Research Management System دانشگاه شهید مدنی آذربایجان | Alireza Rastkar Ebrahim Zadeh

Name	Alireza Rastkar Ebrahim Zadeh
Affliation	Azarbaijan Shahid Madani University, Physics' Department.
Degree	Ph.D / -
Academic Rank	Associate Professor
WebSite	—
Email	a_rastkar [at] azaruniv [dot] ac [dot] ir

	Title	Journal
1	A computational approach (MD simulation and COSMO-RS) for evaluating the extraction capability of hydrophobic deep eutectic solvent based on thymol and caprylic acid in aqueous solutions of a new class of synthetic insecticides	CHEMICAL ENGINEERING SCIENCE 321 (2025) 19
2	Exploring the efficiency of caprylic acid and quaternary ammonium salt-based deep eutectic solvents for separation of CO2 and H2S from gas mixtures using molecular dynamics simulations and COSMO-RS	Chemical Engineering Journal Advances 20 (2024) 100646
3	Investigation of electronic and topological properties of S/Bi-terminated short stanene nanoribbons: A DFT study	JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 194 (2024) 15
4	Tuning structural and electronic properties of Stanene-based nanotube by strain and transverse electric field: First-principles investigation	PHYSICA B-CONDENSED MATTER 682 (2024) 8
5	A comparative study of deep eutectic solvents based on fatty acids and the effect of water on their intermolecular interactions	Scientific Reports 14 (2024) 18
6	Differences in the Effect of Water on Deep Eutectic Solvents Based on Choline Chloride/Lauric Acid and Choline Chloride/Myristic Acid: Molecular Dynamics Simulations at Three DifferentTemperatures	ChemistrySelect 8 (2023) 17
7	Effect of water addition on caprylic acid: Quaternary ammonium salts (QAS) deep eutectic solvents: Characterization of their structural and dynamical properties	Journal of Molecular Graphics and Modelling 125 (2023) 54
8	Investigation the effect of water addition on intermolecular interactions of fatty acids‑based deep eutectic solvents by molecular dynamics simulations	Scientific Reports 13 (2023) 18
9	Investigation of Menthol and Caprylic acid based Deep Eutectic Solvent from the Point of View of Molecular Dynamics Simulation and COSMO-RS	Communications in Catalysis 2 (2023) 35-46
10	Molecular Insight into Dynamic and Structural Properties of the Deep Eutectic Solvent Based on Choline Chloride and Stearic Acid: A Molecular Dynamics Study	Communications in Catalysis 2 (2023) 47-58
11	Using Molecular Dynamics Simulations to Understand the Effect of Fatty Acids Chain Length on Structural and Dynamic Properties of Deep Eutectic Solvents Based on Choline Chloride and Fatty Acids	ChemistrySelect 02591 (2022) 14
12	Structural and dynamic properties of eutectic mixtures based on menthol and fatty acids derived from coconut oil: a MD simulation study	Scientific Reports 12 (2022) 15
13	Structure and dynamics of hydrophobic deep eutectic solvents composed from terpene-fatty acids investigated by molecular dynamics simulation	Journal of Molecular Graphics and Modelling 114 (2022) 14
14	Structure and dynamics of thymol - fatty acids based deep eutectic solvent investigated by molecular dynamics simulation	Fluid Phase Equilibria 552 (2022) 113241
15	Molecular Dynamics Simulation Study of Gold Nanosheet as Drug Delivery Vehicles for Anti-HIV-1 Aptamers	COMPUTATIONAL BIOLOGY AND CHEMISTRY 95 (2021) 107595
16	Exploring the structural and transport properties of glyceline DES-Based boron nitride nanotube Nanofluid: The effects of nanotube diameter	JOURNAL OF MOLECULAR LIQUIDS 341 (2021) 117277
17	The Study of Structure and Interactions of Glucose-Based Natural Deep Eutectic Solvents by Molecular Dynamics Simulation	JOURNAL OF MOLECULAR LIQUIDS 334 (2021) 115956
18	Are choline chloride-based deep eutectic solvents better than methyl diethanolamine solvents for natural gas Sweetening? theoretical insights from molecular dynamics simulations	JOURNAL OF MOLECULAR LIQUIDS 338 (2021) 116716
19	Inﬂuence of curcumin and rosmarinic acid on disrupting the general properties of Alpha-Synuclein oligomer: Molecular dynamics simulation	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 107 (2021) 107963
20	Insights into the interactions and dynamics of a DES formed by phenyl propionic acid and choline chloride	Scientific Reports 11 (2021) 1-18
21	MXene-based Nanostructures for Water Splitting Process Using the Density Functional Theory	JOURNAL OF NANOANALYSIS 8 (2021) 10
22	Molecular dynamics simulations of choline chloride and phenyl propionic acid deep eutectic solvents: Investigation of structural and dynamics properties	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 106 (2021) 107908
