanett Boros ...
    Doktorandusz Almanach 1 (4), 173-178 , 2024
    2024
  • Fabrication and characterization of novel glass-ionomer cement prepared from oyster shells
    KK Thbayh, RM AlBadr, KM Ziadan, DK Thbayh, SM Mohi, B Fiser
    Scientific Reports 14 (1), 24083 , 2024
    2024
    Citations: 3
  • Investigation on the influence of waste-based fillers on the mechanical and thermal characteristics of rigid polyurethane foams
    MC Muhsen, AJ Mohammed, ZT AL-Malki, DK Thbayh
    EUREKA: Physics and Engineering, 173-183 , 2024
    2024
  • Monoethanolamine assisted CO2 hydrogenation to methanol–A computational study
    R Hadjadj, IG Csizmadia, HQ Waleed, DK Thbayh, B Viskolcz, B Fiser
    Molecular Catalysis 559, 114091 , 2024
    2024
    Citations: 1
  • Theoretical and Experimental Study of Antioxidant Additives
    BF Dalal K. Thbayh, Béla Viskolcz
    Symposium on Polymer(s) Innovation 2024 & Energy, Mitigation, Storage … , 2024
    2024
  • Investigating Collagen as a Bio-Material by Molecular Dynamics Simulations
    D Zakaraia, DK Thbayh, B Fiser, MC Owen
    Hungarian Materials and Chemical Sciences and Engineering 47 (1), 118-127 , 2023
    2023
    Citations: 1
  • ANTIOXIDANT ACTIVITY OF EDTA AND IRGANOX AS SYNTHETIC ADDITIVES
    BF Dalal K. Thbayha, Marcin Palusiak, Béla Viskolcz
    The Doctoral Symposium on Chemistry in Lodz , 2023
    2023
  • Comparative study of the antioxidant capability of EDTA and Irganox
    DK Thbayh, M Palusiak, B Viskolcz, B Fiser
    Heliyon 9 (5) , 2023
    2023
    Citations: 18
  • Insights into the Antioxidant Capability for the Synthetic Additives_ butylated hydroxyanisole (BHA)
    DK Thbayh, B Fiser
    Doktorandusz Almanach PhD Students Almanach, 70 , 2023
    2023
  • Antioxidant additives and their potential to enhance the properties of polymers
    DKT Béla Fiser
    PhD Students Almanach, University of Miskoc, Faculty of Materials and … , 2022
    2022
  • Antioxidant potential of santowhite as synthetic and ascorbic acid as natural polymer additives
    DK Thbayh, E Reizer, MU Kahaly, B Viskolcz, B Fiser
    Polymers 14 (17), 3518 , 2022
    2022
    Citations: 17
  • Study the Optical and Morphological Properties of Prepared PANI/TiO 2 Nanocomposites
    RA Talib, DK Thbayh, KA Mohammed
    Materials Science Forum 1065, 101-108 , 2022
    2022
    Citations: 7
  • Computational study of synthetic and natural polymer additives—Antioxidant potential of BHA, TBHQ, BHT, and curcumin
    DK Thbayh, B Fiser
    Polymer Degradation and Stability 201, 109979 , 2022
    2022
    Citations: 56
  • Study the structural and electrical properties of prepared PANI/TiO2 nanocomposites for electronic devices
    RA Talib, KA Mohammed, DK Thbayh
    Journal of Ovonic https://doi. org/10.15251/JOR 389 , 2022
    2022
    Citations: 7

MOST CITED SCHOLAR PUBLICATIONS

  • Computational study of synthetic and natural polymer additives—Antioxidant potential of BHA, TBHQ, BHT, and curcumin
    DK Thbayh, B Fiser
    Polymer Degradation and Stability 201, 109979 , 2022
    2022
    Citations: 56
  • Anticancer activity, DFT, molecular docking, ADMET, and molecular dynamics simulations investigations of schiff base derived from 2, 3‐diaminophenazine and its metal complexes
    SM Bufarwa, M Belaidi, LM Abbass, DK Thbayh
    Applied Organometallic Chemistry 39 (1), e7953 , 2025
    2025
    Citations: 46
  • Antituberculosis, antimicrobial, antioxidant, cytotoxicity and anti-inflammatory activity of Schiff base derived from 2, 3-diaminophenazine moiety and its metal (II) complexes …
    SM Bufarwa, RM El-Sefait, DK Thbayh, M Belaidi, RK Al-Shemary, ...
