فاطمه آبيار فيروزآبادي

Journal Paper

1. "Experimental and theoretical studies of salophen Schiff base ligands derived from 4-nitro-o-phenylenediamine: Docking and ADME studies, structural integrity, and functional properties of DNA and BSA"
   Hadi Kargar shouroki, Maciej Kubicki, Fatemeh Abyar Firouzabadi, Hamid Reza Zare-Mehrjardi, Muhammad Ashfaq, Khurram Shahzad Munawar, Mehdi Fallah-Mehrjardi
   Results in Chemistry, Vol. 19, 2026
2. "Synthesis SC-XRD HSA DFT Calculations and Molecular Docking Studies of a New CuI Complex Bearing the Bidentate Schiff Base Derived from Trimethylenediamine and 4-Cyanobenzaldehyde"
   Hadi Kargar shouroki, Fatemeh Abyar Firouzabadi, M. FallahMehrjardi, E. Acar, N. Dege, M. Ashfaq, K.S. Munawar, M.N. Tahir
   Physical Chemistry Research, Vol. 14, 2026
3. "A novel CuI coordination polymer featuring a trimethylenediamine Schiff base ligand: Structural, spectroscopic, theoretical, and molecular docking studies"
   Hadi Kargar shouroki, Mehdi Fallah-Mehrjardi, Fatemeh Abyar Firouzabadi, Necmi Dege, Ersin Acar, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir
   INORGANICA CHIMICA ACTA, Vol. 589, 2026
4. "Experimental and theoretical studies of isoniazid hydrazone Schiff base ligands: Synthesis, single crystal X-ray diffraction, spectral characterization, DFT, and molecular docking calculations"
   Hadi Kargar shouroki, Emmanuele Parisi, Mehdi Fallah-Mehrjardi, Roberto Centore, Emanuela Santagata, Paolo Pio Mazzeo, Fatemeh Abyar Firouzabadi, Akbar Omidvar, Khurram Shahzad Munawar
   JOURNAL OF MOLECULAR STRUCTURE, Vol. 1348, 2025
5. "Feasibility of Removing Salinity Ions from Saline Wastewater Containing Heavy Metals Lead and Zinc"
   Mohammad Reza Yazdani, Somayeh Soltani-Gerdefaramarzi, Mohsen Ghasemi, Fatemeh Abyar Firouzabadi
   Vol. 19, pp.395-408, 2025
6. "Tetradentate Schiff base complexes from 4,5-dimethyl-1,2-phenylenediamine: SC-XRD, HSA, DFT, and molecular docking investigations"
   Hadi Kargar shouroki, Maciej Kubicki, Mehdi Fallah-Mehrjardi, Fatemeh Abyar Firouzabadi, Sana Yarahmadi, Hamid R. Shahsavari, Khurram Shahzad Munawar, Muhammad Ashfaq
   JOURNAL OF MOLECULAR STRUCTURE, Vol. 1353, 2025
7. "Preparation, analysis, and triple kinetic parameters determination for the thermal decomposition of a novel azido ether energetic plasticizer: Bis(3-azido-2,2-bis(azidomethyl)propoxy) methane"
   Abrishami Fatemeh , Khakpour Pouria , Narges Zohari , atefeh soufi, Fatemeh Abyar Firouzabadi
   Physical Chemistry Research, Vol. 13, 2025
8. "Spectroscopic Study of Vitamin B2 and Its Active Forms with SAC-CI Method"
   Fatemeh Abyar Firouzabadi, Leila Tabrizi
   Physical Chemistry Research, Vol. 13, 2025
9. "Indium(III) complex with NOON-tetradentate Schiff base ligand: Synthesis, crystal structure determination, electrochemical properties, theoretical studies, and molecular docking"
   Hadi Kargar shouroki, Fatemeh Abyar Firouzabadi, Hamid Reza Zare-Mehrjardi, Mehdi Fallah-Mehrjardi, Khurram Shahzad Munawar, Muhammad Ashfaq, Muhammad Nawaz Tahir
   Results in Chemistry, Vol. 18, 2025
10. "Spectroscopic, structural, theoretical, and molecular docking studies of Zn(II), Cu(II), and Ni(II) complexes incorporating a symmetrical N2O2 tetradentate Schiff base ligand"
    Hadi Kargar shouroki, Maciej Kubicki, Mehdi Fallah-Mehrjardi, Fatemeh Abyar Firouzabadi, Khurram Shahzad Munawar, Muhammad Ashfaq
    JOURNAL OF MOLECULAR STRUCTURE, Vol. 1342, 2025
