All Stories

  1. Design, characterization, and catalytic-antioxidant evaluation of novel Cu/M (M = Co, Ni, Zn, Ag) heterobimetallic complexes derived from thiazole-phthalimide ligand: Experimental, electrochemical, and DFT insights

    Article • Journal of Molecular Structure, April 2026, Elsevier

    Asmaa M Fahim

  2. Synthesis-controlled polymorphism in bis(Benzylammonium) Tetrathiocyanatocobaltate(II): Distinct crystal packing (C2/c vs. P21) dictates band gap energy and superior antimicrobial performance with computational investigation

    Article • Journal of Molecular Structure, March 2026, Elsevier

    Asmaa M Fahim

  3. A novel ruthenium(VI) benzylidene carbene complex: Synthesis, crystal structure, hirshfeld surface, electrochemical behavior, and DFT insights

    Article • Journal of Molecular Structure, February 2026, Elsevier

    Asmaa M Fahim

  4. Crystal description, vibrational and DFT investigation of a new organic-inorganic compound based on Sn(IV): Bis(3.5-dimethylanilinium) hexachloridostannate (IV) dihydrate (C8H11N)2[SnCl6]·2H2O

    Article • Journal of Molecular Structure, February 2026, Elsevier

    Asmaa M Fahim

  5. Targeting CT-DNA with Novel Dafone–Pd(II) Complexes: In Vitro Cytotoxicity, In Vivo Efficacy, and Computational Insight

    Article • Journal of Medicinal Chemistry, December 2025, American Chemical Society (ACS)

    Asmaa M Fahim

  6. One-pot three-component Synthesis, Structural characterization, Computational investigation, and anti-cancer evaluation of some novel benzo[g][1,3,5]oxadiazocine pyridine carboxamide hybrids

    Article • Journal of Molecular Structure, December 2025, Elsevier

    Asmaa M Fahim, Professor Kamal M Dawood

  7. Synthesis, theoretical investigation, and anti-proliferative assessment of novel fused heterocyclic cellulosic derivatives in colorectal Caco-2 cells via suppressing the IL6/STAT3 pathway

    Article • Journal of Molecular Structure, December 2025, Elsevier

    Asmaa M Fahim

  8. Sensing platform based on RGO/cellulose-triazole composite for the electrochemical detection of mercury (II) ions in food samples

    Article • Microchemical Journal, August 2025, Elsevier

    Asmaa M Fahim

  9. Structure-based drug design; Computational strategies in drug discovery; Antihypertensive agents; Antiviral drugs; Molecular docking; QSAR; Pharmacological insights

    Article • Computational Biology and Chemistry, August 2025, Elsevier

    Asmaa M Fahim

  10. The Effect of Anion, Steric Factors on the Catalytic Activity of Hydrogen Peroxide, Biological Activities, Docking, and DFT Calculations of Novel Mixed Ligand of Copper Complexes

    Article • Applied Organometallic Chemistry, May 2025, Wiley

    Asmaa M Fahim

  11. Unreported Biginelli product with potent antifungal activity: Synthesis, DFT insights, and docking simulation analysis

    Article • Journal of Molecular Structure, May 2025, Elsevier

    Asmaa M Fahim, Professor Kamal M Dawood

  12. Antimicrobial, antioxidant activities and ADME studies of novel BaSnO3 sulphone cellulose with docking simulation

    Article • Journal of Molecular Structure, March 2025, Elsevier

    Asmaa M Fahim

  13. New mercaptopyrimidine derivatives synthesized with expected antimicrobial and antioxidant properties and theoretical study

    Article • Journal of Molecular Structure, March 2025, Elsevier

    Asmaa M Fahim

  14. Synthesis, X-ray, Hirshfeld surface analysis, computational investigations, electrochemical analysis, ADME investigations, and insecticidal activities utilized docking simulation of kite-like 2,4,6-triarylpyridine

    Article • Journal of Molecular Structure, February 2025, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim, Professor Sameh Ahmed Rizk

  15. Synthesis, DFT investigation, molecular docking analysis, ADMET studies, and biological evaluation of a novel series of imidazolidinone derivatives as potential antimicrobial agents

    Article • Journal of Molecular Structure, February 2025, Elsevier

    Asmaa M Fahim

  16. Novel Schiff base Cu( ii ) and Au( iii ) complexes: spectroscopic, computational, and electrochemical insights for H 2 ...

