Publications:
90- Kalhor, Sepideh; Fattahi, Alireza; "Design of amino acid-and carbohydrate-based anticancer drugs to inhibit polymerase η"; Scientific Reports, 2022
89- Kotena, Zahrabatoul Mosapour; Fattahi, Alireza; "Computational insight into networking H-bonds in open and cyclic forms of galactose"; Journal of Molecular Structure, 2022
88- Taherinia, Davood; Fattahi, Alireza; "Inducing High Exo Selectivity in Diels-Alder Reaction by Dimethylborane Substituent: A DFT"; Scientific Reports, 2022
87- Kalhor, Sepideh; Fattahi, Alireza; "In silico design of novel anticancer drugs with amino acid and carbohydrate building blocks to inhibit PIM kinases"; Molecular Simulation, 2022
86- Kalhor, Sepideh; Fattahi, Alireza; "Design of ionic liquids containing glucose and choline as drug carriers, finding the link between QM and MD studies" Scientific Reports, 2022
85- Kaboudin, Babak; Faghih, Samaneh; Alavi, Sajedeh; Naimi-Jamal, Mohammad Reza; Fattahi, Alireza; "An Efficient One-Pot Synthesis of 1-Aminophosphonates" Synthesis, 2022
84- Kotena, Zahrabatoul Mosapour; Fattahi, Alireza; "Computational insight into networking H‐bonds in open and cyclic forms of glucose" Journal of Physical Organic Chemistry, 2022
83- Ahmadi, Aliakbar; Kassaee, Mohamad Z; Ayoubi‐Chianeh, Mojgan; Fattahi, Alireza; "Gold at crossroads of radical generation and scavenging at density functional theory level: Nitrogen and oxygen free radicals versus their precursors in the face of nanogold"; Journal of Physical Organic Chemistry, 2021
82- Kalhor, Sepideh; Fattahi, Alireza; "Design of carboxylate-based ionic liquids (ILs) containing OH and CF3 groups; influence of intramolecular hydrogen bonds and inductive effect on the binding energy between the cation and anion of ILs, a DFT study"; New Journal of Chemistry, 2021
81- Daneshfar, Maryam; Fattahi, Alireza; "Hydrogen bonding effects on acidity enhancement of barbiturates and their metabolites in gas and solution phase, a DFT study"; Computational and Theoretical Chemistry, 2021
80- Rahimi, Mona; Fattahi, Alireza; "Acidity enhancement of α‐carbon of beta diketones via hydroxyl substituents: A density functional theory study" ; Journal of Physical Organic Chemistry, 2021
79- Taherinia, Davood; Mahmoodi, M Mohsen; Fattahi, Alireza; "Theoretical investigation of the effect of hydrogen bonding on the stereoselectivity of the Diels Alder reaction" ; New Journal of Chemistry, 2021
78- Kotena, Zahrabatoul Mosapour; Fattahi, Alireza; "Comparison of acidity and metal ion affinity of D-Glucosamine and N-acetyl-D-glucosamine, a DFT study"; Journal of Molecular Graphics and Modelling, 2020
77- Kotena, Zahrabatoul Mosapour; Fattahi, Alireza; "Influence of H‐bonds on acidity of deoxy‐hexose sugars"; Journal of Physical Organic Chemistry, 2020
76- Ahmadi, Aliakbar; Kassaee, Mohamad Z; Ayoubi-Chianeh, Mojgan; Fattahi, Alireza; "New pathways of stability for NHCs derived from azole, di-azole, n-tetrazole, and ab-tetrazole, by DFT"; Journal of Molecular Modeling, 2020
75- Bayat, Ahmad; Fattahi, Alireza; "Influence of remote intramolecular hydrogen bonding on the acidity of hydroxy‐1, 4‐benzoquinonederivatives: A DFT study"; Journal of Physical Organic Chemistry, 2019
74- Bayat, Ahmad; Fattahi, Alireza; "The free radical scavenging activity of lespedezacoumestan toward OH radical: a quantum chemical and computational kinetics study"; Journal of Physical Organic Chemistry, 2018
73- Ahmadi, Aliakbar; Kassaee, Mohammad Zaman; Fattahi, Alireza; "Does gold cluster promote or scavenge radicals? A controversy at DFT", Journal of Physical Organic Chemistry, 2018
