kalil pourshamsian | Islamic Azad University , Tonekabon Branch (original) (raw)
Papers by kalil pourshamsian
![Research paper thumbnail of Supplementary_material_F – Supplemental material for Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solve...](https://attachments.academia-assets.com/90460504/thumbnails/1.jpg)
](Supplemental material, Supplementary_material_F for Theoretical investigations on the HOMO–LUMO g... more Supplemental material, Supplementary_material_F for Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and substituent effects by Marzieh Miar, Abolfazl Shiroudi, Khalil Pourshamsian, Ahmad Reza Oliaey and Farhad Hatamjafari in Journal of Chemical Research
International Journal of Molecular and Clinical Microbiology, Dec 1, 2013
The tautomerization reactions of the 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2<i... more The tautomerization reactions of the 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2<i>H</i>)-one studied by means of M06-2<i>x</i> and CBS-QB3 theoretical methods. The measured energy profiles are complemented with kinetic rate coefficients calculations using transition state theory (TST). In line with the optimized tautomers geometries using the CBS-QB3 method, the natural bond orbital (NBO) analysis reveals that the stabilization energies of non-bonding LP(e)<sub>S8</sub> to the σ*<sub>N2–C3</sub> antibonding orbitals increase from tautomers <b>1</b> to <b>2</b>. Furthermore, the delocalization energies of LP(e)<sub>S8</sub>→σ*<sub>N2–C3</sub> could explain the increase of LP(e)<sub>S8</sub> non-bonding orbitals occupancies in the tautomers <b>1</b> and <b>2</b> (2 > 1). The increase of LP(e)<sub>S8</sub>→σ*<sub>N2–C3<...
Abstract Objective: Punica granatum, commonly known as pomegranate, has emerged as a medicinal pl... more Abstract Objective: Punica granatum, commonly known as pomegranate, has emerged as a medicinal plant with potential antimicrobial activity. The present study was planned to evaluate this activity against both Gram positive Staphylococcus aureus (S. aureus) and ...
Quarterly Journal of Applied Chemical Research, 2014
In this work, stable crystalline phosphorus yields are obtained in good yields from the 1:1:1 add... more In this work, stable crystalline phosphorus yields are obtained in good yields from the 1:1:1 addition reactions between hydrazine derivatives and dialkyl acetylenedicarboxylates in the presence of triphenylphosphine at room temperature in dichloromethane. This synthetic method has merits of high yields, mild reaction conditions, and simple experimental and work-up conditions. The obtained yields exist in solution as a mixture of two geometric isomers. This is because of the restricted rotation around the carbon-carbon partial double bond resulting from conjugation of the yields moiety with the adjacent carbonyl group.
International Journal of Molecular and Clinical Microbiology, 2013
Article history: Received 14 May 2013 Accepted 21 November 2013 Available online 1 December 2013 ... more Article history: Received 14 May 2013 Accepted 21 November 2013 Available online 1 December 2013 Some N¬-acyl-N'-aryl thiourea derivatives 4(a-f) have been prepared by the reaction of acyl halides ammonium thiocyanate and aryl amines. The structures of synthesized compounds have been characterized by IR, 1HNMR spectral studies. The synthesized compounds 5(a-f) have been screened for antibacterial activity. The effect of the structure of the investigated compounds on the antibacterial activity is discussed.
Combinatorial Chemistry & High Throughput Screening
Aim and Objective: Microwave-assisted condensation of acetophenone 1 and aromatic aldehydes 2 gav... more Aim and Objective: Microwave-assisted condensation of acetophenone 1 and aromatic aldehydes 2 gave chalcone analogs 3, which were cyclized to pyrazole derivatives 6a-f via the reaction with hydrazine hydrate and oxalic acid in the presence of the catalytic amount of acetic acid in ethanol. Materials and Methods: The structural features of the synthesized compounds were characterized by melting point, FT-IR, 1H, 13C NMR and elemental analysis. Results: The antibacterial activities of the synthesized pyrazoles were evaluated against three gram-positive bacteria, such as Enterococcus durans, Staphylococcus aureus, Bacillus subtilis and two gram-negative bacteria such as Escherichia coli and Salmonella typhimurium. Conclusion: All the synthesized pyrazoles showed relatively high antibacterial activity against S. aureus strain and none of them demonstrated antibacterial activity against E. coli.