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Asmaa M Fahim

  17. Carrageenan grafted with acrylic acid and sulfonamide induces apoptosis and suppresses proliferation in A549 lung cancer cells: synthesis, cytotoxicity, gene expression, and in silico studies

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Asmaa M Fahim

  18. Novel thiazole–phthalimide-based heterobimetallic Cu( ii )–M( ii ) complexes: synthesis, characterization, and therapeutic properties against arsenic-...

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Asmaa M Fahim

  19. Exploring novel bromo heterocyclic scaffold and theoretical explanation of their biological actions

    Article • Journal of Molecular Structure, December 2024, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  20. Synthesis, In Silico Studies, Antimicrobial, Antioxidant Activities, Docking Simulation, and Computational Analysis of Novel Acrylamide Derivatives

    Article • Russian Journal of General Chemistry, August 2024, Pleiades Publishing Ltd

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  21. Exploring novel benzene sulfonamide derivatives: Synthesis, ADME studies, anti-proliferative activity, docking simulation, and emphasizing theoretical investigations

    Article • Journal of the Indian Chemical Society, August 2024, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  22. Comparative, synthesis, ADME studies, and electrochemical studies, of the divalent and monovalent binuclear complexes of malonate derivatives

    Article • Journal of Molecular Structure, June 2024, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  23. Electrochemical studies: Biological evaluation of the homometallic‐binuclear complexes of malonate‐derived tetradentate O2N2 ligand

    Article • Applied Organometallic Chemistry, January 2024, Wiley

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  24. Unexpected products using Biginelli reaction: Synthesis, antimicrobial potency, docking simulation, and DFT investigations of some new amidopyridines

    Article • Journal of Molecular Structure, January 2024, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim, Professor Kamal M Dawood

  25. Supramolecular assembly involving weak hydrogen bonds, anti-parallel π···π stacking and O···C tetrel bonding interactions and LOX studies in a 1H-pyrazol-1-yl)thiazole-4-carboxylate derivative: An experimental and theoretical study

    Article • Journal of Molecular Structure, January 2024, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  26. Novel pyrazole and imidazolone compounds: synthesis, X-ray crystal structure with theoretical investigation of new pyrazole and imidazolone compounds anticipated insecticide’s activities against targeting Plodia interpunctella and nilaparvata...

    Article • RSC Advances, January 2024, Royal Society of Chemistry

    Prof Dr Asmaa M Fahim, Asmaa M Fahim, Professor Sameh Ahmed Rizk

  27. Construction, molecular docking simulation and evaluation of electrochemical properties of polymeric nanospheres comprising novel synthesized monomer via green microemulsion polymerization

    Article • Polymers for Advanced Technologies, December 2023, Wiley

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  28. Novel bis pyrimidine-pyrazolone and pyridinyl-4,5-dihydropyrimido[2,1[1]-c,1,2,4]triazepine utilized ultrasonic energy, anti-proliferative activity, docking simulation, and theoretical investigation

    Article • Journal of Molecular Structure, December 2023, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  29. Synthesis, biological activities, molecular docking, theoretical calculations of some 1,3,4-oxadiazoles, 1,2,4-triazoles, and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines derivatives

    Article • Journal of Molecular Structure, July 2023, Elsevier

    Asmaa M Fahim

  30. Regioselective synthesis and computational calculation studies of some new pyrazolyl‐pyridine and bipyridine derivatives

    Article • Journal of Heterocyclic Chemistry, June 2023, Wiley

    Professor Kamal M Dawood, Prof Dr Asmaa M Fahim, Asmaa M Fahim

  31. Synthesis, antioxidant activity, docking simulation, and computational investigation of novel heterocyclic compounds and Schiff bases from picric acid