    Reviews in Inorganic Chemistry 45 (1), 105-124 , 2025
    2025
    Citations: 39
  • Comparative study of the antioxidant capability of EDTA and Irganox
    DK Thbayh, M Palusiak, B Viskolcz, B Fiser
    Heliyon 9 (5) , 2023
    2023
    Citations: 18
  • Antioxidant potential of santowhite as synthetic and ascorbic acid as natural polymer additives
    DK Thbayh, E Reizer, MU Kahaly, B Viskolcz, B Fiser
    Polymers 14 (17), 3518 , 2022
    2022
    Citations: 17
  • Computational approach: 3D-QSAR, molecular docking, molecular dynamics simulation investigations, drug-like-ness, and DFT score evaluation of a potential novel and …
    B Mustapha, T Noureddine, D Mohammed, S Bufarwa, DK Thbayh
    Karbala International Journal of Modern Science 11 (2), 9 , 2025
    2025
    Citations: 14
  • α-Tocopherol and Trolox as Effective Natural Additives for Polyurethane Foams: A DFT and Experimental Study
    DK Thbayh, D Mentes, ZR Boros, M Palusiak, L Farkas, B Viskolcz, ...
    Molecules 29 (24), 6037 , 2024
    2024
    Citations: 9
  • Optical properties of incorporating of ZnO nano-particles on the dopant poly (o-toluidine)
    RA Talib, DK Thbayh, KM Ziadan
    Materials Today: Proceedings 20, 433-438 , 2020
    2020
    Citations: 8
  • Study the Optical and Morphological Properties of Prepared PANI/TiO 2 Nanocomposites
    RA Talib, DK Thbayh, KA Mohammed
    Materials Science Forum 1065, 101-108 , 2022
    2022
    Citations: 7
  • Study the structural and electrical properties of prepared PANI/TiO2 nanocomposites for electronic devices
    RA Talib, KA Mohammed, DK Thbayh
    Journal of Ovonic https://doi. org/10.15251/JOR 389 , 2022
    2022
    Citations: 7
  • ANTIOXIDANT POTENTIAL OF BUTYLATED HYDROXYTOLUENE (BHT) – A THEORETICAL STUDY
    DKTARB FISER
    Materials Science and Engineering 46 (No. 1), pp. 63–69. , 2021
    2021
    Citations: 5
  • The Electrical Properties of Poly (o-toluidine) Doped with DBSA Blend with Polyethylene Oxide PEO as Nano Conducting Polyblend
    DKT Kareema M Ziadan
    Advances in Physics Theories and Applications 42 (2225-0638) , 2015
    2015
    Citations: 5
  • The effect of polyaniline addition on ZnO for the fabrication of high performance photodetection
    DK Thbayh, RA Talib, KM Ziadan
    IOP Conference Series: Materials Science and Engineering 757 (1), 012074 , 2020
    2020
    Citations: 4
  • Fabrication and characterization of novel glass-ionomer cement prepared from oyster shells
    KK Thbayh, RM AlBadr, KM Ziadan, DK Thbayh, SM Mohi, B Fiser
    Scientific Reports 14 (1), 24083 , 2024
    2024
    Citations: 3
  • Optical properties of conducting polymer poly (O-toluidine)-DBSA blended with polyethylene oxide
    DK Thbayh, KM Ziadan
    Ukrainian journal of physics 63 (3), 263-263 , 2018
    2018
    Citations: 3
  • Effect of Laser Energy on Optical and Morphological Properties of Gold Nanoparticles
    KA Mohammed, AA Habieb, AO Swary, DN Ahilfi, DK Thbayh
    Advanced Science, Engineering and Medicine 12 (7), 989-993 , 2020
    2020
    Citations: 2
  • Monoethanolamine assisted CO2 hydrogenation to methanol–A computational study
    R Hadjadj, IG Csizmadia, HQ Waleed, DK Thbayh, B Viskolcz, B Fiser
    Molecular Catalysis 559, 114091 , 2024
    2024
    Citations: 1
  • Investigating Collagen as a Bio-Material by Molecular Dynamics Simulations
    D Zakaraia, DK Thbayh, B Fiser, MC Owen
    Hungarian Materials and Chemical Sciences and Engineering 47 (1), 118-127 , 2023
    2023
    Citations: 1
  • Chitosan doping by Nicotine as the active layer in the Solar Cell
    FH Malik, DK Thbayh
    University of Aden Journal of Natural and Applied Sciences 25 (2), 331-339 , 2021
    2021
    Citations: 1
  • Excellent Anti-bacterial Activity of Poly (o-toluidine)-DBSA/ZnO Nanocomposite
    DK Thbayh, RA Talib, EH Al–Tememe
    Synthesis 81 , 2019
    2019
    Citations: 1