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Farzaneh FarzadAssociate Professor دانشکده/پردیس: Science گروه/دانشکده: Chemistry |
Papers in Conferences
- 1. _ ,H2S adsorption on hexagonal boron nitride: A DFT study ,بیستمین کنگره شیمی ایران ,pp. - ,مشهد ,2018 07 17.
- 2. _ ,Investigation of adsorption properties of CS2 on hexagonal boron nitride ,بیستمین کنگره شیمی ایران ,pp. - ,مشهد ,2018 07 17.
- 3. _ ,Monte Carlo simulation of CH4 and CO2 Adsorption and Separation in Single-Walled Carbon Nanotubes ,اولین کنگره بین المللی شیمی و نانو شیمی از پژوهش تا فناوری ,pp. - ,تهران ,2018 07 11.
- 4. _ ,Single-Walled Boron Nitride Nanotubes as Effective Adsorbent for Separation and Adsorption CO2 and CH4 Monte Carlo Simulation ,اولین کنگره بین المللی شیمی و نانو شیمی از پژوهش تا فناوری ,pp. - ,تهران ,2018 07 11.
- 5. _ ,Investigating the pi pi interaction between pyrazine and its different derivatives ,ششمین کنفرانس بین المللی شیمی، پلیمر و مهندسی شیمی ,pp. - ,تهران ,2017 09 04.
- 6. _ ,Study on the interaction of Single-Walled Carbon Nanotube with organometallic transition metal compounds ,ششمین کنفرانس بین المللی شیمی، پلیمر و مهندسی شیمی ,pp. - ,تهران ,2017 09 04.
Papers in Journals
- 1. فرزانه فرزاد,علیرضا نخعی,مریم علائی,حیدر رئیسی،Engineering and design of a COF-coated probe for the detection and removal of flumequine and enrofloxacin antibiotics in foodstuffs: a molecular dynamics simulation approach،Discover Food،مجلد 1،شماره 5،شماره صفحات 1-12،2025،Scopus.
- 2. فرزانه فرزاد,عذرا هاشم زهی,سیده لیلا رضوی خوسفی,حیدر رئیسی،Significantly enhanced performance for phenol compounds removal by MOF-5 nano-composite via its surface modification،Npj clean water،مجلد 44،شماره 7،شماره صفحات 1-12،2024،ISI،JCR،Scopus.
- 3. فرزانه فرزاد،Designing a high-performance smart drug delivery system for the synergetic co-absorption of DOX and EGCG on ZIF-8،RSC Advances،مجلد 2،شماره 10،شماره صفحات 44533-44544،2020،ISI،JCR،Scopus.
- 4. فرزانه فرزاد،Assessment of adsorption behavior of 5-fluorouracil and pyrazinamide on carbon nitride and folic acid-conjugated carbon nitride nanosheets for targeting drug delivery،Journal of Molecular Liquids،مجلد 301،شماره 301،شماره صفحات 112435-112444،2020،JCR،Scopus.
- 5. Sedigheh Abdollahi,Enhancing water quality: using non-covalently functionalized carbon nanotubes for antibiotic removal,Applied Water Science,Vol. 16,No. 4,pp. 104-126,2026,ISI،JCR،Scopus.
- 6. Sedigheh Abdollahi,Chemically tuned radiolabeling and membrane affinity in Drug-Functionalized carbon nanotube nanocarriers,Scientific Reports,Vol. 15,No. 1,pp. 45556-45574,2025,ISI،JCR،isc،Scopus.
- 7. Sedigheh Abdollahi,The role of microplastics as vectors of antibiotic contaminants via a molecular simulation approach,Scientific Reports,Vol. 15,No. 1,pp. 27007-27021,2025,ISI،JCR،Scopus.
- 8. seyede leila Razavi Khoosfi,Graphene oxide and silicene as 2D platforms for complexation and intracellular delivery of siRNA,Journal of Drug Delivery Science and Technology,Vol. 1,No. 95,pp. 105514-105524,2024,ISI،JCR،Scopus.
- 9. _,Engineered nanoparticles as Selinexor drug delivery systems across the cell membrane and related signaling pathways in cancer cells,Journal of Molecular Graphics and Modelling,Vol. 1,No. 131,pp. 108809-108817,2024,JCR،Scopus.
