Mohsen Sargolzaei

Courses Taught

• Atmospheric chemistry
• Marine Chemistry
• Advanced Physical Chemistry

• Analytical Chemistry lab
• General Chemistry lab I
• General Chemistry lab II
• Physical chemistry lab I
• Physical chemistry lab II
• Industrial Chemistry
• Biochemistry
• Analytical Chemistry
• General Chemistry I
• General Chemistry II
• Physical chemistry I
• Physical chemistryII
• Quantum Chemistry

Thesis

Publications

• "First principles study on proton transfer between amino acid side chains of histidine and aspartic acid in β-structure", JOURNAL OF STRUCTURAL CHEMISTRY, 8, 8, 1627-1634, 2014-12-01
• "Relativistic first-principles study on spin and orbital magnetism of mattagamite (CoTe2)", The Physics of Metals and Metallography, 4, 4, 341-345, 2015-04-01
• "Spin and orbital magnetism of coinage metal trimers (Cu3, Ag3, Au3): A relativistic density functional theory study", AIP Advances, 11, 11, 112122-, 2010-10-12
• "The effect of glutamic acid side chain on acidity constant of lysine in beta-sheet: A density functional theory study", Russian Journal of Physical Chemistry A, 7, 7, 1248-1254, 2014-07-01
• "The Effect of Solvent on Tautomerization of 4-bromo Substituted 1HPyrazoles: Density Functional Theory Study", LETTERS IN ORGANIC CHEMISTRY, 5, 5, 344-351, 2015-05-09
• "First principle study on magnetic and electronic properties of single X (X = Al, Si) atom add to small carbon clusters (CnX, n = 2-12)", ???, 0, 0, -, 2010-10-12
• "Binding of 1-substituted carbazolyl-3,4-dihydro-carbolines with DNA: Molecular dynamics simulation and MM-GBSA analysis", ???, 0, 0, -, 2010-10-12
• "Electronic and magnetic properties of single 3d-transition metals adsorbed on anthracene: a relativistic density functional theory study", Molecular Physics, 14, 14, 2187-2194, 2016-05-17
• "DNA Binding Mode and Affinity of Antitumor Drugs of 2-aroylbenzofuran-3-ols: Molecular Dynamics Simulation Study", PHARMACEUTICAL CHEMISTRY JOURNAL, 3, 3, 137-142, 2016-04-01
• "DFT study of conjugational electronic structures of aminoalkyl end-capped oligothiophenes up to octamers", COMPTES RENDUS CHIMIE, 5, 5, 646-653, 2016-02-15
• "Molecular dynamics simulation study of binding affinity of thieno[2,3-b]benzo[1,8]naphthyridine derivatives to DNA", RUSSIAN JOURNAL OF BIOORGANIC CHEMISTRY, 4, 4, 435-442
• "Molecular Dynamics Simulation and DFT Study to Predict the Refractive Index of Intermediates in the Paal-Knorr Pyrrole Synthesis", LETTERS IN ORGANIC CHEMISTRY, 2, 2, 120-127
• "Zinc, copper and nickel complexes of a macrocycle synthesized from pyridinedicarboxylic acid: A spectroscopic, thermal and theoretical study", JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, 6, 6, 665-680
• "Synthesis, characterization, theoretical and biological studies of a new macrocycle Schiff base with Co(II), Ni(II), Cu(II) and Zn(II) complexes", JOURNAL OF THE CHILEAN CHEMICAL SOCIETY, 4, 4, 3731-3740, 2017-12-30
• "Prediction of Physico-chemical Properties of Bacteriostatic N1-Substituted Sulfonamides: Theoretical and Experimental Studies", ACTA CHIMICA SLOVENICA, 64, 64, 842-848, 2017-11-10
• "SOLVENT EFFECT ON THE EQUILIBRIUM AND RATE CONSTANT OF THE TAUTOMERIC REACTION IN NEXIUM, SKELAXIN, ALDARA AND EFAVIRENZ DRUGS: A DFT STUDY", JOURNAL OF STRUCTURAL CHEMISTRY, 2, 2, 309-317, 2018-01-01
• "Molecular Dynamics Simulation Study of N-14 Side Chain Substituted Styelsamines Binding to DNA", PHARMACEUTICAL CHEMISTRY JOURNAL, 11, 11, 1093-1100, 2020-02-01
• "Cyclization effect on pKa of side chain of aspartic acid in dipeptides: A DFT study", LETTERS IN ORGANIC CHEMISTRY, 1, 1, -, 2020-01-01
• "Quantum-chemical ab initio study of side chain pKa of linear and cyclic lysine dipeptides", JOURNAL OF THEORETICAL , COMPUTATIONAL CHEMISTRY, 1, 1, 1-10, 2020-07-29
• "Virtual Compound Screening and Molecular Dynamics to Identify New Inhibitors for Human Glutathione Reductase", Letters in Drug Design , Discovery, 1, 1, 1-10, 2020-05-02
• "theoretical study on behavior of water molecules around spinach plastocyanin", Romanian Journal of Biochemistry, 2, 2, 119-134, 2011-01-01
• "TEMPERATURE EFFECTS ON SPINACH PLASTOCYANIN: MOLECULAR DYNAMICS SIMULATION STUDY", Romanian Journal of Biochemistry, 2, 2, 101-118, 2011-01-01
• "Ab initio study of ion replacement in Spinach plastocyanin protein", Bulgarian Chemical Communications, 2, 2, 201-206, 2013-01-01
• "The influence of hydrophobic amino acid side groups on the acidity of the aromatic imidazole ring of histidine: A theoretical study", INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 14, 14, 2675-2680, 2011-01-01
• "Effect of nelfinavir stereoisomers on coronavirus main protease: Molecular docking, molecular dynamics simulation and MM/GBSA study", JOURNAL OF MOLECULAR GRAPHICS , MODELLING, 1, 1, 1-8, 2020-12-04
• "Prediction of thermodynamic properties of formation of HCl at temperatures 200–1000 K", CHEMICAL PHYSICS LETTERS, 1, 1, 138276-, 2021-01-01
• "Structural and Electronic Properties of Conducting Oligo(aniline-co-1-amino-9,10-anthraquinone): A Density Functional Theory Approach", Russian Journal of Physical Chemistry A, 1, 1, 1-9, 2021-01-10
• "Design of prodrug for stereoisomers of omapatrilat to cross the blood-brain barrier using docking, homology modeling, MD, and QM/MM methods", JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 1, 1, -, 2023-09-09