72- Kheirjou, Somayyeh; Fattahi, Alireza; "Ionic liquid based on 6‐amino‐6‐deoxy hexopyranose cation and BF4, PF6, and ClO4 as anions: A DFT study on the structural and electronic properties"; Journal of Physical Organic Chemistry, 2018
71- Bayat, Ahmad; Fattahi, Alireza; "The free radical scavenging activity of lespedezacoumestan toward (OH)-O-center dot radical: A quantum chemical and computational kinetics study", Journal of Physical Organic Chemistry, 2018
70- Fattahi, Alireza; Lis, Lev; Kass, Steven R; "Styrene energetics and characterization of its conjugate base: An example of isotopic labeling gone awry"; International Journal of Mass Spectrometry, 2017
69- Khairallah, George N; Meyer, Matthew M; Richard, AJ; Fattahi, Alireza; Schmidt, Jacob; Kass, Steven R; "Reactions of doubly deprotonated 2, 6-naphthalenedicarboxylic acid with alcohols: Proton transfer versus solvation"; International Journal of Mass Spectrometry, 2017
68- Bayat, Ahmad; Fattahi, Alireza; "A quantum chemical study on the OH radical quenching by natural antioxidant fisetin"; Journal of Physical Organic Chemistry, 2017
67- Motahari, Ahmad; Fattahi, Alireza; "Theoretical aspects of the enhancement of metal binding affinity by intramolecular hydrogen bonding and modulating pKa values"; New Journal of Chemistry,2017
66- Fattahi, Alireza; Lis, Lev; Kass, Steven R; "Phenylcyclopropane energetics and characterization of its conjugate base: phenyl substituent effects and the C-H bond dissociation energy of cyclopropane"; The Journal of Organic Chemistry, 2016
65- Samet, Masoud; Fattahi, Alireza; Kass, Steven R; "Stereoelectronic effects: a simple yet powerful tool to manipulate anion affinity" ; Organic & Biomolecular Chemistry, 2015
64- Samet, Masoud; Danesh-Yazdi, Mohammad; Fattahi, Alireza; Kass, Steven R; "Power of a remote hydrogen bond donor: anion recognition and structural consequences revealed by IR spectroscopy" ; The Journal of Organic Chemistry, 2015
63- Ahmadi, Ali A; Fattahi, Alireza; "Influence of a β-OH substituent on SN2 reactions of fluoroethane: Intramolecular hydrogen bonding catalysis or inhibition? A theoretical study" ; Computational and Theoretical Chemistry, 2015
62- Vafaeezadeh, Majid; Fattahi, Alireza; "DFT investigations for Fischer esterification mechanism over silica-propyl-SO3H catalyst: is the reaction reversible?"; Computational and Theoretical Chemistry, 2015
61- Vafaeezadeh, Majid; Fattahi, Alireza; "Interaction of ionic liquids with the surface of silica gel using nanocluster approach: a combined density functional theory and experimental study"; Journal of Physical Organic Chemistry, 2014
60- Kheirjou, Somayyeh; Abedin, Azardokht; Fattahi, Alireza; Hashemi, Mohammad Mahmoodi; "Excellent response of the DFT study to the calculations of accurate relative pKa value of different benzo-substituted quinuclidines"; Computational and Theoretical Chemistry, 2014
59- Kheirjou, Somayyeh; Fattahi, Alireza; Hashemi, Mohammad Mahmoodi; "The intramolecular cation-π interaction of some aryl amines and its drastic influence on the basicity of them: AIM and NBO analysis"; Computational and Theoretical Chemistry, 2014
58- Najdian, Atena; Shakourian‐Fard, Mehdi; Fattahi, Alireza; "Cooperativity effects of intramolecular OH .... O interactions on pKa values of polyolalkyl sulfonic acids in the gas phase and solution: a density functional theory study"; Journal of Physical Organic Chemistry, 2014