- 10. Sedigheh Abdollahi,Examine stability polyvinyl alcohol‑stabilized nanosuspensions to overcome the challenge of poor drug solubility utilizing molecular dynamic simulation,Scientific Reports,Vol. 1,No. 14,pp. 17386-17397,2024,ISI،JCR،Scopus.
- 11. _,Advanced porous covalent organic framework (COF) materials for the capture of alizarin dye and its derivatives from the aquatic environment,Applied Water Science,Vol. 8,No. 14,pp. 184-196,2024,ISI،JCR،Scopus.
- 12. seyede leila Razavi Khoosfi,Efficient immobilization of horseradish peroxidase enzyme on transition metal carbides,Journal of Molecular Liquids,Vol. 1,No. 386,pp. 1-10,2023,ISI،JCR،Scopus.
- 13. ameneh zaboli arbab din mohamad,Hassan Hashemzadeh,The state of art in the prediction of efficiency and modeling of the processes of Benzene removal from water environment,Journal of Molecular Liquids,Vol. 1,No. 378,pp. 1-35,2023,ISI،JCR،Scopus.
- 14. فرزانه فرزاد,فاطمه نجفی،Functionalized MoS 2 nanosheets as high-affinity nanocarriers for gemcitabine: a molecular simulation study،Scientific Reports،مجلد 151،شماره 16،شماره صفحات 1-18،2025،ISI،JCR،isc،Scopus.
- 15. فرزانه فرزاد،Effects of Doping and Functionalization on Black Phosphorus Nanosheets for Enhanced Quercetin Delivery،RSC Advances،مجلد 51،شماره 1،شماره صفحات 43751-43762،2025،ISI،JCR،Scopus.
- 16. parisa taherpoor,Performance improvement of graphene oxide modified with L-methionine amino acid for adsorption of emerging pollutants in water,Applied Water Science,Vol. 16,No. 3,pp. 55-69,2026,ISI،JCR،Scopus.
- 17. fatemeh najafi,Decorate clinoptilolite zeolites framework as high-affinity carriers for doxorubicin: Insights from molecular dynamics and metadynamics simulation,Materials Chemistry and Physics,Vol. 364,No. 1,pp. 132853-132867,2026,JCR،Scopus.
- 18. seyede leila Razavi Khoosfi,MOHAMADREZA MOTAMEDI,Electrical field-responsive micelles based on orthogonal assembly of two homopolymers and its application in drug delivery,Scientific Reports,pp. 0-0,2026,ISI،JCR،isc،Scopus.
- 19. parisa taherpoor firuzkuhi,Exploring the synergistic effect of MXene@ZIF-8 hybrid composites for water treatment,Scientific Reports,Vol. 15,No. 1,pp. 11044-11058,2025,ISI،JCR،Scopus.
- 20. فرزانه فرزاد,فاطمه طلائی,اسما یعقوبی,Molecular insights into functionalized carbon nanotubes for the adsorption of therapeutic peptides,Results in Materials,Vol. 100704,No. 26,pp. 1-9,2025,Scopus.
- 21. فرزانه فرزاد,فاطمه طلایی,زهرا رایگان,A study on fullerene as a polymer-assisted antiepileptic drug delivery system: A non-covalent interaction,Journal of Molecular Liquids,Vol. 1,No. 419,pp. 126765-126775,2025,ISI،JCR،Scopus.
- 22. حیدر رئیسی,سمیه همسایگان,افسانه قهاری,فرزانه فرزاد,Polymer-Modified Carbon Nanotubes as Smart Carriers for Anticancer Drug Delivery: Insights from MD and DFT Calculations,Langmuir,Vol. 33,No. 41,pp. 21957-21980,2025,JCR،Scopus.
- 23. فرزانه فرزاد,فاطمه طلایی,Interpreting the function of cell penetrating peptide (RGD) in drug transport to the cell membrane: a computational approach,Scientific Reports,Vol. 1,No. 14,pp. 29668-29680,2024,ISI،JCR،Scopus.
- 24. afsaneh ghahari,REZA AZADNEJAD,The strategy of three-dimensional Covalent Organic Frameworks to exclude dye contaminants in aqueous solutions,Npj clean water,Vol. 1,No. 7,pp. 27-39,2024,ISI،JCR،Scopus.
