Hassan Hashemipour | Shahid Bahonar University of Kerman (original) (raw)
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Papers by Hassan Hashemipour
Current Microbiology
D614G is one of the most reported mutations in the spike protein of SARS-COV-2 that has altered s... more D614G is one of the most reported mutations in the spike protein of SARS-COV-2 that has altered some crucial characteristics of coronaviruses, such as rate of infection and binding affinities. The binding affinity of different antiviral drugs was evaluated using rigid molecular docking. The reliability of the docking results was evaluated with the induced-fit docking method, and a better understanding of the drug-protein interactions was performed using molecular dynamics simulation. The results show that the D614G variant could change the binding affinity of antiviral drugs and spike protein remarkably. Although Cytarabine showed an appropriate interaction with the wild spike protein, Ribavirin and PMEG diphosphate exhibited a significant binding affinity to the mutated spike protein. The parameters of the ADME/T analysis showed that these drugs are suitable for further in-vitro and in-vivo investigation. D614G alteration affected the binding affinity of the RBD and its receptor on the cell surface.
The Canadian Journal of Chemical Engineering, 2022
The main objective of this paper is to examine the effect of nanomaterials on mass transfer coeff... more The main objective of this paper is to examine the effect of nanomaterials on mass transfer coefficient in bubble type absorption of carbon dioxide by experiment. The absorption process is carried out in a bubble column and in room temperature. Mass transfer coefficient, saturated concentration of CO2, and gas holdup are determined in this system. The kinds of nanomaterials, the concentrations of each one and the gas superficial velocity are considered as the key parameters. The results show that the mass fraction of nanomaterials has an optimum value to the mass transfer coefficient and saturated concentration of CO2. 0.07% CNT nanofluid increases the mass transfer coefficient up to 78%. The superficial velocity of CO2 enhances mass transfer coefficient and gas holdup within the experimental range, whilst it has no effect on saturated concentration of CO2. In addition, nanomaterials in solution increase the gas holdup.
In this study, synthesis of copper nanoparticles and effect of the reaction conditions on the par... more In this study, synthesis of copper nanoparticles and effect of the reaction conditions on the particle size were investigated. The copper nanoparticles were synthesized and stabilized in a narrow temperature range in the presence of polyvinylpyrrolidone under nitrogen atmosphere. Reaction temperature and concentration ratio of the reducing agent to the precursor (R/P) as two main conditions influenced the reaction progress and size on the copper nanoparticles. This study showedn that the copper nanoparticles were formed when parameter R/P was greater than 2 (4 and 6) in the temperatures ranges of 60 to 75 o C. The averaged size of the synthesized copper nanoparticles in the optimized conditions was about 30 nm. The rResults showed that the synthesized copper nanoparticles were oxidized due to the exposure to air for a long time and thereafter it re-dissolves in the aqueous solution.
In this study, it was shown that how CO2 and H2S were removed from a natural gas stream, using a ... more In this study, it was shown that how CO2 and H2S were removed from a natural gas stream, using a nanofluid containing nanoporous graphene in Diehanolamine (DEA). Before running the experiments, the appropriate values were chosen for the nanosheet dosage and the liquid and gas flow rates in the absorption experiments, which were performed in a laboratory scale wetted wall column. In the experiments, the nanosheet concentration ranged from 0.005 to 0.5 wt %.The surfactants and ultrasonic treatment were used to prepare stable nanofluids. It was indicated that using nanoporous graphene in DEA significantly affects on CO2 and H2S absorption in comparison to DEA. The absolute zeta potential values of nanofluids were greater than +35 mV. The effect of different parameters including nanosheet concentration as well as the CO2 and H2S concentration, in the feed gas stream (two different samples) on simultaneous absorption of H2S and CO2 from CO2-H2S-CH4 gas mixture was studied. In the case o...