57- Fattahi, Alireza; Liebman, Joel F; Miranda, Margarida S; Morais, Victor MF; Matos, M Agostinha R; Lis, Lev; Kass, Steven R; "Indenone and cyclopentadienone energetics via mass spectrometry and computations: Are these species antiaromatic or merely nonaromatic?" ; International Journal of Mass Spectrometry, 2014
56- Vafaeezadeh, Majid; Fattahi, Alireza; "Calculating the acidity of silica supported alkyl sulfonic acids considering the matrix effect: a DFT study"; Phosphorus, Sulfur, and Silicon and the Related Elements, 2014
55- Vafaeezadeh, Majid; Fattahi, Alireza; "A study on the catalytic activity and theoretical modeling of a novel dual acidic mesoporous silica"; RSC Advances, 2014
54- Shokri, Alireza; Ramezani, Marzieh; Fattahi, Alireza; Kass, Steven R; "Electrostatically Defying Cation-Cation Clusters: Can Likes Attract in a Low-Polarity Environment?"; The Journal of Physical Chemistry A, 2013
53- Torabifard, Hedieh; Fattahi, Alireza; "DFT study on Thiotepa and Tepa interactions with their DNA receptor"; Structural Chemistry, 2013
52- Shakourian-Fard, Mehdi; Jamshidi, Zahra; Bayat, Ahmad; Fattahi, Alireza; "Structural and electronic properties of alkyl-trifluoroborate based ionic liquids: A theoretical study"; Journal of Fluorine Chemistry, 2013
51- Bayat, Ahmad; Fattahi, Alireza; "Investigation of the scavenging mechanism of tyrosyl radical by hydroxybenzohydroxamic acid derivatives: A DFT study"; Computational and Theoretical Chemistry, 2013
50- Aliakbar Tehrani, Zahra; Shakourian-Fard, Mehdi; Fattahi, Alireza; "Computational investigation of thermochemical properties of non-natural C-nucloebases: different hydrogen-bonding preferences for non-natural Watson-Crick base pairs"; Structural Chemistry, 2013
49- Shakourian-Fard, Mehdi; Fattahi, Alireza; "Influence of Cation-Heteroatom (Li+, Na+, and K+) Interaction on the Structural and Thermochemical Properties of 2′-Deoxythymidine nucleoside: QTAIM and NBO analyzes"; Journal of Theoretical and Computational Chemistry, 2013
48- Kheirjou, Somayyeh; Mehrpajouh, Sima; Fattahi, Alireza; "Drastic influence of boron atom on the acidity of alcohol in both gas phase and solution phase, a DFT study"; Journal of Theoretical and Computational Chemistry, 2013
47- Aliakbar Tehrani, Zahra; Fattahi, Alireza; "Comparison of gas phase intrinsic properties of cytosine and thymine nucleobases with their O-alkyl adducts: different hydrogen bonding preferences for thymine versus O-alkyl thymine"; Journal of molecular modeling, 2013
46- Aliakbar Tehrani, Zahra; Fattahi, Alireza; "Conformational aspects of glutathione tripeptide: electron density topological & natural bond orbital analyses"; Structural Chemistry, 2013
45- Shokri, Alireza; Abedin, Azardokht; Fattahi, Alireza; Kass, Steven R; "Effect of hydrogen bonds on pKa values: importance of networking"; Journal of the American Chemical Society, 2012
44- Shakourian-Fard, Mehdi; Fattahi, Alireza; Bayat, Ahmad; "Ionic liquid based on α-amino acid anion and N7, N9-dimethylguaninium cation ([dMG][AA]): theoretical study on the structure and electronic properties"; The Journal of Physical Chemistry A, 2012
43- Aliakbar Tehrani, Zahra; Jamshidi, Zahra; Jebeli Javan, Marjan; Fattahi, Alireza; "Interactions of glutathione tripeptide with gold cluster: influence of intramolecular hydrogen bond on complexation behavior"; The Journal of Physical Chemistry A, 2012
42- Nasiri, Mohammadreza; Shakourian‐Fard, Mehdi; Fattahi, Alireza; "Influence of the hydrogen bonding on the basicity of selected macrocyclic amines"; Journal of Physical Organic Chemistry, 2012
