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Dr. Mina Ghiasi, Faculty Member of Alzahra University

Publications

1) Modeling of biliverdin reduction process: region-specificity and H-bonding, Mansour Zahedi, Mina Ghiasi and Naser Safari, Chemical Physics, 310, 2005, 179-187.

 2) New karplus equations for 2JHH, 3JHH, 2JCH, 3JCH, 3JCOCH, 3JCSCH and 3JCCCH in some aldohexopyranoside derivatives, as determind using NMR spectroscopy and density functional theory calculations, Mohsen Tafazzoli, Mina Ghiasi, Carbohydrate Research, 342, 2007, 2086-2096.

3) Conformational study of anomeric center in some carbohydrate derivatives, Mohsen Tafazzoli, Mina Ghiasi, Journal of Molecular Structure (Theochem), 814, 2007, 127-130.

4) Role of axial ligand on the elrctronic structures of active intermediates in cytocrome P-450, peroxidase and catalase, Mina Ghiasi, Mohsen Tafazzoli and Nasser Safari, Journal of Molecular Structure (Theochem), 820, 2007, 18-25.

5) QSARs and activity predicting models for competitive inhibitors of adenosine deaminase, Sayyed Hamed Sadat Hayatshahi, Parviz Abdolmaleki, Mina Ghiasi, Shahrokh Safarian, FEBS Letters, 581-2007, 506-514.

6) Dynamic NMR studies of N-benzoyl pyrrolidin and N-benzoyl piperidine derivatives, M.Tafazzoli, A. Ziyaei Halimjani, M. Ghiasi, M. Fattahi, and M.R. Saidi, Journal of Molecular Structure, 886, 2007, 24-31.

7) Dynamic sterochemistry of Erigeroside by measurement of 1H-1H and 13C-1H coupling constants, Mohsen Tafazzoli, Mina Ghiasi and Mahdi Moridi, 70, 2008, 350-357.

8) Conformational study of a strained tolanophane by dynamic 1H NMR spectroscopy and computational methods, Hossein Reza Darabi, Marjan Azimzadeh Arani, Mohsen Tafazzoli, Mina Ghiasi, Monatshefte Fur Chemie, 139, 2008, 1185-1189.

9) Noninnocent effect of axial ligand on heme degradiation process: a theoretical approach to hydrolysis of pathway of verdoheme to biliverdin, Nasser Safari, Parisa Jamaat, Mina Ghiasi, Shahab Naghavi and Mansour Zahedi, Biological inorganic chemistry, 13, 2008, 121-132.

10) Structure and conformation of α-, β- and γ- cyclodextrin in solution: Theoretical approaches and experimental validation, , Mina Ghiasi, and Mohsen Tafazzoli Carbohydrate polymers, 78, 2009, 10-15. 

11) Dynamic stereochemistry of rutin (vitamn P) in solution: theoretical approaches and experimental validation, Mina Ghiasi, Salman Taheri, Mohsen Tafazzoli, Carbohydrate Research, 345, 2010, 1760-1766. 

12) Quantum mechanical study of antioxidative ability and antioxidative mechanism of rutin (vitamin P) in solution, Mina Ghiasi, Majid M. Heravi, Carbohydrate Research, 346, 2011, 739-744.

13) Dynamic stereochemistry of topiramate (anticonvulsant drug) in solution: theoretical approaches and experimental validation, Mina Ghiasi, Afsaneh Arefi Oskouie, Hamdollah Saeidian, Carbohydrate Research, 348, 2012, 47-54. 

14) Protective effect of rutin (vitamin p) against heme oxidation: A quantum

mechanical approach, Mina Ghiasi ,  Afsaneh Azadnia, Masoud Arabieh, Mansour Zahedi, Computational and Theoretical Chemistry, 996, 2012, 28–36.

15) Carbonic anhydrase inhibitors: A quantum mechanical study of interaction between some antiepileptic drugs with active center of carbonic anhydrase enzyme, Mina Ghiasi, Saeedeh Kamalinahad, Masoud Arabieh, Mansour Zahedi, Computational and Theoretical Chemistry, 992, 2012, 59-69.