Journal of Cellular Biochemistry, 2021
Glioblastoma is the most common and destructive brain tumor with increasing complexity. Flavonoid... more Glioblastoma is the most common and destructive brain tumor with increasing complexity. Flavonoids are versatile natural compounds with the approved anticancer activity, which could be considered as a potential treatment for glioblastoma. A quantitative structure-activity relationship (QSAR) can provide adequate data for understanding the role of flavonoids structure against glioblastoma. The IC50 of various flavonoids for the U-87 cell line was used to prepare an adequate three-dimensional QSAR (3D-QSAR) model. The validation of the model was carried out using some statistical parameters such as R2 and Q2 . Based on the QSAR model, the activities of other marketed and newly designed flavonoids were predicted. Molecular docking study and molecular dynamics (MD) simulation were conducted for better recognition of the interactions between the most active compounds and Bcl-2 family proteins. Moreover, an AMDE/T analysis was performed for the most active flavonoids. A reliable 3D-QSAR was performed with R2 and Q2 of 0.91 and 0.82. The molecular docking study revealed that BCL-XL has a higher binding affinity with the most active compounds, and the MD simulation showed that some residues of the BH3 domain, such as Phe97, Tyr101, Arg102, and Phe105 create remarkable hydrophobic interactions with the ligands. ADME/T analysis also showed the potential of the active compounds for further investigation. 3D-QSAR study is a beneficial method to evaluate and design anticancer compounds. Considering the results of the molecular docking study, MD simulation, and ADME/T analysis, the designed compound 54 could be considered as a potential treatment for glioblastoma.
Chemical Engineering Journal, 2008
... Permissions & Reprints. Review. Kinetic study and mathematical modeling of coal char ... more ... Permissions & Reprints. Review. Kinetic study and mathematical modeling of coal char activation. Hassan H. Rafsanjani a , Corresponding Author Contact Information , E-mail The Corresponding Author and Esmail Jamshidi b. a Chemical Engineering Department, Sh. ...
Biochemical Engineering Journal, 2006
The studies on adsorption of hexavalent chromium were conducted by varying various parameters suc... more The studies on adsorption of hexavalent chromium were conducted by varying various parameters such as contact time, pH, amount of adsorbent, concentration of adsorbate and temperature. The kinetics of adsorption of Cr(VI) ion followed pseudo second order. Langmuir adsorption isotherm was employed in order to evaluate the optimum adsorption capacity of the adsorbent. The adsorption capacity was found to be pH dependant. Sawdust was found to be very effective and reached equilibrium in 3 h (adsorbate concentration 30 mg l −1). The rate constant has been calculated at 303, 308, 313 and 318 K and the activation energy (E a) was calculated using the Arrhenius equation. Thermodynamic parameters such as standard Gibbs energy (G •) and heat of adsorption (H r) were calculated. The G • and H r values for Cr(VI) adsorption on the sawdust showed the process to be exothermic in nature. The percentage of adsorption increased with decrease in pH and showed maximum removal of Cr(VI) in the pH range 4.5-6.5 for an initial concentration of 5 mg l −1 .
A carbon nanotube (CNT) is a miniature cylindrical carbon structure that has hexagonal graphite m... more A carbon nanotube (CNT) is a miniature cylindrical carbon structure that has hexagonal graphite molecules attached at the edges. Nanotubes look like a powder or black soot, but they're actually rolled-up sheets of graphene that form hollow strands with walls that are only one atom thick. Carbon nanotube has been one of the most actively explored materials in recent year(s) due to its unique properties and wide range of applications. Various methods have been adopted to produce CNT, including laser ablation, arc discharge and CVD process. Chemical vapor deposition (CVD) is parent to a family of processes whereby a solid material is deposited from a vapor by a chemical reaction occurring on or in the vicinity of a normally heated substrate surface. The resulting solid material is in the form of a thin film, powder, or single crystal. Among these methods, the chemical vapor deposition method is a cheap and simple method. Supercritical fluids, particularly supercritical CO2, have be...