Asian Journal of Chemistry, 2013
We report the synthesis of TiO2 nanoparticles in anatase and rutile structures in SiO2-TiO2 compo... more We report the synthesis of TiO2 nanoparticles in anatase and rutile structures in SiO2-TiO2 composite. The SiO2-TiO2 nanostructure was synthesized based on the sol-gel method. The nanoparticles were characterized by X-ray fluorescents, X-ray diffraction, field emission scanning electron microscopy and Fourier transmission infrared absorption (FTIR) techniques. Phase formation was achieved by hydrothermal treatment at elevated temperatures. The anatase nanoparticles were obtained under 300 ºC calcined temperature, while rutile phase were obtained in higher than 300 ºC calcined temperature. The mass fraction of anatase and rutile phases was calculated. It can be fined that as the calcined temperature increases the per cent of rutile phase content grows, as well as when the content of TiO2 in SiO2-TiO2 composite increases, the per cent of rutile phase content grows. The effects of chemical compositions and calcinations temperature on the surface topography and the crystallization of phases were studied.
Journal of Chemical Health Risks, 2018
Oxazines naturally occurs and synthetically exhibit wide-ranging biological activity. In this stu... more Oxazines naturally occurs and synthetically exhibit wide-ranging biological activity. In this study, a highly practical and efficient of 1,2-dihydro-1-phenylnaphtho[1,2-e][1,3]oxazine-3-one derivatives was developed via a multi-component reaction of 2-naphthol, aldehydes and urea in the presence of nano-titanium oxide as solid, recyclable catalyst at one-pot and solvent-free conditions. These synthetic compounds 2a-e were evaluated as potential antibacterial agents. The structures of products were confirmed by spectral analysis FT-IR and 1 H NMR. The antibacterial activity of the compounds was screened against Staphylococcus aureus and Escherichia coli. These results showed that these compounds exhibited significant to moderate activities against both Gram (+) and Gram (-) organisms.
World Academy of Science, Engineering and Technology, International Journal of Pharmacological and Pharmaceutical Sciences, 2014
Urtica Diocia L. from the Urticaceae family is a plant of herbal value and of a noticeable distri... more Urtica Diocia L. from the Urticaceae family is a plant of herbal value and of a noticeable distribution in the north of Iran. The growth of different plants in various natural environments and ecosystems seems to be affected by factors such as the height (from sea surface). To investigate the effect of height on Urtica Diocia L. medicine compounds in its natural environment, three areas with the height of zero, 800 and 1800m were selected. The samples were randomly gathered three times and were dried; also, their compounds was extracted using the Clivenger with the water-distilling method. To determine the medicine compounds, the GC-MS as well as the GC machines were used. The analysis of variance was done in the form of the random-full-block design. The results indicated that there was a significant difference between the percent of EOs in the selected heights; however, such difference was not significant within each height. From among the eight flavors of the study, the Phytol com...
Caro’s acid-silicagel was found to be a mild and effective catalyst for the one –pot multicompone... more Caro’s acid-silicagel was found to be a mild and effective catalyst for the one –pot multicomponent condensation of benzyl, aldehydes and ammonium acetate used for synthesis of 2, 4, 5-trisubstituted imidazole derivatives under solvent–free conditions. This catalyst has several advantages such as simple work-up, low cost and reusability .
A convenient and efficient one-pot four-component synthesis of 1, 2, 4, 5-tetrasubstit... more A convenient and efficient one-pot four-component synthesis of 1, 2, 4, 5-tetrasubstituted imidazoles using nano TiO2 as a recyclable catalyst is reported. The results show that the methodology has several advantages such as low loading of catalyst, excellent yield, short reaction time, operational simplicity and solvent-free conditions.
international journal of nano dimension, 2011
In this study, we investigated the antifungal effects of silver nanoparticles (Ag-Nps) on Candida... more In this study, we investigated the antifungal effects of silver nanoparticles (Ag-Nps) on Candida albicans (ATCC 5027), Saccharomyces cerevisiae (ATCC 5027). Investigating method by using Minimum Inhibitory Concentration (MIC) technique, some of drugs including Amphotericin B, Fluconazole and synthesized Ag-Nps have been obtained on the fungi and the changes on membrane reactions of yeasts have been elucidated by Scanning Electron Microscopy (SEM). The present study indicates Ag-Nps has considerable antifungal activity comparison with other antifungal drugs, so deserving further investigation for clinical applications.