41- Shakourian-Fard, Mehdi; Fattahi, Alireza; "Theoretical investigation on the structural and electronic properties of complexes formed by thymine and 2′-deoxythymidine with different anions"; Structural Chemistry, 2012
40- Fattahi, Alireza; Lis, Lev; Tehrani, Zahra A; Marimanikkuppam, Sudha S; Kass, Steven R; "Experimental and computational bridgehead C-H bond dissociation enthalpies"
The Journal of Organic Chemistry, 2012
39- Tehrani, Zahra Aliakbar; Javan, Marjan Jebeli; Fattahi, Alireza; Hashemi, Mohammad Mahmoodi; "Effect of Cation Radical Formation on Reactivity and Acidity Enhancement of Cytosine Nucleobase: Natural Bond Orbital and Atom in Molecule Analysis"; Journal of Theoretical and Computational Chemistry, 2012
38- Kheirjou, Somayyeh; Abedin, Azardokht; Fattahi, Alireza; "Theoretical descriptors response to the calculations of the relative pKa values of some boronic acids in aqueous solution: A DFT study"; Computational and Theoretical Chemistry, 2012
37- Aliakbar Tehrani, Zahra; Torabifard, Hedieh; Fattahi, Alireza; "Thermochemical properties of some vinyl chloride-induced DNA lesions: detailed view from NBO & AIM analysis"; Structural Chemistry, 2012
36- Jebeli Javan, Marjan; Tehrani, Zahra Aliakbar; Fattahi, Alireza; Jamshidi, Zahra; "Can anion interaction accelerate transformation of cytosine tautomers? Detailed view form QTAIM analysis"; Structural Chemistry, 2012
35- Javan, Marjan Jebeli; Tehrani, Zahra Aliakbar; Fattahi, Alireza; Hashemi, Mohammad Mahmoodi; "How hydrogen‐bonded MnO4 can influence oxidation of olefins in both gas phase and solution?"; Journal of Physical Organic Chemistry, 2012
34- Shakourian-Fard, Mehdi; Nasiri, Mohammadreza; Fattahi, Alireza; Vafaeezadeh, Majid; "Influence of the water molecules (n= 1-6) on the interaction between Li+, Na+, K+ cations and indole molecule as tryptophan amino acid residue"; Structural Chemistry, 2012
33- Tehrani, Zahra Aliakbar; Abedin, Azar; Shakourian‐Fard, Mehdi; Fattahi, Alireza; "What roles do boron substitutions play in structural, tautomeric, base pairing and electronic properties of uracil? NBO & AIM analysis"; Journal of Physical Organic Chemistry, 2012
32- Javan, Marjan Jebeli; Jamshidi, Zahra; Tehrani, Zahra Aliakbar; Fattahi, Alireza; "Interactions of coinage metal clusters with histidine and their effects on histidine acidity; theoretical investigation"; Organic & Biomolecular Chemistry, 2012
31- Torabifard, Hedieh; Fattahi, Alireza; "Mechanisms and kinetics of thiotepa and tepa hydrolysis: DFT study"; Journal of molecular modeling, 2012
30- Ahmadi, Maryam S; Shakourian-Fard, Mehdi; Fattahi, Alireza; "Molecular structure and character of bonding of mono and divalent metal cations (Li+, Na+, K+, Mg2+, Ca2+, Zn2+, and Cu+) with guanosine: AIM and NBO analysis"; Structural Chemistry, 2012
29- Jebeli Javan, Marjan; Aliakbar Tehrani, Zahra; Fattahi, Alireza; "Structural behavior of sugar radicals formed by proton transfer reaction of deoxycytidine cation radical: detailed view from NBO analysis"; Structural Chemistry, 2012
28- Shakourian‐Fard, Mehdi; Fattahi, Alireza; Jamshidi, Zahra; "Interaction of cations with 2′‐deoxythymidine nucleoside and analysis of the nature and strength of cation bonds"; Journal of Physical Organic Chemistry, 2012
27- Tehrani, Z Aliakbar; Fattahi, A; Pourjavadi, A; "Influence of metal complexation on acidity of cytosine nucleosides: Part I, Li+, Na+ and K+ cation"; Scientia Iranica, 2012