Journal of Saudi Chemical Society
Journal of Environmental Chemical Engineering
Environmental Science and Pollution Research
Journal of Alloys and Compounds
Arabian Journal of Chemistry
Journal of Molecular Liquids
Current Microbiology
D614G is one of the most reported mutations in the spike protein of SARS-COV-2 that has altered s... more D614G is one of the most reported mutations in the spike protein of SARS-COV-2 that has altered some crucial characteristics of coronaviruses, such as rate of infection and binding affinities. The binding affinity of different antiviral drugs was evaluated using rigid molecular docking. The reliability of the docking results was evaluated with the induced-fit docking method, and a better understanding of the drug-protein interactions was performed using molecular dynamics simulation. The results show that the D614G variant could change the binding affinity of antiviral drugs and spike protein remarkably. Although Cytarabine showed an appropriate interaction with the wild spike protein, Ribavirin and PMEG diphosphate exhibited a significant binding affinity to the mutated spike protein. The parameters of the ADME/T analysis showed that these drugs are suitable for further in-vitro and in-vivo investigation. D614G alteration affected the binding affinity of the RBD and its receptor on the cell surface.
The Canadian Journal of Chemical Engineering, 2022
The main objective of this paper is to examine the effect of nanomaterials on mass transfer coeff... more The main objective of this paper is to examine the effect of nanomaterials on mass transfer coefficient in bubble type absorption of carbon dioxide by experiment. The absorption process is carried out in a bubble column and in room temperature. Mass transfer coefficient, saturated concentration of CO2, and gas holdup are determined in this system. The kinds of nanomaterials, the concentrations of each one and the gas superficial velocity are considered as the key parameters. The results show that the mass fraction of nanomaterials has an optimum value to the mass transfer coefficient and saturated concentration of CO2. 0.07% CNT nanofluid increases the mass transfer coefficient up to 78%. The superficial velocity of CO2 enhances mass transfer coefficient and gas holdup within the experimental range, whilst it has no effect on saturated concentration of CO2. In addition, nanomaterials in solution increase the gas holdup.
In this study, synthesis of copper nanoparticles and effect of the reaction conditions on the par... more In this study, synthesis of copper nanoparticles and effect of the reaction conditions on the particle size were investigated. The copper nanoparticles were synthesized and stabilized in a narrow temperature range in the presence of polyvinylpyrrolidone under nitrogen atmosphere. Reaction temperature and concentration ratio of the reducing agent to the precursor (R/P) as two main conditions influenced the reaction progress and size on the copper nanoparticles. This study showedn that the copper nanoparticles were formed when parameter R/P was greater than 2 (4 and 6) in the temperatures ranges of 60 to 75 o C. The averaged size of the synthesized copper nanoparticles in the optimized conditions was about 30 nm. The rResults showed that the synthesized copper nanoparticles were oxidized due to the exposure to air for a long time and thereafter it re-dissolves in the aqueous solution.
In this study, it was shown that how CO2 and H2S were removed from a natural gas stream, using a ... more In this study, it was shown that how CO2 and H2S were removed from a natural gas stream, using a nanofluid containing nanoporous graphene in Diehanolamine (DEA). Before running the experiments, the appropriate values were chosen for the nanosheet dosage and the liquid and gas flow rates in the absorption experiments, which were performed in a laboratory scale wetted wall column. In the experiments, the nanosheet concentration ranged from 0.005 to 0.5 wt %.The surfactants and ultrasonic treatment were used to prepare stable nanofluids. It was indicated that using nanoporous graphene in DEA significantly affects on CO2 and H2S absorption in comparison to DEA. The absolute zeta potential values of nanofluids were greater than +35 mV. The effect of different parameters including nanosheet concentration as well as the CO2 and H2S concentration, in the feed gas stream (two different samples) on simultaneous absorption of H2S and CO2 from CO2-H2S-CH4 gas mixture was studied. In the case o...