2 Abstract: In this study Caspian kutum (Rutilus frisii) roe was dry-salted and stored at ambient... more 2 Abstract: In this study Caspian kutum (Rutilus frisii) roe was dry-salted and stored at ambient temperature and non-packed (S1), refrigerated-stored and non-packed (S2), ambient temperature and vacuum-packed (S3), refrigerated-stored and vacuum-packed (S4) and the changes in proximate and fatty acid composition were evaluated at days 5, 60 and 120 of storage. Salted roe contained 60-65% moisture, 18-22% protein, 4-7% lipid and 3-4.6% ash. A slight decrease in lipid content was observed during storage while moisture, protein and ash remained unchanged. Palmitic acid (C16:0, 14.36-21.35%) and oleic acid (C18:1, 26.23-43.9%) were the most abundant fatty acids of salted roe. S4 samples had the highest contents of docosahexaenoic acid (EPA; C22:6 n-3), eicosapentaenoic acid (EPA; C20:5 n-3) and omega-3 fatty acids. Therefore, refrigerated-storage and vacuum-packaging could better protect omega-3 fatty acids in salted roe.
Thermo-sensitive hydrogels were prepared by graft copolymerization of Polyvenylalcohol and chitos... more Thermo-sensitive hydrogels were prepared by graft copolymerization of Polyvenylalcohol and chitosan with N-Isopropylacrylamide via gamma radiation. Characterization of hydrogels such as DSC analysis and swelling and solubility tests in different ratios were investigated. DSC and solubility analysis showed chitosan and PVA and NIPAAm monomer were grafted via gamma radiation successfully. Results show swelling of samples increased with to PVA increasing. Swelling ratio and curves results administrated hydrophilicity / hydrophobicity of hydrogel that this property is due to presence of PNIPAAm in different temperatures. These unique properties of the hydrogel would make it a promising support for drug delivery systems and tissue regeneration.
A remarkable acceleration in the synthesis of 1,2,4,5-tetrasubstituted imidazoles catalyzed by si... more A remarkable acceleration in the synthesis of 1,2,4,5-tetrasubstituted imidazoles catalyzed by silica gel supported poly phosphoric acid in high yields under solvent-free and microwave irradiation conditions, with very short reaction time is described. This methodology offers momentous improvements over various options for the synthesis of 1,2,4,5-tetrasubstituted imidazoles with regard to yield of produces, simplicity in operation and green aspects by avoiding toxic catalysts and solvents.
Thermo-sensitive hydrogels were prepared by graft copolymerization of Polyvenylalcohol and chitos... more Thermo-sensitive hydrogels were prepared by graft copolymerization of Polyvenylalcohol and chitosan with N-Isopropylacrylamide via gamma radiation. Characterization of hydrogels such as DSC analysis and swelling and solubility tests in different ratios were investigated. DSC and solubility analysis showed chitosan and PVA and NIPAAm monomer were grafted via gamma radiation successfully. Results show swelling of samples increased with to PVA increasing. Swelling ratio and curves results administrated hydrophilicity / hydrophobicity of hydrogel that this property is due to presence of PNIPAAm in different temperatures. These unique properties of the hydrogel would make it a promising support for drug delivery systems and tissue regeneration.