26- Ahmadi, MS; Fattahi, A; "On the binding of Mg2+, Ca2+, Zn2+ and Cu+ metal cations to 2′-deoxyguanosine: changes on sugar puckering and strength of the N-glycosidic bond"; Scientia Iranica, 2011
25- Tehrani, Zahra Aliakbar; Javan, Marjan Jebeli; Fattahi, Alireza; Hashemi, Mohammad Mahmoodi; "Structures, stabilities & conformational behaviors of hydrogen-atom abstractions of cytosine nucleosides: AIM & NBO analysis"; Computational and Theoretical Chemistry, 2011
24- Tehrani, Zahra Aliakbar; Fattahi, Alireza; Javan, Marjan Jebeli; Hashemi, Mohammad Mahmoodi; "DFT Study on conformational behavior of hydrogen ion abstractions of cytosine nucleosides: AIM and NBO analysis"; Journal of Theoretical and Computational Chemistry, 2011
23- Fattahi, Alireza; Zekavat, Behrooz; Solouki, Touradj; "H/D exchange kinetics: experimental evidence for formation of different b fragment ion conformers/isomers during the gas-phase peptide sequencing"; Journal of the American Society for Mass Spectrometry, 2010
22- Tehrani, Zahra Aliakbar; Tavasoli, Elham; Fattahi, Alireza; "Conformational behavior and potential energy profile of gaseous histidine"; Journal of Molecular Structure: THEOCHEM, 2010
21- Ahmadi, Maryam S; Fattahi, Alireza; "DFT study on metal cationization and O6-protonation on 2′-Deoxyguanosine configuration: Changes on sugar puckering and strength of the N-glycosidic bond"; Journal of Theoretical and Computational Chemistry, 2010
20- Tian, Zhixin; Fattahi, Alireza; Lis, Lev; Kass, Steven R; "Single-centered hydrogen-bonded enhanced acidity (SHEA) acids: a new class of brønsted acids"; Journal of the American Chemical Society, 2009
19- Tian, Zhixin; Fattahi, Alireza; Lis, Lev; Kass, Steven R; "Neutral Intramolecular Hydrogen-Bonded Bases"; Croatica Chemica Acta, 2009
18- Tehrani, Zahra Aliakbar; Fattahi, Alireza; Pourjavadi, Ali; "DFT study of the interaction of cytidine and 2′-deoxycytidine with Li+, Na+, and K+: effects of metal cationization on sugar puckering and stability of the N-glycosidic bond"; Carbohydrate research, 2009
17- Tehrani, Zahra Aliakbar; Fattahi, Alireza; Pourjavadi, Ali; "Interaction of Mg2+, Ca2+, Zn2+ and Cu+ with cytosine nucleosides: Influence of metal on sugar puckering and stability of N-Glycosidic bond, a DFT study"; Journal of Molecular Structure: THEOCHEM, 2009
16- Rashidian, Mohammad; Fattahi, Alireza; "Comparison of thermochemistry of aspartame (artificial sweetener) and glucose"; Carbohydrate research, 2009
15- Tavasoli, Elham; Fattahi, Alireza; "DFT study of bond energies and attachment sites of sample divalent cations (Mg2+, Ca2+, Zn2+) to histidine in the gas phase"; Journal of Theoretical and Computational Chemistry, 2009
14- Tehrani, Zahra Aliakbar; Fattahi, Alireza; "Anion interactions of cytosine nucleobase and its nucleosides: Detailed view from DFT study"; Journal of Molecular Structure: THEOCHEM, 2009
13- Tavasoli, Elham; Fattahi, Alireza; "DFT study on gas-phase interaction between histidine and alkali metal ions (Li+, Na+, K+); and influence of these ions on histidine acidity"; Journal of Theoretical and Computational Chemistry, 2009
12- Fattahi, A; Shakorian Fard Jahromi, M; "DFT Study of the Interaction of Thymine with Cu+ and Zn2+"; Scientia Iranica, 2009
11- Fattahi, Alireza; Lis, Lev; Tian, Zhixin; Kass, Steven R; "The heat of formation of cyclobutadiene" Angewandte Chemie, 2006
10- Tian, Zhixin; Fattahi, Alireza; Lis, Lev; Kass, Steven R; "Cycloalkane and cycloalkene C− H bond dissociation energies" Journal of the American Chemical Society, 2006