11. ""
    الهام اسدي, Fatemeh Abyar Firouzabadi, فاطمه ابريشمي
    Environment and Water Engineering, 2025
12. "Synthesis, characterization, electrochemical, and theoretical investigation of nitro-substituted salophen Schiff base complexes"
    Hadi Kargar shouroki, Maciej Kubicki, Mehdi Fallah-Mehrjardi, Hamid Reza Zare-Mehrjardi, Fatemeh Abyar Firouzabadi, Khurram Shahzad Munawar, Muhammad Ashfaq
    INORGANICA CHIMICA ACTA, Vol. 590, 2025
13. "Coordination polymer of CuI incorporating a bidentate Schiff base ligand: Synthesis, SC-XRD, HSA, DFT calculations, and molecular docking studies"
    Hadi Kargar shouroki, Mehdi Fallah-Mehrjardi, Fatemeh Abyar Firouzabadi, Akbar Omidvar, Necmi Dege, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir
    JOURNAL OF MOLECULAR STRUCTURE, Vol. 1349, 2025
14. "Geometric, electronic and spectral properties of germanium and Eu-doped germanium clusters"
    Fatemeh Abyar Firouzabadi, Fatemeh Bamdadi, Reza Behjatmanesh
    Computational and Theoretical Chemistry, 2022
15. "Improvement strategies on metal-organic frameworks (IFMC-1) as adsorbent and its kinetic study for dye pollutant removal and wastewater treatment"
    Elham Asadi, Fatemeh Abrishami, Fatemeh Abyar Firouzabadi
    JOURNAL OF COORDINATION CHEMISTRY, pp.1-15, 2022
16. "Electronic structure analysis of riboflavin: OVGF and EOM-CCSD study"
    Fatemeh Abyar Firouzabadi, Igor Novak
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, Vol. 264, 2022
17. "Investigation on the electronic structures of thiamine and related compounds: Free base or salt?"
    Fatemeh Abyar Firouzabadi, Igor Novak
    JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, Vol. 430, 2022
18. "A comprehensive spectroscopic study of urocanic acid: OVGF and EOM-CCSD approaches"
    Fatemeh Abyar Firouzabadi, Igor Novak
    Computational and Theoretical Chemistry, Vol. 1201, 2021
19. "Structure and Electronic Properties of Gen and EuGen-1 Nanoclusters: A Full Potential DFT Study"
    Fatemeh bamdadi, Fatemeh Abyar Firouzabadi, Behjatmanesh-Ardakani Reza
    Vol. 20, pp.153-166, 2020
20. "Full Potential Study and Molecular Docking Interaction of Anticancer Drugs with Au"
    Fatemeh Abyar Firouzabadi, Bamdadi Fatemeh, Behjatmanesh-Ardakani reza
    Vol. 11, pp.287-296, 2020
21. "Electronic structure and characterization of the spectra of trans/cis tautomers of urocanic acid isomers: A diagnostic tool"
    Ali Sharifian, Fatemeh Abyar Firouzabadi, Reza Behjatmanesh
    JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, Vol. 400, 2020
22. "Conjugation of a gold( iii ) complex with vitamin B1 and chlorambucil derivatives anticancer evaluation and mechanistic insights"
    Leila Tabrizi, Fatemeh Abyar Firouzabadi
    Metallomics, pp.1-11, 2020
23. "New cyclometalated gold (III) complex targeting thioredoxin reductase exploring as cytotoxic agents and mechanistic insights"
    Fatemeh Abyar Firouzabadi, Leila Tabrizi
    BIOMETALS, pp.1-18, 2020
24. "A new mononuclear zinc(II) complex Crystal structure DNA- and BSA-binding and molecular modeling in vitro cytotoxicity of the Zn(II) complex and its nanocomplex"
    Marzieh Daryanavard, Zahra Jannesari, Mandana Javeri, Fatemeh Abyar Firouzabadi
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, Vol. 233, 2020
25. "An Experimental and Theoretical Study of Electron Energy Dissipation in a Flowing Stream"
    Majid Emami Meibodi, Mohammadreza Elahifard, Fatemeh Abyar Firouzabadi