    Article • Journal of Molecular Structure, June 2023, Elsevier

    Asmaa M Fahim

  32. Synthesis, antimicrobial activity, theoretical investigation, and electrochemical studies of cellulosic metal complexes

    Article • Journal of the Iranian Chemical Society, April 2023, Springer Science + Business Media

    Asmaa M Fahim

  33. Anti-proliferative activity, molecular docking study of novel synthesized ethoxyphenylbenzene sulfonamide with computational calculations

    Article • Journal of Molecular Structure, April 2023, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  34. Synthesis, antimicrobial, antitumor activity, docking simulation, theoretical studies, and electrochemical analysis of novel Cd(II), Co(II), Cu(II), and Fe(III) complexes containing barbituric moiety

    Article • Applied Organometallic Chemistry, February 2023, Wiley

    Asmaa M Fahim

  35. Synthesis, reactions and application of chalcones: a systematic review

    Article • Organic & Biomolecular Chemistry, January 2023, Royal Society of Chemistry

    Professor Sameh Ahmed Rizk, Asmaa M Fahim

  36. Synthesis, spectral investigation, biological activities and docking stimulation of novel metal complexes of Trifluoro phenylthiazol derivative with computational studies

    Article • Journal of Molecular Structure, January 2023, Elsevier

    Asmaa M Fahim

  37. Antioxidant activity of novel nitrogen scaffold with docking investigation and correlation of DFT stimulation

    Article • RSC Advances, January 2023, Royal Society of Chemistry

    Asmaa M Fahim, Professor Sameh Ahmed Rizk

  38. A new approach to chromeno[4,3-b]pyridine: Synthesis, X-ray, spectral investigations, hirshfeld surface analysis, and computational studies

    Article • Journal of Physics and Chemistry of Solids, November 2022, Elsevier

    Asmaa M Fahim, Professor Sameh Ahmed Rizk

  39. Synthesis, anti-cancer activity, gene expression and docking stimulation of 2-thioxoimidazolidin-4-one derivatives

    Article • Journal of Molecular Structure, October 2022, Elsevier

    Asmaa M Fahim

  40. Spectroscopic studies, DFT calculations, Cytotoxicity activity, docking stimulation of novel metal complexes of Schiff base ligand of isonicotinohydrazide derivative

    Article • Applied Organometallic Chemistry, April 2022, Wiley

    nelly hussein, Asmaa M Fahim

  41. Synthesis of novel d-α-galactopyranosyl-l-seryl/l-threonyl-l-alanyl-l-alanine as useful precursors of new glycopeptide antibiotics with computational calculations studies

    Article • Carbohydrate Research, April 2022, Elsevier

    Dr. Shaymaa Emam Kassab, Asmaa M Fahim

  42. Crystal structure, Hirshfeld surface analysis and computational study of three 2-(4-arylthiazol-2-yl)isoindoline-1,3-dione derivatives

    Article • Molecular Crystals and Liquid Crystals, March 2022, Taylor & Francis

    Asmaa M Fahim

  43. Synthesis, characterization, thermal studies, electrochemical behavior, antimicrobial, docking studies, and computational simulation of triazole‐thiol metal complexes

    Article • Applied Organometallic Chemistry, March 2022, Wiley

    Asmaa M Fahim

  44. Synthesis, anti‐proliferative activities, docking studies, and DFT calculations of novel isonicotinic mixed complexes

    Article • Applied Organometallic Chemistry, January 2022, Wiley

    Asmaa M Fahim

  45. Synthesis of Cu-Porphyrazines by Annulated Diazepine Rings with Electrochemical, Conductance Activities and Computational Studies

    Article • Journal of Inorganic and Organometallic Polymers and Materials, October 2021, Springer Science + Business Media