16) Synthesis of thiadiazolobenzamide via cyclization of thioxothiourea and its Ni and Pd complexes, F. Adhami,  Nasim  Nabilzadeh,  F.  mmering, M. Ghiasi  and M. M.  Heravi,  Journal of the Serbian Chemical Society, 2012, 77,1211-1222. 

17) Quantum mechanical study of energetics and mechanisms  of cis–trans isomerization of some four-membered heterocycles, Mina Ghiasi,  Majid M. Heravi, Elham Hatami, Journal of Iranian Chemical Society, 2013, 10, 257–263.

18) Nanowire versus nanotube: A quantum mechanical approach to some ZnO nanostructures and Cu/ZnO surface, Mina Ghiasi, Faezeh Farzaneh, Nano Science and Nanotechnology: Indian journal, 2013, 7, 1-17.

19)  Immobilized iron Schiff base histidine complexes on Al-MCM-41 and zeolite Y as catalyst for oxidation of cycloalkanese, Faezeh Farzaneh, Samaneh Sohrabi, Mina Ghiasi, Mehdi Ghandi, Vahid Daadmehr, Journal of Porous Material, 2013, 20, 267-275.

20) Thermodynamic study of proton transfer in carbonic anhydrase/activator omplex:A quantum mechanical approach, Mina Ghiasi, Mona Taheri, Mansour Zahedi, Journal of Computational and Theoretical Chemistry, 2013, 1022, 121-129

21) Enzymatic molecular mechanism of the human O-GlcNAcase to design new inhibitors: A quantum mechanical approach, Mina Ghiasi, Zohre Hasanzade, Journal of Carbohydrate Chemistry, 2014, 33, 20-32.

22) Synthesis, characterization and immobilization of iron (III) pyridoxinato complex within Al-MCM-41 as catalyst for cycloalkanes oxidation, F. Farzaneh, F.Husseini, L. Hamidipour, M. Ghiasi, 2014, 21, 189-196.

23) Gas contaminants capturing by gamma-carbonic anhydrase catalyst: A quantum chemical approach, Mina Ghiasi, Nahal Majdoddin, Ebrahim Esalati Iranian Journal of Catalysis, 2014 ,4, 205-211.

24) Complexation of nanoscale enzyme inhibitor with carbonic anhydrase active center: A quantum mechanical approach, Mina Ghiasi, Saeedeh Kamalinahad, Mansour Zahedi, Journal of Molecular Structure, 2014, 55, S393-S404.

25) Theoretical study of the catalytic inhibition mechanism of the β-lactamases in the different solvent and different temperatures using quantum mechanical calculations, Mina Ghiasi, Bahare Noohi, Mansour Zahedi, Journal of science kharazmi university, 2015, 14, 239-258.

26) Conformational Analysis of Topiramate and Related Anion in the Solution and Interaction Between the Most Stable Conformer of Topiramate with Active Center of Carbonic Anhydrase Enzyme, Mina Ghiasi, Saeedeh Kamalinahad, Journal of Carbohydrate Chemistry, 2015, 34, 80-102.

27) Synthesis, crystal structure and DFT studies of a new dioxomolybdenum(VI) Schiff base complex as an olefin epoxidation catalyst, POLYHEDRON, Zeinab Asgharpour, Faezeh Farzaneh, Alireza Abbasi, Mina Ghiasi, 2015, 101, 282-289.

28) Synthesis, crystal structure, antibacterial activity and theoretical studies on a novel mononuclear cobalt(II) complex based on 2,4,6-tris(2-pyridyl)-1,3,5-triazine ligand, Journal of Molecular Structure, Mahboobeh Maghami, Faezeh Farzaneh, Jim Simpson, Mina Ghiasi, Mohammad Azarkish, 2015, 1093, 24-32.

29) QM study of complexation between natural bilirubin and poly-terthiophene carboxylic acid–              Mn(II)              as a biosensor: Temperature and interferences effect, JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY , Mina Ghiasi, Masoumeh Molaee, Mansour Zahedi, 2015. 1-22.