    CHINESE JOURNAL OF PHYSICS, Vol. 68, pp.641-646, 2020
26. "De Novo Design of Cu(II) Complex Containing CNC-Pincer-Vitamin B3 and B7 Conjugates for Breast Cancer Application"
    Leila Tabrizi, Fatemeh Abyar Firouzabadi
    MOLECULAR PHARMACEUTICS, Vol. 16, pp.3802-3813, 2019
27. "Conformational analysis and electronic structure of folic acid: A theoretical study"
    Fatemeh Abyar Firouzabadi, Igor Novak
    JOURNAL OF MOLECULAR LIQUIDS, Vol. 276, pp.819-825, 2019
28. "Experimental and theoretical investigations of novel oxidovanadium(IV) juglone complex: DNA/HSA interaction and cytotoxic activity"
    Fatemeh Abyar Firouzabadi, Leila Tabrizi
    JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS, pp.1-14, 2019
29. "Synthesis and characterization of new unsymmetrical Schiff base Zn (II) and Co (II) complexes and study of their interactions with bovin serum albumin and DNA by spectroscopic techniques"
    Maryam Sedighipoor, Ali Hossein Kianfar, Mohammad R. Sabzalian, Fatemeh Abyar Firouzabadi
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, Vol. 198, pp.38-50, 2018
30. "Ionization of the Conformers of cis Nanotubular Cyclic Peptides in the Gas Phase Effect of Size and Conformation on Ionization"
    Sara Karachi, Hossein Farrokhpour, Fatemeh Abyar Firouzabadi
    JOURNAL OF THE CHINESE CHEMICAL SOCIETY, Vol. 65, pp.405-415, 2018
31. "Electronic Structure of Biotin Conformers Studied with SAC-CI and OVGF Methods"
    Fatemeh Abyar Firouzabadi, I. Novak
    JOURNAL OF PHYSICAL CHEMISTRY A, Vol. 122, pp.2079-2085, 2018
32. "New Multinuclear Scaffold Molybdocene-Gold Lidocaine Complex DNA/HSA Binding Molecular Docking Cytotoxicity and Mechanistic Insights"
    Fatemeh Abyar Firouzabadi, Leila Tabrizi
    JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS, Vol. 9999, pp.1-13, 2018
33. "Ionization of vitamin B6 in the gas phase and water Theoretical study"
    Fatemeh Abyar Firouzabadi, H. Farrokhpour
    JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, Vol. 336, pp.77-88, 2017
34. "An experimental and theoretical study on the interaction of DNA and BSA with novel Ni 2 Cu 2 and VO 2 complexes derived from vanillin bidentate Schiff base ligand"
    Morteza Dostani, Ali Hossein Kianfar, Wan Ahmad Kamil Mahmood, Mohammad Dinari, Hossein Farrokhpour, Mohammad R. Sabzalian, Fatemeh Abyar Firouzabadi, Mohammad Hossein Azarian
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, Vol. 180, pp.144-153, 2017
35. "Synthesis structure DNA/protein binding and cytotoxic activity of a rhodium(III) complex with 26-bis(2-benzimidazolyl)pyridine"
    Roya Esteghamat-Panah, Hassan Hadadzadeh, Hossein Farrokhpour, Jim Simpson, Amir Abdolmaleki, Fatemeh Abyar Firouzabadi
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, Vol. 127, pp.958-971, 2017
36. "Ionization of vitamin C in gas phase Theoretical study"
    Fatemeh Abyar Firouzabadi, Hossein Farrokhpour
    JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY, Vol. 160, pp.11-17, 2016
37. "An experimental and quantum chemical study on the non-covalent interactions of a cyclometallated Rh( iii ) complex with DNA and BSA"
    Roya Esteghamat-Panah, Hossein Farrokhpour, Hassan Hadadzadeh, Fatemeh Abyar Firouzabadi, Hadi Amiri Rudbari
    RSC Advances, Vol. 6, pp.23913-23929, 2016
38. "In situ generation of the gold nanoparticlesbovine serum albumin (AuNPsBSA) bioconjugated system using pulsed-laser ablation (PLA)"