23	A Molecular Dynamics Study of the Inhibition of Monomeric HIV‐1 Protease as An Alternative to Overcome Drug Resistance by RNA Aptamers as A Therapeutic Tool	ChemistrySelect 5 (2020) 9086-9096
24	The Interaction of Curcumin and Rosmarinic Acid with Non‐Amyloid‐Component Domain of Alpha‐Synuclein: A Molecular Dynamics Study	ChemistrySelect 5 (2020) 3312-3320
25	The Boron Nitride Nanotube, an Ideal Host Structure for Efficient Immobilization and Delivery of RNA Aptamer: Classical Molecular Dynamics Simulation	Journal of Inorganic and Organometallic Polymers and Materials - (2019) 1-12
26	Investigation of TiO2 anatase (1 0 1), (1 0 0) and (1 1 0) facets as immobilizer for a potential anticancer RNA aptamer: a classical molecular dynamics simulation	MOLECULAR SIMULATION 1 (2019) 1
27	Molecular Dynamics Investigation of the Interactions Between RNA Aptamer and Graphene-Monoxide/Boron-Nitride Surfaces: Applications to Novel Drug Delivery Systems	Journal of Inorganic and Organometallic Polymers and Materials 1 (2019) 1
28	Theoretical study of the structural and electronic properties of novel stanene-based buckled nanotubes and their adsorption behaviors	APPLIED SURFACE SCIENCE 435 (2018) 733-742
29	The diode characteristics and rectification effect of three nanodevice containing graphene and oxidized graphene nanoribbons: A density functional theory + non-equilibrium Green’s function study	Computational Materials Science 137 (2017) 125-133
30	Adsorption and immobilisation of human insulin on graphene monoxide, silicon carbide and boron nitride nanosheets investigated by molecular dynamics simulation	MOLECULAR SIMULATION 1270452 (2017) 1-14
31	Chemisorption of CH2O on N-doped TiO2anatase nanoparticle as modified nanostructure media: A DFT study	SURFACE SCIENCE 654 (2016) 20-32
32	A computational study of the electronic structure and the chemical activity of curcumin and some novel curcuminoids by density functional theory	Journal of the Iranian Chemical Society 0 (2016) 1-8
33	TiO 2 /Gold nanocomposite as an extremely sensitive molecule sensor for NO 2 detection: A DFT study	Journal of Water and Environmental Nanotechnology 1 (2016) 55-62
34	Engineering of the electronic structure of graphene monoxide by out of plane and in-plane strains investigated by DFT	Computational and Theoretical Chemistry 1090 (2016) 34-40
35	The adsorption of sulfur dioxide on TiO2 anatase nanoparticles: A density functional theory study	CANADIAN JOURNAL OF CHEMISTRY 94 (2016) 78-87
36	A Computational Study of Quantum Transport Properties of Hydrogen Passivated Graphene Monoxide: NDR and Rectification	CANADIAN JOURNAL OF PHYSICS 94 (2015) 343-347
37	Improving the adsorption of sulfur trioxide on TiO2anatase nanoparticles by N-doping: A DFT study	JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY 14 (2015) 1550025 (1-25)
38	Molecular Interactions in the Systems Composed of Curcumin, Water and Single-Walled Carbon Nanotube: A Molecular Dynamics Simulation Study	Journal of Computational and Theoretical Nanoscience 12 (2015) 1-7
39	The Quantum Transport of Pyrene and its Silicon-Doped Variant: A DFT-NEGF Approach	Journal of Computational Electronics 14 (2015) 619-626
40	Density functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles	International Journal of Nano Dimension 6 (2015) 11-17
41	Theoretical computation of the quantum transport of zigzag mono-layer Graphenes with various z-direction widths	International Journal of Nano Dimension 6 (2015) 105-109
42	Molecular Dynamics Simulation of Nanoporous Graphene as Membrane for Ion Separation Under Induced Electric Field	Journal of Computational and Theoretical Nanoscience 12 (2015) 1-7
43	A First Principles Study of Interaction of Water with Boron–Nitrogen Doped Adamantane Nano Block	Journal of Computational and Theoretical Nanoscience 12 (2015) 1-6
44	Molecular dynamics simulation of ion separation and water transport through boron nitride nanotubes	Desalination and Water Treatment 5 (2014) 1-9
45	COMPARATIVE INVESTIGATION OF THE EFFECT OF TYPE OF DENSITY FUNCTIONAL IN THE DETERMINATION OF GEOMETRICAL PARAMETERS IN A Cu COMPLEX	JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY 12 (2013) 1350066
46	The preferential permeation of ions across carbon and boron nitride nanotubes	Chemical Physics (2012) 105-112
47	"Phantom phase power-law solution in f(G)gravity"The Journal of Astrophysics and Space Sience.Vol.337.NO.1.(2012).	ASTROPHYSICS AND SPACE SCIENCE (2012) 491-487