9- Fattahi, Alireza; Kass, Steven R; Liebman, Joel F; Matos, M Agostinha R; Miranda, Margarida S; Morais, Victor MF; "The enthalpies of formation of o-, m-, and p-benzoquinone: gas-phase ion energetics, combustion calorimetry, and quantum chemical computations combined" Journal of the American Chemical Society, 2005
8- Fattahi, Alireza; Lis, Lev; Kass, Steven R; "Experimental determination of the heat of hydrogenation of phenylcyclobutadiene" Journal of the American Chemical Society, 2005
7- Fattahi, Alireza; Kass, Steven R; "Correlating acidities, electron affinities, and bond dissociation energies. Measure one, get all three!" The Journal of Organic Chemistry, 2004
6- Pratt, Lawrence M; Fattahi, Alireza; Kass, Steven R; "Tetrafluorobenzyne thermochemistry: experiment and theory"; European Journal of Mass Spectrometry, 2004
5- Fattahi, Alireza; McCarthy, Ralph E; Ahmad, Mohammad R; Kass, Steven R; "Why does cyclopropene have the acidity of an acetylene but the bond energy of methane?"; Journal of the American Chemical Society, 2003
4- Reed, Dana R; Hare, Michael C; Fattahi, Alireza; Chung, Gyusung; Gordon, Mark S; Kass, Steven R; "α, 2-, α, 3-, and α, 4-Dehydrophenol Radical Anions: Formation, Reactivity, and Energetics Leading to the Heats of Formation of α, 2-, α, 3-, and α, 4-Oxocyclohexadienylidene"; Journal of the American Chemical Society, 2003
3- Fattahi, Alireza; Solouki, Touradj; "Using solution equilibria to determine average molecular weight of the Suwannee River fulvic acids"; Analytica chimica acta, 2003
2- Reed, DR; Hare, MC; Fattahi, A; Chung, G; Gordon, MS; Kass, SR; "a, 2-, a, 3-, and a, 4-Dehydrophenol radical anions: Formation, reactivity, and energetics leading to the heats of formation of a, 2-, a, 3-, and a, 4-oxocyclohexadienylidene"; Journal of the American Chemical Society, 2003
1- Solouki, T; Fort, RC; Alomary, A; Fattahi, A; "Gas phase hydrogen deuterium exchange reactions of a model peptide: FT-ICR and computational analyses of metal induced conformational mutations"; Journal of the American Society for Mass Spectrometry, 2001
Selected International Seminar Presentations:
8- Alireza Fattahi;" The change of acidity and basicity of damaged DNA base pairs, a DFT study"; ACS (USA, Boston, summer 2018)
7- Alireza Fattahi; "Changes of Thermodynamic Properties of damaged DNA, A DFT Study"BIT's 7th Annual World Congress of Molecular and Cell Biology-2017, China
6- Alireza Fattahi; "Influence of DNA Lesions on the Thermochemical Properties of Damaged Nucleobases, A DFT Study"; BIT's 6th Annual World Congress of Molecular and Cell Biology-2016, China
5- Somayyeh kheirjou, Alireza Fattahi; "Ionic liquid based on 6-amino-6-deoxy hexopyranose cation and BF4, PF6, and ClO4, as anion: A DFT study on the structure and clectronic properties"; ACS (USA, Boston, summer 2015)
4- Mehdi Shakorian Fard Jahromi, Alireza Fattahi; "Effects of some biological cations on the 1,3 intramolecular hydrogen transfer in thymine"; ACS (USA, CA, spring 2010)
3- Maryam Alsadat Ahmadi ; Alireza Fattahi; "Effect of metal cationization on guanosine & deoxyguanosine configurations"; ACS (USA, Salt Lake City, spring 2009)
2- Elham Tavasoli, Maryam Ahmadi, Alireza Fattahi; "Interaction of histidine with some biological anions & formation of anion-anion clusters"; ACS (USA, New Orleans, spring 2008)
1-Alireza Fattahi, Mohammad Rashidian, Saeid Balalaie; "Comparison of thermochemical ; properties of aspartame & glucose"; ACS (USA, Salt Lake City, spring 2009)