 

Conferences

1) Structural and conformational of α-, β- and γ-cyclodextrin in solution: Theoretical approches and experimental validation, Mina Ghiasi, Mohsen Tafazzoli, 12th physical chemistry conference, Kordestan, Iran, 27 Jan, 2009.

2) Conformational analysis of vitamin p in solution by theoretical approches and experimental validation, Mina Ghiasi, Salman Taheri, Mohsen Taffazoli, 13th physical chemistry conference, Shiraz, Iran, 11 OCT, 2009.

3) Antioxidant activity and antioxidant mechanism of vitamin P in solution, Mina Ghiasi, 14th physical chemistry conference, Kish, Iran, 20 OCT, 2010.

4) Interaction energy and electronic structure details of complexes between some antiepileptic drugs and active site of CA enzyme, Mina Ghiasi, Saeede Kamalinahad, 15th chemistry congress, Hamedan, Iran, 4-6 Sep, 2011

5) Enzyme molecular mechanism of  O-GlcNAcase small molecule inhibitors: A quantum mechanical approach, Mina Ghiasi, Z. Hasanzadeh,  15th physical chemistry conference, Tehran, Iran, 3-6 Sep, 2012.

6) Poly terthiophene Mn(II) is a new nano biosensor of bilirubin: A quantum mechanical approach, Mina Ghiasi, masoumeh Molaei Mansour Zahedi, 15th physical chemistry conference, Tehran, Iran, 3-6 Sep, 2012.

7) Quantum mechanical investigation of the catalytic mechanism and inhibition of the dinuclear zinc metallo-β-lactamase by penicillin, Mina Ghiasi, Bahare Noohi Mansour Zahedi, 15th physical chemistry conference, Tehran, Iran, 3-6 Sep, 2012.

8) The role of L-histidine in the activation of the carbonic anhydrase enzyme: A quantum mechanical approach, Mina Ghiasi, Mona Taheri Mansour Zahedi, 15th physical chemistry conference, Tehran, Iran, 3-6 Sep, 2012.

9) Quantum mechanical study of antioxidant  abilityof rutin (vitamin P) against heme, Mina Ghiasi Afsaneh Azadnia Mansour Zahedi, 15th physical chemistry conference, Tehran, Iran, 3-6 Sep, 2012.

10) Complexation of nanoscale enzyme inhibitor with carbonic anhydrase active center: A quantum mechanical, Mina Ghiasi, Saeedeh Kamalinaha Mansour Zahedi, 15th physical chemistry conference, Tehran, Iran, 3-6 Sep, 2012.

11) Complexation of vitamin P with Heme: A Quantum mechanical approach, Mina Ghiasi, Afsaneh Azadnia, Mansour Zahedi, 14th Inorganic chemistry conference, Tehran, Iran, 28-29 Aug, 2012.

12) Complexation of antibiotics to Dinuclear Zinc Mettallo-β-Lactamase: A quantum mechanical approach, Mina Ghiasi Bahare Noohi Mansour Zahedi , 14th Inorganic chemistry conference, Tehran, Iran, 28-29 Aug, 2012.

13) Complexation of  L-Histidine with carbonic anhydrase enzyme: A quantum mechanical approch, Mina Ghiasi, Mona Taheri, 14th Inorganic chemistry conference, Tehran, Iran, 28-29 Aug, 2012.     

14)The role of the dinuclear zinc β-lactames in catalyzing the β-lactames antibiotics, Mina Ghiasi, Bahareh Noohi, Mansour Zahedi, 12th biophysical chemistry conference, Tabriz, Iran, 22-24 may, 2013.

15) Molecular mechanism of O-GlcNAcase using a fluorogenic GlcNAc substrate: A quantum mechanical approach, Mina Ghiasi, Zohreh Hasanzadeh, 12th biophysical chemistry conference, Tabriz, Iran, 22-24 may, 2013.

16) Thermodynamic study of complex between carbonic anhydrase enzyme and histamine: a quantum mechanical approach, Mina Ghiasi, Mona Taheri, Mansour Zahedi, 12th biophysical chemistry conference, Tabriz, Iran, 22-24 may, 2013.