    Asmaa M Fahim

  46. Experimental and theoretical studies of some propiolate esters derivatives

    Article • Journal of Molecular Structure, July 2021, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  47. Synthesis, antimicrobial, anti-proliferative activities, molecular docking and DFT studies of novel pyrazolo[5,1-c][1, 2, 4]triazine-3-carboxamide derivatives

    Article • Journal of Biomolecular Structure and Dynamics, June 2021, Taylor & Francis

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  48. Synthesis of novel β-lactams: Antioxidant activity, acetylcholinesterase inhibition and computational studies

    Article • Journal of Molecular Structure, June 2021, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  49. Synthesis, antimicrobial and antiproliferative activities, molecular docking, and computational studies of novel heterocycles

    Article • Journal of the Iranian Chemical Society, April 2021, Springer Science + Business Media

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  50. Studies on hydrogen bonding of adrenaline/acetone and adrenaline/methanol complexes: computational and experimental approach

    Article • Structural Chemistry, April 2021, Springer Science + Business Media

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  51. Performance efficiency of MIPOH polymers as organic filler on cellulose pulp waste to form cellulosic paper sheets with biological evaluation and computational studies

    Article • Polymer Bulletin, April 2021, Springer Science + Business Media

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  52. Electrochemical Detection of Endosulfan Using an AONP-PANI-SWCNT Modified Glassy Carbon Electrode

    Article • Materials, February 2021, MDPI AG

    Prof Dr Asmaa M Fahim, Asmaa M Fahim, Professor Eno E Ebenso

  53. Theoretical investigation on hydrogen bond interaction between adrenaline and hydrogen sulfide

    Article • Journal of Molecular Modeling, November 2020, Springer Science + Business Media

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  54. Synthesis, Antitumor Activity, Molecular Docking and DFT Study of Novel Pyrimidiopyrazole Derivatives

    Article • Current Computer - Aided Drug Design, September 2020, Bentham Science Publishers

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  55. Preparation and characterization of novel antibacterial blended films based on modified carboxymethyl cellulose/phenolic compounds

    Article • Polymer Bulletin, March 2020, Springer Science + Business Media

    Asmaa M Fahim

  56. Molecularly Imprinted Polymer and Computational Study of (E)-4-(2- cyano-3-(dimethylamino)acryloyl)benzoic Acid from Poly(ethylene terephthalate) Plastic Waste

    Article • Current Analytical Chemistry, February 2020, Bentham Science Publishers

    Prof Dr Asmaa M Fahim, Jerzy Lukaszewicz, Asmaa M Fahim

  57. Synthesis, anti-proliferative activity, computational studies of tetrazole cellulose utilizing different homogenous catalyst

    Article • Carbohydrate Polymers, February 2020, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  58. Synthesis, antimicrobial evaluation, molecular docking and theoretical calculations of novel pyrazolo[1,5-a]pyrimidine derivatives

    Article • Journal of Molecular Structure, January 2020, Elsevier

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  59. Oil removal from produced water by agriculture waste adsorbents

    Article • International Journal of Environment and Waste Management, January 2020, Inderscience Publishers

    Prof Dr Asmaa M Fahim, Professor Abdalrahman D Alsulaili, Asmaa M Fahim

  60. Microwave-assisted synthesis of novel 5-aminouracil-based compound with DFT calculations

    Article • Journal of Molecular Structure, April 2019, Elsevier

    Prof Dr Asmaa M Fahim, Dr Asmaa M Fahim, Asmaa M Fahim

  61. Synthesis, antimicrobial activity and quantum calculations of Novel sulphonamide derivatives

    Article • Egyptian Journal of Chemistry, February 2019, Egypts Presidential Specialized Council for Education and Scientific Research

    Prof Dr Asmaa M Fahim, Dr Asmaa M Fahim, Asmaa M Fahim

  62. Microwave Assisted Synthesis of

    Article • Current Microwave Chemistry, January 2019, Bentham Science Publishers

    Dr Asmaa M Fahim, Prof Dr Asmaa M Fahim, Asmaa M Fahim

  63. Chemistry of terephthalate derivatives: a review

    Article • International Journal of Environment and Waste Management, January 2019, Inderscience Publishers