- 25. parisa taherpoor,ameneh zaboli arbab din mohamad,Investigation of the effects of solvent on oxygen evolution reactions on the surface of magnesium oxide,Results in Materials,Vol. 1,No. 21,pp. 1-8,2024,Scopus.
- 26. parisa taherpoor,ameneh zaboli arbab din mohamad,Performance evaluation and efficiency of functionalized cellulose nanocomposites for the removal of pharmaceutical contaminants from the aqueous environment,Journal of Molecular Liquids,Vol. 1,No. 392,pp. 1-17,2023,ISI،JCR،Scopus.
- 27. Zeynab Ghasemi,ameneh zaboli arbab din mohamad,State-of-the-art predictive modeling of heavy metal ions removal from the water environment using nanotubes,Scientific Reports,Vol. 1,No. 13,pp. 1-10,2023,JCR،Scopus.
- 28. parisa taherpoor,ameneh zaboli arbab din mohamad,Engineering of surface-modified CuBTC-MXene nanocarrier for adsorption and co-loading of curcumin/paclitaxel from aqueous solutions for synergistic multi-therapy of cancer,Journal of Biomolecular Structure and Dynamics,Vol. 1,No. 40,pp. 1-12,2023,JCR،Scopus.
- 29. ameneh zaboli arbab din mohamad,Graphene Oxide Hosting a pH-Sensitive Prodrug: An In Silico Investigation of Graphene Oxide-Based Nanovehicle toward Cancer Therapy,ACS Applied Bio Materials,Vol. 1,No. 1,pp. 1-11,2023,Scopus.
- 30. seyede leila Razavi Khoosfi,Validation of an MD simulation approach for electrical field responsive micelles and their application in drug delivery,Scientific Reports,Vol. 1,No. 13,pp. 1-12,2023,JCR،Scopus.
- 31. afsaneh ghahari,Design of a hydroxy channel based on the selectivity of water permeation via ions exclusion,Npj clean water,Vol. 1,No. 6,pp. 1-9,2023,JCR.
- 32. Abdul Raqib Haqyar,Hassan Hashemzadeh,A strategy toward therapeutic improvement of electric feld-sensitive gemcitabine prodrugs in 2D metal–organic frameworks in view of their structure and interactions,Inorganic Chemistry Communications,Vol. 14,No. 135,pp. 109281-109288,2022,JCR،Scopus.
- 33. seyede leila Razavi Khoosfi,Strategy to improve Cu-BTC metal-organic frameworks performance in removal of Rhodamine B: MD and WT-MtD simulations assessment,Npj clean water,Vol. 1,No. 5,pp. 1-8,2022,JCR.
- 34. afsaneh ghahari,Proposing two-dimensional covalent organic frameworks material for the capture of phenol molecules from wastewaters,Npj clean water,Vol. 1,No. 5,pp. 1-7,2022,JCR.
- 35. Ahmad Haghi,On the role of alkanethiol Au complex in the formation of gold deposits; an in-silico approach,Chemical Geology,Vol. 1,No. 610,pp. 121101-121112,2022,JCR،Scopus.
- 36. ameneh zaboli arbab din mohamad,Faezeh Fallahi,Cation-pi interaction: A strategy for enhancing the performance of graphene-based drug delivery systems,Inorganic Chemistry Communications,Vol. 1,No. 141,pp. 109542-109550,2022,JCR،Scopus.
- 37. fatemeh najafi,Interactions of boron nitride nanosheet with amino acids of diferential polarity,Scientific Reports,Vol. 1,No. 12,pp. 11156-11168,2022,JCR،Scopus.
- 38. seyede leila Razavi Khoosfi,Surface functionalization of graphene nanosheet with poly (l‑histidine) and its application in drug delivery: covalent vs non‑covalent approaches,Scientific Reports,Vol. 12,No. 1,pp. 1-9,2022,JCR،Scopus.
- 39. _,Development of the poly(L-histidine) grafted carbon nanotube as a possible smart drug delivery vehicle,Computers in Biology and Medicine,Vol. 11,No. 143,pp. 105336-105345,2022,JCR،Scopus.
- 40. seyede leila Razavi Khoosfi,Assessment of the effect of external and internal triggers on adsorption and release of paclitaxel from the PEI functionalized silicene nanosheet: A molecular dynamic simulation,Journal of Molecular Graphics and Modelling,Vol. 1,No. 106,pp. 107930-107938,2021,JCR،Scopus.