17) Quantum mechanical study of antioxidative ability and antioxidative mechanism of chrysin in solution, Mina Ghiasi, Narges Gerayeli, 12th biophysical chemistry conference, Tabriz, Iran, 22-24 may, 2013.

18) A quantum mechanical study for enzymatic molecular mechanism of O-GlcNAcase to design new inhibitors, Mina Ghiasi, Zohreh Hasanzadeh, 16th

Chemistry International Congress, Yazd, Iran, 7-9 Sep, 2013.

19) Thermodynamic study of bioflavonoids antioxidant activity by using quantum mechanical calculation, Mina Ghiasi, Masoumeh Naji, Majid M. Heravi, 20th Organic Chemistry Seminar, Hamedan, Iran, 3-5 Jul, 2013.

20) The solvent effects on the catalytic mechanism and inhibition of the dinuclear zinc metallo-β-lactamase by β-lactam antibiotics by using QM calculation, Mina Ghiasi, Bahareh Noohi, Mansour Zahedi, 16th Physical chemistry conference, Mazandaran, Iran, 22-24 may, 2013.

21) Theoretical study of inclusion complex between β-cyclodextrin and chrysin: A quantum mechanical approach, Mina Ghiasi, Narges Gerayeli, Mazandaran, Iran, 2013.

22) Gas contaminants capturing by carbonic anhydrase catalyst: A quantum mechanical approach, Mina Ghiasi, Nahal Majdoddin, National conference catalysis in oil, gas, petrochemical and steel,  Shahreza, Iran, 29 Janu, 2014.

23) Carbon dioxide elimination from natural gas using γ-CA: Kinetic point of view. Nahal Majdodin, Mina Ghiasi, National conference on knowledge based development of oil, gas and petrochemical industries, Razi petrochemical Co., Iran, 27 Feb, 2014.

24) CO2 capturing from natrul gas using γ-CA: A thermodynamic approach, Mina Ghiasi, Nahal Majdoddin, 1th National conference of new technology in chemical and petro chemical, Tehran, Iran, 17 Apr, 2014.

25) Quantum mechanical investigation on QSAR in the inhibition of the beta-lactam antibiotics algoritm, Mina Ghiasi, Bahareh Noohi, Mansour Zahedi, Maryam Haghighi, 17th Iranian physical chemistry conference, Tehran, Iran, 21 Oct 2014.

26) A quantum mechanical investigation of enzymatic hydrolysis reaction of cytoplasmic O-GlcNAcase isoform, Mina Ghiasi, Roghayeh Askari, 17th Iranian physical chemistry conference, Tehran, Iran, 21 Oct 2014.

27) Quantum Mechanical investigation on cumarin as a new class of inhibitors for carbonic anhudrase, Mina Ghiasi, Elham Ghorbani, 17th Iranian physical chemistry conference, Tehran, Iran, 21 Oct 2014.

28) Catalytic activity of vanadium on oxidative dehydrogenation of propan: Kinetic and thermodynamic point of view, Mina Ghiasi, R. Mosavi, A. Fallah Shojaee, 4th theoretical and computational chemistry seminar and workshop, Tehran, Iran,28 Jan 2015.

29) searching for antioxidant properties in natural polysaccharides against reactive oxygen species, Mina Ghiasi, Maryam Fazeli, 7th seminar of chemistry and environment, Tehran, Iran, 26 Agu 2015.

30) Theoretical simulation of catalytic cycle of carbonic anhydrase in CO2 exchange processes, Mina Ghiasi, Mina Seifi, 7th seminar of chemistry and environment, Tehran, Iran, 26 Agu 2015.

 

 

Course Interests

General Chemistry

Physical chemistry

Quantum Chemistry

Molecular Spectroscopy

Biochemistry

Statistical thermodynamic

Computational Chemistry

 

Research Interests

 

1-Nuclear magnetic resonance spectroscopy and its application to identification of bio molecule, and Study of molecular structures and molecular dynamics by advance techniques of NMR and quantum mechanical calculations in biomolecules.

2- Theoretical study of catalytic enzyme mechanism in the present of activators and inhibitors to design the new drugs.