Hospital wastewater has special importance since having pathogens, radioactive materials, pharmac... more Hospital wastewater has special importance since having pathogens, radioactive materials, pharmaceutical wastes and heavy metals. Removing them into environment without any treatment may cause serious problems for the public health. Membrane Biological Reactor is the combination of the activated sludge and membrane filters. This research has investigated the performance of the Nano-Filtration in a Membrane Biological Reactor (NF-MBR) in the pilot scale in comparison to the activated sludge system which is very common in
Journal of the Serbian Chemical Society
In this work, to determine natural bond orbital (NBO) analysis, solvation and substituent effects... more In this work, to determine natural bond orbital (NBO) analysis, solvation and substituent effects for electron-releasing substituents (CH3, OH) and electron-withdrawing derivatives (Cl, NO2, CF3) in para positions on the molecular structure of the synthesized 3-phenylbenzo[d]thiazole-2(3H)-imine derivatives 1?6 (H (1), CH3 (2), Cl (3), OH (4), CF3 (5), NO2 (6)) in the selected solvents (acetone, toluene, and ethanol) and gas-phase employing polarizable continuum method (PCM) model were studied at the M06-2x/6- -311++G(d,p) level of theory. The relative stability of the studied compounds was affected by the possibility of intramolecular interactions between substituents and the electron donor/acceptor centers of the thiazole ring. Furthermore, atomic charges electron density, chemical thermodynamics, energetic properties, dipole moments, and the nucleus-independent chemical shifts (NICS) of the studied compounds and their relative stability are considered. The dipole moment values an...
Supplemental material, Supplementary_material_F for Theoretical investigations on the HOMO–LUMO g... more Supplemental material, Supplementary_material_F for Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and substituent effects by Marzieh Miar, Abolfazl Shiroudi, Khalil Pourshamsian, Ahmad Reza Oliaey and Farhad Hatamjafari in Journal of Chemical Research
International Journal of Molecular and Clinical Microbiology, Dec 1, 2013
The tautomerization reactions of the 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2<i... more The tautomerization reactions of the 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2<i>H</i>)-one studied by means of M06-2<i>x</i> and CBS-QB3 theoretical methods. The measured energy profiles are complemented with kinetic rate coefficients calculations using transition state theory (TST). In line with the optimized tautomers geometries using the CBS-QB3 method, the natural bond orbital (NBO) analysis reveals that the stabilization energies of non-bonding LP(e)<sub>S8</sub> to the σ*<sub>N2–C3</sub> antibonding orbitals increase from tautomers <b>1</b> to <b>2</b>. Furthermore, the delocalization energies of LP(e)<sub>S8</sub>→σ*<sub>N2–C3</sub> could explain the increase of LP(e)<sub>S8</sub> non-bonding orbitals occupancies in the tautomers <b>1</b> and <b>2</b> (2 > 1). The increase of LP(e)<sub>S8</sub>→σ*<sub>N2–C3<...
Abstract Objective: Punica granatum, commonly known as pomegranate, has emerged as a medicinal pl... more Abstract Objective: Punica granatum, commonly known as pomegranate, has emerged as a medicinal plant with potential antimicrobial activity. The present study was planned to evaluate this activity against both Gram positive Staphylococcus aureus (S. aureus) and ...
Quarterly Journal of Applied Chemical Research, 2014
In this work, stable crystalline phosphorus yields are obtained in good yields from the 1:1:1 add... more In this work, stable crystalline phosphorus yields are obtained in good yields from the 1:1:1 addition reactions between hydrazine derivatives and dialkyl acetylenedicarboxylates in the presence of triphenylphosphine at room temperature in dichloromethane. This synthetic method has merits of high yields, mild reaction conditions, and simple experimental and work-up conditions. The obtained yields exist in solution as a mixture of two geometric isomers. This is because of the restricted rotation around the carbon-carbon partial double bond resulting from conjugation of the yields moiety with the adjacent carbonyl group.
International Journal of Molecular and Clinical Microbiology, 2013
Article history: Received 14 May 2013 Accepted 21 November 2013 Available online 1 December 2013 ... more Article history: Received 14 May 2013 Accepted 21 November 2013 Available online 1 December 2013 Some N¬-acyl-N'-aryl thiourea derivatives 4(a-f) have been prepared by the reaction of acyl halides ammonium thiocyanate and aryl amines. The structures of synthesized compounds have been characterized by IR, 1HNMR spectral studies. The synthesized compounds 5(a-f) have been screened for antibacterial activity. The effect of the structure of the investigated compounds on the antibacterial activity is discussed.