    Prof Dr Asmaa M Fahim, Asmaa M Fahim

  64. Synthesis and DFT calculations of aza-Michael adducts obtained from degradation poly(methyl methacrylate) plastic wastes

    Article • International Journal of Environment and Waste Management, January 2019, Inderscience Publishers

    Asmaa M Fahim

  65. Synthesis, Biological Evaluation and DFT Calculation of Novel Pyrazole and Pyrimidine Derivatives

    Article • Journal of Molecular Structure, November 2018, Elsevier

    Dr Asmaa M Fahim, Prof Dr Asmaa M Fahim, Asmaa M Fahim

  66. Synthesis, Biological Evaluation, Molecular docking and DFT Calculations of Novel Benzenesulfonamide derivatives

    Article • Journal of Molecular Structure, August 2018, Elsevier

    Prof Dr Asmaa M Fahim, Dr Asmaa M Fahim, Asmaa M Fahim

  67. Some new metal(II) complexes based on bis-Schiff base ligand derived from 2-acetylethiophine and 2,6-diaminopyridine: Syntheses, structural investigation, thermal, fluorescence and catalytic activity studies

    Article • Journal of Molecular Structure, July 2018, Elsevier

    Asmaa M Fahim

  68. Regioselective Synthesis of Novel Fused Sulphonamide Derivatives Utilizing Microwave Irradiation

    Article • Current Microwave Chemistry, April 2018, Bentham Science Publishers

    Dr Asmaa M Fahim, Prof Dr Asmaa M Fahim, Asmaa M Fahim

  69. Synthesis and DFT study of novel pyrazole, thiophene, 1,3-thiazole and 1,3,4-thiadiazole derivatives

    Article • European Journal of Chemistry, March 2018, European Journal of Chemistry

    Dr Asmaa M Fahim, Prof Dr Asmaa M Fahim, Asmaa M Fahim

  70. Sun degradation and synthesis of new antimicrobial and antioxidant utilising poly (ethylene terephthalate) waste

    Article • International Journal of Environment and Waste Management, January 2018, Inderscience Publishers

    Prof Dr Asmaa M Fahim, Dr Asmaa M Fahim, Asmaa M Fahim

  71. Sun degradation and synthesis of new antimicrobial and antioxidant utilising poly (ethylene terephthalate) waste

    Article • International Journal of Environment and Waste Management, January 2018, Inderscience Publishers

    Dr Asmaa M Fahim, Prof Dr Asmaa M Fahim, Asmaa M Fahim

  72. Microwave Assisted Regioselective Synthesis and Biological Evaluation of Pyrano[2,3-c]Pyridine Derivatives Utilizing DMAP as a Catalyst

    Article • OnLine Journal of Biological Sciences, April 2017, Science Publications

    Dr Asmaa M Fahim, Prof Dr Asmaa M Fahim, Asmaa M Fahim

  73. chemistry, synthesis

    Article • Applied Organometallic Chemistry, January 2017, Wiley

    fatma El-Samahy, Dr Asmaa M Fahim, Prof Dr Asmaa M Fahim, Asmaa M Fahim

  74. Synthesis, Biological Evaluation of 1,3,4-Oxadiazole, Triazole and Uracil Derivatives from Poly (ethylene terephthalate) Waste

    Article • Egyptian Journal of Chemistry, June 2016, Egypts Presidential Specialized Council for Education and Scientific Research

    Dr Asmaa M Fahim, Asmaa M Fahim

  75. FACILE SYNTHESIS OF IN-VIVO INSECTICIDAL AND ANTIMICROBIAL EVALUATION OF BIS HETEROCYCLIC MOIETY FROM PET WASTE

    Article • OnLine Journal of Biological Sciences, March 2014, Science Publications

    prof. galal A.M. nawwar, Dr Asmaa M Fahim, Prof Dr Asmaa M Fahim, Asmaa M Fahim