3- Theoretical study of antioxidative ability and antioxidative mechanism of natural compounds.

 

Employment:

February 2009-present

Department of chemistry, Alzahra University, Vanak, Tehran, Iran

 

Graduated M.S. student

Supervisor:
                1)Student Name: Saeedeh Kamalinahad

Thesis title: Theoretical study of interaction between topiramate drug and some it’s derivatives with HCA enzyme by using quantum mechanical methods.
2)Student Name: Afsaneh Azadnia

Thesis title: Theoretical study of interaction between Heme and vitamin P by using quantum mechanical methods.

 3)Student Name: Mona Taheri

Thesis title: Theoretical study of molecular mechanism for CA‘s activators in present of water solvent by using quantum mechanical calculations.  

 4)Student Name: Bahare Noohi

Thesis title: Theoretical study of reaction mechanism of interaction between active center of dinuclear zinc metallo-β-lactamase and some antibiotics in solution phase.

 5)Student Name: Masoumeh Molaee

Thesis title: Calculation of thermodynamic functions for conversion of natural biliverdin to bilirubin and interaction between bilirubin and PTTCA-Mn(II) biosensor by using quantum mechanics calculations.

6)Student Name: Narges Gerayeli

Thesis title:Theoretical study of interaction between some of flavonoids and β-cyclodextrin as drug carrier by using quantum mechanical calculation.

 7)Student Name: Zohre Hasanzade

Thesis title: Theoretical study of molecular mechanism for O-Glycoprotein 2-acetamino-2-deoxy- β-D-glucopyranosidase (o-GlcNAcase)enzyme in order to design of new inhibitors.

8)Student Name: Somaye Hemati

Thesis title: Theoretical study of interaction between some activators and different forms of CA from thermodynamic point of view.

9)Student Name: Samira Nasiri

Thesis title: Theoretical study of molecular carbon dioxide conversion reaction mechanism to bicarbonate by carbonic anhydrase enzyme by quantum mechanical calculations from thermodynamic point of view

10)Student Name: Fatemeh HeidarPour

Thesis title: Theoretical study of interaction between coumarin and thiocoumarin inhibitors with human carbonic anhydrase (hCA(II)) active site by using mechanical calculations.

11)Student Name: Elham Ghorbani

Thesis title: Theoretical study of molecular mechanism for O-Glycoprotein 2-acetamino-2-deoxy- β-D-glucopyranosidase (o-GlcNAcase) enzyme in order to design of new

12)Student Name: Roghaye Askari

Thesis title: Theoretical study of molecular mechanism for enzyme function O-Glycoprotein 2-acetamino-2-deoxy-β-D-glucopyranosidase (O-GlcNAcase) enzyme in order to design of new inhibitors.

  

Advisor:

1)Student Name: Zahra Jamshidi-Avanaki

Thesis title: Investigation of vibrational modes and hydrogen bonding in Ethyendiamine.

 2) Student Name: Parvaneh Alizadeh

Thesis title: Calculation of tunneling frequency in β -liketiminate ligand.

 3) Student Name: Mahdie Abedi

Thesis title: Investigation of intramolecular hydrogen bonding in Tropolone and 3-hydroxy-4-pyrone.

 4) Student Name: Nazanin Ghobadi

Thesis title: Synthesis of some oxygen containing heterocyclic compounds using nano-magnetite catalyst.

5) Student Name: Talat Zarezadeh

Thesis title: NBO studies on the properties of tropolone and x-complex.

6) Student Name: Faeze Moghzi

Thesis title: Synthesis, characterization and investigation of catalytic activity of some metal-organic framework (MOF) (Zn, Cu,…) .

7) Student Name: Yasam Sadeghi

Thesis title: Synthesis characterization and investigation on catalytic behavior of vanadium metal organic frameworks.

8) Student Name: Maryam Hadizade

Thesis title: Theoretical study of antioxidant properties of C60 molecules by using quantum mechanical calculations.

9) Student Name: Nasim Asadi

Thesis title: Theoretical study of catalyzer effect sciff base of Cu(II) and Ni(II) complexes in oxidation of olefins by using of quantum mechanical calculations