Combinatorial Chemistry & High Throughput Screening
Aim and Objective: Microwave-assisted condensation of acetophenone 1 and aromatic aldehydes 2 gav... more Aim and Objective: Microwave-assisted condensation of acetophenone 1 and aromatic aldehydes 2 gave chalcone analogs 3, which were cyclized to pyrazole derivatives 6a-f via the reaction with hydrazine hydrate and oxalic acid in the presence of the catalytic amount of acetic acid in ethanol. Materials and Methods: The structural features of the synthesized compounds were characterized by melting point, FT-IR, 1H, 13C NMR and elemental analysis. Results: The antibacterial activities of the synthesized pyrazoles were evaluated against three gram-positive bacteria, such as Enterococcus durans, Staphylococcus aureus, Bacillus subtilis and two gram-negative bacteria such as Escherichia coli and Salmonella typhimurium. Conclusion: All the synthesized pyrazoles showed relatively high antibacterial activity against S. aureus strain and none of them demonstrated antibacterial activity against E. coli.
Asian Journal of Chemistry, 2013
We report the synthesis of TiO2 nanoparticles in anatase and rutile structures in SiO2-TiO2 compo... more We report the synthesis of TiO2 nanoparticles in anatase and rutile structures in SiO2-TiO2 composite. The SiO2-TiO2 nanostructure was synthesized based on the sol-gel method. The nanoparticles were characterized by X-ray fluorescents, X-ray diffraction, field emission scanning electron microscopy and Fourier transmission infrared absorption (FTIR) techniques. Phase formation was achieved by hydrothermal treatment at elevated temperatures. The anatase nanoparticles were obtained under 300 ºC calcined temperature, while rutile phase were obtained in higher than 300 ºC calcined temperature. The mass fraction of anatase and rutile phases was calculated. It can be fined that as the calcined temperature increases the per cent of rutile phase content grows, as well as when the content of TiO2 in SiO2-TiO2 composite increases, the per cent of rutile phase content grows. The effects of chemical compositions and calcinations temperature on the surface topography and the crystallization of phases were studied.
Journal of Chemical Health Risks, 2018
Oxazines naturally occurs and synthetically exhibit wide-ranging biological activity. In this stu... more Oxazines naturally occurs and synthetically exhibit wide-ranging biological activity. In this study, a highly practical and efficient of 1,2-dihydro-1-phenylnaphtho[1,2-e][1,3]oxazine-3-one derivatives was developed via a multi-component reaction of 2-naphthol, aldehydes and urea in the presence of nano-titanium oxide as solid, recyclable catalyst at one-pot and solvent-free conditions. These synthetic compounds 2a-e were evaluated as potential antibacterial agents. The structures of products were confirmed by spectral analysis FT-IR and 1 H NMR. The antibacterial activity of the compounds was screened against Staphylococcus aureus and Escherichia coli. These results showed that these compounds exhibited significant to moderate activities against both Gram (+) and Gram (-) organisms.
World Academy of Science, Engineering and Technology, International Journal of Pharmacological and Pharmaceutical Sciences, 2014
Urtica Diocia L. from the Urticaceae family is a plant of herbal value and of a noticeable distri... more Urtica Diocia L. from the Urticaceae family is a plant of herbal value and of a noticeable distribution in the north of Iran. The growth of different plants in various natural environments and ecosystems seems to be affected by factors such as the height (from sea surface). To investigate the effect of height on Urtica Diocia L. medicine compounds in its natural environment, three areas with the height of zero, 800 and 1800m were selected. The samples were randomly gathered three times and were dried; also, their compounds was extracted using the Clivenger with the water-distilling method. To determine the medicine compounds, the GC-MS as well as the GC machines were used. The analysis of variance was done in the form of the random-full-block design. The results indicated that there was a significant difference between the percent of EOs in the selected heights; however, such difference was not significant within each height. From among the eight flavors of the study, the Phytol com...
Caro’s acid-silicagel was found to be a mild and effective catalyst for the one –pot multicompone... more Caro’s acid-silicagel was found to be a mild and effective catalyst for the one –pot multicomponent condensation of benzyl, aldehydes and ammonium acetate used for synthesis of 2, 4, 5-trisubstituted imidazole derivatives under solvent–free conditions. This catalyst has several advantages such as simple work-up, low cost and reusability .