    Roya Binaymotlagh, Hassan Hadadzadeh, Hossein Farrokhpour, Farid Hajareh Haghighi, Fatemeh Abyar Firouzabadi, Seyedeh Zohreh Mirahmadi-Zare
    MATERIALS CHEMISTRY AND PHYSICS, Vol. 177, pp.360-370, 2016
39. "Gas phase ionization energies of some important unsaturated steroids"
    Fatemeh Abyar Firouzabadi, Farrokhpour Hossien, Mahmood Tabrizchi
    STRUCTURAL CHEMISTRY, Vol. 26, pp.71-86, 2015
40. "Proteinligand interaction study of signal transducer smoothened protein with different drugs molecular docking and QM/MM calculations"
    Hossein Farrokhpour, Vahid Pakatchian, Abdolreza Hajipour, Fatemeh Abyar Firouzabadi, Alireza Najafi Chermahini, Farzaneh Fakhari
    RSC Advances, Vol. 5, pp.68829-68838, 2015
41. "Ionization energies and photoelectron spectra of fat-soluble vitamins in the gas phase a theoretical study"
    Fatemeh Abyar Firouzabadi, Hossein Farrokhpour
    RSC Advances, Vol. 4, pp.35975-35987, 2014
42. "Design Construction and Calibration of a Laser Ionization Time-of-Flight Mass Spectrometer"
    Mahmoud Tabrizchi, Hossien Farrokhpour, Fatemeh Abyar Firouzabadi, Hajar Azad, Maryam mirian, Vahideh Ilbeigi
    Physical Chemistry Research, Vol. 2, pp.202-216, 2014
43. "A rare dihydroxo copper (ii) complex with ciprofloxacin a combined experimental and ONIOM computational study of the interaction of the complex with DNA and BSA"
    Hossein Farrokhpour, Hassan Hadadzadeh, Farivash Darabi, Fatemeh Abyar Firouzabadi, Hadi Amiri Rudbari, Tahareh Ahmadi-Bagheri
    RSC Advances, Vol. 4, pp.35390-35404, 2014
44. "Symmetry adapted clusterconfiguration interaction calculation of the photoelectron spectra of famous biological active steroids"
    Fatemeh Abyar Firouzabadi, Hossein Farrokhpour
    JOURNAL OF MOLECULAR STRUCTURE, Vol. 1076, pp.69-79, 2014
45. "Temporal evolution of two-photon time-resolved optogalvanic signals of neon in the 600630nm region"
    H. Farrokhpour, Fatemeh Abyar Firouzabadi, F. Fathi, M. Tabrizchi
    JOURNAL OF MOLECULAR STRUCTURE, Vol. 1007, pp.208-213, 2012

Conference Paper

1. ""
   Zeynab Izadi laybidi, Fatemeh Abyar Firouzabadi, Somayeh Soltani-Gerdefaramarzi
   بيوچاربه عنوان يك جاذب موثر در حذف كادميوم از محلولها ي آبي: شناسايي و تحليل كارايي, 2025
2. ""
   Zeynab Izadi laybidi, Fatemeh Abyar Firouzabadi, Somayeh Soltani-Gerdefaramarzi
   Nano-Biochar as a Sustainable Adsorbent for Efficient Cadmium Removal from Aqueous Solutions, 2025
3. ""
   Zeynab Izadi laybidi, Fatemeh Abyar Firouzabadi, Somayeh Soltani-Gerdefaramarzi
   بيوچار به عنوان يك جاذب موثر در حذف يون كادميوم در محلول هاي آبي شناسايي و تحليل كارايي, 2025
4. ""
   Zeynab Izadi laybidi, Fatemeh Abyar Firouzabadi, Somayeh Soltani-Gerdefaramarzi
   بيوچار به عنوان جاذب موثربراي حذف يون كادميوم در محلولها يآبي: شناسايي و تحليل كارايي, 2025
5. "The 18th Iranian National Congress of Chemical Engineering"
   Fatemeh Abyar Firouzabadi, tabatabee Zahra sadat
   مطالعه نظري اثرات مواد موثره ي گياهان آويشن و بابونه بر ويروس SARS-COVID-2 و COVID-19, 2024
6. "The 18th Iranian National Congress of Chemical Engineering"
   Fatemeh Abyar Firouzabadi
   بررسي تاثير كربن فعال ، ايزولوسين در حذف رنگ نساجي Blue 19, 2024
7. "The 18th Iranian National Congress of Chemical Engineering"
   Fatemeh Abyar Firouzabadi
   بررسي تاثير كربن فعال ، ال-متيونين در حذف رنگ نساجي Blue 19, 2024
8. "The 17th National Chemical Engineering Congress & Exhibition (IChEC 2021)"