• "Comparison between tetradentate and hexadentate ligands of N,N'-bis(3-methoxisalicylidene)-1,2-bis(2-amino thiophenol)eathan: Density functional theory study", 18th Iranian Chemistry Congress, ایران, Semnan University, 2015-09-01
• "Synthesize and density functional theory calculation of N,N'-bis(3-methoxisalicylidene)-1,2-bis(2-amino thiophenol)eathan", 18th Iranian Chemistry Congress, Semnan University, 2015-09-01
• "Petrochemistry and high-precision UPb zircon-titanite Geochronology of the Calc-alkaline Lakhshak granitoid rocks from Eastern Iran", Goldschmidt Conference, Yokohama, Japan, Japan, Yokohama, 2018-02-06
• "DFT and Molecular Dynamics Simulation of Some Colorless Organic Liquids for Determining of Refractive Indices /", بیستمین سمینار شیمی فیزیک ایران - اراک, ایران, اراک, 2017-01-01
• "DFT and Molecular Dynamics Simulation of Some Colorless Organic Liquids for Determining of Refractive Indices", بیستمین سمینار شیمی فیزیک ایران - اراک, ایران, اراک, 2017-01-01
• "ONIOM Study of Binding Affinity of Breast Cancer Imine Drugs to Estrogen Receptor-", بیستمین سمینار شیمی فیزیک ایران - اراک, ایران, اراک, 2017-01-01
• "GA-ANN modeling for density prediction of hydrocarbons over a wide range of temperature and pressure/", بیستمین سمینار شیمی فیزیک ایران - اراک, ایران, اراک, 2017-01-01
• "GA-ANN modeling for density prediction of hydrocarbons over a wide range of temperature and pressure", 20th Iranian Physical Chemistry Conference, ایران, دانشگاه اراک, 2017-08-08
• "DFT calculations and thermodynamic stability of sulfa drugs", بیستمین کنقرانس شیمی فیزیک ایران, ایران, اراک, 2017-08-20
• "Docking and virtual Screening for determination of new derivatives of anti-cancer drugs from Quinazoline compounds", 22nd Iranian Physical Chemistry Conference, ایران, زنجان, 2019-08-20
• "Docking and virtual Screening for determination of new derivatives of anti-cancer drugs from Quinazoline compounds", بیست و دومین کنفرانس شیمی فیزیک انجمن شیمی ایران, ایران, زنجان, 2020-08-08
• "Docking and virtual Screening for determination of new derivatives of anticancer drugs from Quinazoline compounds", بیست و دومین کنفرانس شیمی فیزیک انجمن شیمی ایران, ایران, زنجان, 2021-01-12