Journal of Cellular Biochemistry, 2021
Glioblastoma is the most common and destructive brain tumor with increasing complexity. Flavonoid... more Glioblastoma is the most common and destructive brain tumor with increasing complexity. Flavonoids are versatile natural compounds with the approved anticancer activity, which could be considered as a potential treatment for glioblastoma. A quantitative structure-activity relationship (QSAR) can provide adequate data for understanding the role of flavonoids structure against glioblastoma. The IC50 of various flavonoids for the U-87 cell line was used to prepare an adequate three-dimensional QSAR (3D-QSAR) model. The validation of the model was carried out using some statistical parameters such as R2 and Q2 . Based on the QSAR model, the activities of other marketed and newly designed flavonoids were predicted. Molecular docking study and molecular dynamics (MD) simulation were conducted for better recognition of the interactions between the most active compounds and Bcl-2 family proteins. Moreover, an AMDE/T analysis was performed for the most active flavonoids. A reliable 3D-QSAR was performed with R2 and Q2 of 0.91 and 0.82. The molecular docking study revealed that BCL-XL has a higher binding affinity with the most active compounds, and the MD simulation showed that some residues of the BH3 domain, such as Phe97, Tyr101, Arg102, and Phe105 create remarkable hydrophobic interactions with the ligands. ADME/T analysis also showed the potential of the active compounds for further investigation. 3D-QSAR study is a beneficial method to evaluate and design anticancer compounds. Considering the results of the molecular docking study, MD simulation, and ADME/T analysis, the designed compound 54 could be considered as a potential treatment for glioblastoma.
Chemical Engineering Journal, 2008
... Permissions & Reprints. Review. Kinetic study and mathematical modeling of coal char ... more ... Permissions & Reprints. Review. Kinetic study and mathematical modeling of coal char activation. Hassan H. Rafsanjani a , Corresponding Author Contact Information , E-mail The Corresponding Author and Esmail Jamshidi b. a Chemical Engineering Department, Sh. ...
Biochemical Engineering Journal, 2006
The studies on adsorption of hexavalent chromium were conducted by varying various parameters suc... more The studies on adsorption of hexavalent chromium were conducted by varying various parameters such as contact time, pH, amount of adsorbent, concentration of adsorbate and temperature. The kinetics of adsorption of Cr(VI) ion followed pseudo second order. Langmuir adsorption isotherm was employed in order to evaluate the optimum adsorption capacity of the adsorbent. The adsorption capacity was found to be pH dependant. Sawdust was found to be very effective and reached equilibrium in 3 h (adsorbate concentration 30 mg l −1). The rate constant has been calculated at 303, 308, 313 and 318 K and the activation energy (E a) was calculated using the Arrhenius equation. Thermodynamic parameters such as standard Gibbs energy (G •) and heat of adsorption (H r) were calculated. The G • and H r values for Cr(VI) adsorption on the sawdust showed the process to be exothermic in nature. The percentage of adsorption increased with decrease in pH and showed maximum removal of Cr(VI) in the pH range 4.5-6.5 for an initial concentration of 5 mg l −1 .
A carbon nanotube (CNT) is a miniature cylindrical carbon structure that has hexagonal graphite m... more A carbon nanotube (CNT) is a miniature cylindrical carbon structure that has hexagonal graphite molecules attached at the edges. Nanotubes look like a powder or black soot, but they're actually rolled-up sheets of graphene that form hollow strands with walls that are only one atom thick. Carbon nanotube has been one of the most actively explored materials in recent year(s) due to its unique properties and wide range of applications. Various methods have been adopted to produce CNT, including laser ablation, arc discharge and CVD process. Chemical vapor deposition (CVD) is parent to a family of processes whereby a solid material is deposited from a vapor by a chemical reaction occurring on or in the vicinity of a normally heated substrate surface. The resulting solid material is in the form of a thin film, powder, or single crystal. Among these methods, the chemical vapor deposition method is a cheap and simple method. Supercritical fluids, particularly supercritical CO2, have be...
Journal of Saudi Chemical Society
Journal of Environmental Chemical Engineering
Environmental Science and Pollution Research
Journal of Alloys and Compounds
Arabian Journal of Chemistry
Journal of Molecular Liquids