   Fatemeh Abyar Firouzabadi, Zahra sadat Tabatabaei
   بررسي داكينگ مولكولي ويروس SARA-COVID-2 با گياه آويشن, 2021
9. "International Conference Chemistry and Technology of Functional Materials"
   Fatemeh Abyar Firouzabadi, Reza Zare, George Gamov
   MOLECULAR DOCKING OF PYRIDOXAL 5'-PHOSPHATE ISONIAZID HYDRAZONE WITH DNA AND PROTEINS, 2020
10. "11th International Chemical Engineering Congress & Exhibition"
    Fatemeh Abyar Firouzabadi
    Study of Electronic Structure of Lithium Attachment, 2020
11. "11th International Chemical Engineering Congress & Exhibition"
    Fatemeh Abyar Firouzabadi
    Outer-Valence Green's Function Study on Small Biomolecules, 2020
12. "11th ILSF Users' Meeting"
    Fatemeh Abyar Firouzabadi
    Photoelectron spectroscopy of the electronic structure and isomerization trans and cis, 2019
13. "The 21st Chemical Physics Conference of Iran"
    Fatemeh Abyar Firouzabadi, Fatemeh Bamdadi
    Interaction different anticancer drugs with nano particle Au A theoretical study, 2018
14. "The 21st Chemical Physics Conference of Iran"
    Fatemeh Abyar Firouzabadi, Fatemeh Bamdadi
    Molecular docking and QM/MM calculations of Cu anticancer drugs with DNA, 2018
15. "2nd Iranian Applied Chemistry Seminar (2IACS)"
    Fatemeh Abyar Firouzabadi
    مطالعه مولكولي دو انانتيومر دلتا و لانداي كمپلكس نيكل (II) با DNA, 2017
16. "2nd Iranian Applied Chemistry Seminar (2IACS)"
    Mohammadreza Elahifard, Fatemeh Abyar Firouzabadi
    Ag 3 PO 4 /BiPO 4 نانوكامپوزيت با آترازين كش علف تخريب, 2017
17. "2nd Iranian Applied Chemistry Seminar (2IACS)"
    Fatemeh Abyar Firouzabadi, Mohammadreza Elahifard
    DNA با سرطان ضد جديد ي ها ي دارو كنش برهم مطالعه, 2017
18. "48th Annual Iranian Mathematics Conference"
    Fatemeh Abyar Firouzabadi
    Photoelectron spectroscopy study of the electronic structure and isomerization of trans- and cis, 2017
19. "International Conference on Progress in Science and Technology"
    Fatemeh Abyar Firouzabadi
    Theoretical Study on the Interaction of Signal Transducer Smoothened with Different Drugs, 2016
20. "Third National Conference on Life Science"
    Fatemeh Abyar Firouzabadi
    Interaction of Theophylline with DNA and BSA Theoretical Study, 2016
21. "At The Third International Conferance on Recent Innovations in Chemistry and Chemical Engineering"
    Fatemeh Abyar Firouzabadi
    Interaction of 2 and 4 D with biomolecules Theoretical Stud, 2016
22. "At The Third International Conferance on Recent Innovations in Chemistry and Chemical Engineering"
    Fatemeh Abyar Firouzabadi
    Investigation the Stability of Conformers of Ascorbic Acid and Calculation Their Photoelectron Spectra, 2016
23. "2nd International Conference on new Research Achievement in Chemistry and Chemical Engineering"
    Fatemeh Abyar Firouzabadi, Ashkan Bagheri-faradonbeh
    مطالعه طيف جرمي آمينواسيدها به روش روش واجذبي و يونش ليزري كمك شده ي ماتريس, 2016
24. "1st congress Chemical Biotechnology"
    Fatemeh Abyar Firouzabadi, Mahmood Tabrizchi, Hossien Farrokhpour
    Identification of Amino Acids by New Laser Method in TOF Mass Spectrometery, 2016
25. "1st congress Chemical Biotechnology"
    Fatemeh Abyar Firouzabadi
    Identification of Amino Acids by New Laser Method in TOF Mass Spectrometry, 2016
26. "1st congress Chemical Biotechnology"
    Fatemeh Abyar Firouzabadi, Hossien farrokhpour, Mahmood Tabrizchi
    Ion Attachment Mass Spectrometry of Amino Acids by Laser Radiation, 2016