- 41. َAli Bina,Surface functionalization of boron nitride nanosheet with folic acid: Toward an enhancement in Doxorubicin anticancer drug loading performance,Journal of Molecular Graphics and Modelling,Vol. 1,No. 110,pp. 108041-108052,2021,JCR،Scopus.
- 42. َAli Bina,Conjugation of a smart polymer to doxorubicin through a pH-responsive bond for targeted drug delivery and improving drug loading on graphene oxide†,RSC Advances,Vol. 1,No. 11,pp. 18809-18817,2021,ISI،JCR،Scopus.
- 43. afsaneh ghahari,Design of a new drug delivery platform based on surface functionalization 2D covalent organic frameworks,Journal of the Taiwan Institute of Chemical Engineers,Vol. 1,No. 125,pp. 15-22,2021,JCR،Scopus.
- 44. ameneh zaboli arbab din mohamad,Molecular interpretation of the carbon nitride performance as a template for the transport of anti-cancer drug into the biological membrane,Scientific Reports,Vol. 1,No. 11,pp. 18981-18993,2021,JCR،Scopus.
- 45. حیدر رئیسی,سیده لیلا رضوی خوسفی,حسن هاشم زاده,فرزانه فرزاد,Molecular Insights into the Loading and Dynamics of Anticancer Drugs on Silicene and Folic acidconjugated Silicene nanosheets: DFT calculation and MD simulation,Journal of Biomolecular Structure and Dynamics,Vol. 1,No. 38,pp. 1-22,2020,ISI،JCR،Scopus.
- 46. _,Probing the effect of polyethene glycol on the adsorption mechanisms of Gem on the hexagonal boron nitride as a highly efficient polymerbased drug delivery system: DFT, classical MD and Well-tempered Metadynamics simulations,Journal of Molecular Graphics and Modelling,Vol. 1,No. 98,pp. 107613-107621,2020,JCR،Scopus.
- 47. فرزانه فرزاد,نفیسه رحمانی مقدم,حیدر رئیسی,مریم زابلی,Probing the adsorption and release mechanisms of cytarabine anticancer drug on/from dopamine functionalized graphene oxide as a highly efficient drug delivery system,Journal of Molecular Liquids,pp. 0-0,2020,JCR،Scopus.
- 48. _,Using molecular dynamics simulation to explore the binding of the three potent anticancer drugs sorafenib, streptozotocin, and sunitinib to functionalized carbon nanotubes,Journal of Molecular Modeling,Vol. 159,No. 25,pp. 0-0,2019,JCR،Scopus.
- 49. حیدر رئیسی,حسن هاشم زاده,فرزانه فرزاد,Design of New Materials Based on Functionalization of Cu-BTC for Adsorption and Separation of CH4 and CO2: GCMC and MD Simulations Study,Russian Journal of Physical Chemistry A,Vol. 7,No. 94,pp. 1415-1421,2019,JCR،Scopus.
- 50. _,Enhance the efficiency of 5-fluorouracil targeted delivery by using a prodrug approach as a novel strategy for prolonged circulation time and improved permeation,International Journal of Pharmaceutics,No. 568,pp. 118491-0,2019,JCR،Scopus.
- 51. Torkzadeh ,& Mahani Masoud,Zaboli Mahdiye,Stabilization of d-lactate dehydrogenase diagnostic enzyme via immobilization on pristine and carboxyl-functionalized carbon nanotubes, a combined experimental and molecular dynamics simulation study,ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS,Vol. 661,pp. 178-186,2019,JCR.
- 52. فرزانه فرزاد,زهرا قدری بورنگ,حیدر رئیسی,مهناز شهابی چشمه موسی,Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs,MOLECULAR SIMULATION,Vol. 1,No. 1,pp. 1-12,2019,JCR.
- 53. Hossein Farsi,Quantum chemical studies on molecular conformations, energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenol,Journal of Sulfur Chemistry,Vol. 2,No. 35,pp. 152-163,2014,JCR،Scopus.
- 54. ,,,Theoretical Description of Substituent Effects in 2,4-Pentanedione: AIM, NBO, and NMR Study,Bulletin of the Chemical Society of Japan,Vol. 1,No. 85,pp. 87-92,2012,JCR،Scopus.