A convenient and efficient one-pot four-component synthesis of 1, 2, 4, 5-tetrasubstit... more A convenient and efficient one-pot four-component synthesis of 1, 2, 4, 5-tetrasubstituted imidazoles using nano TiO2 as a recyclable catalyst is reported. The results show that the methodology has several advantages such as low loading of catalyst, excellent yield, short reaction time, operational simplicity and solvent-free conditions.
international journal of nano dimension, 2011
In this study, we investigated the antifungal effects of silver nanoparticles (Ag-Nps) on Candida... more In this study, we investigated the antifungal effects of silver nanoparticles (Ag-Nps) on Candida albicans (ATCC 5027), Saccharomyces cerevisiae (ATCC 5027). Investigating method by using Minimum Inhibitory Concentration (MIC) technique, some of drugs including Amphotericin B, Fluconazole and synthesized Ag-Nps have been obtained on the fungi and the changes on membrane reactions of yeasts have been elucidated by Scanning Electron Microscopy (SEM). The present study indicates Ag-Nps has considerable antifungal activity comparison with other antifungal drugs, so deserving further investigation for clinical applications.
2 Abstract: In this study Caspian kutum (Rutilus frisii) roe was dry-salted and stored at ambient... more 2 Abstract: In this study Caspian kutum (Rutilus frisii) roe was dry-salted and stored at ambient temperature and non-packed (S1), refrigerated-stored and non-packed (S2), ambient temperature and vacuum-packed (S3), refrigerated-stored and vacuum-packed (S4) and the changes in proximate and fatty acid composition were evaluated at days 5, 60 and 120 of storage. Salted roe contained 60-65% moisture, 18-22% protein, 4-7% lipid and 3-4.6% ash. A slight decrease in lipid content was observed during storage while moisture, protein and ash remained unchanged. Palmitic acid (C16:0, 14.36-21.35%) and oleic acid (C18:1, 26.23-43.9%) were the most abundant fatty acids of salted roe. S4 samples had the highest contents of docosahexaenoic acid (EPA; C22:6 n-3), eicosapentaenoic acid (EPA; C20:5 n-3) and omega-3 fatty acids. Therefore, refrigerated-storage and vacuum-packaging could better protect omega-3 fatty acids in salted roe.
Thermo-sensitive hydrogels were prepared by graft copolymerization of Polyvenylalcohol and chitos... more Thermo-sensitive hydrogels were prepared by graft copolymerization of Polyvenylalcohol and chitosan with N-Isopropylacrylamide via gamma radiation. Characterization of hydrogels such as DSC analysis and swelling and solubility tests in different ratios were investigated. DSC and solubility analysis showed chitosan and PVA and NIPAAm monomer were grafted via gamma radiation successfully. Results show swelling of samples increased with to PVA increasing. Swelling ratio and curves results administrated hydrophilicity / hydrophobicity of hydrogel that this property is due to presence of PNIPAAm in different temperatures. These unique properties of the hydrogel would make it a promising support for drug delivery systems and tissue regeneration.
A remarkable acceleration in the synthesis of 1,2,4,5-tetrasubstituted imidazoles catalyzed by si... more A remarkable acceleration in the synthesis of 1,2,4,5-tetrasubstituted imidazoles catalyzed by silica gel supported poly phosphoric acid in high yields under solvent-free and microwave irradiation conditions, with very short reaction time is described. This methodology offers momentous improvements over various options for the synthesis of 1,2,4,5-tetrasubstituted imidazoles with regard to yield of produces, simplicity in operation and green aspects by avoiding toxic catalysts and solvents.
Thermo-sensitive hydrogels were prepared by graft copolymerization of Polyvenylalcohol and chitos... more Thermo-sensitive hydrogels were prepared by graft copolymerization of Polyvenylalcohol and chitosan with N-Isopropylacrylamide via gamma radiation. Characterization of hydrogels such as DSC analysis and swelling and solubility tests in different ratios were investigated. DSC and solubility analysis showed chitosan and PVA and NIPAAm monomer were grafted via gamma radiation successfully. Results show swelling of samples increased with to PVA increasing. Swelling ratio and curves results administrated hydrophilicity / hydrophobicity of hydrogel that this property is due to presence of PNIPAAm in different temperatures. These unique properties of the hydrogel would make it a promising support for drug delivery systems and tissue regeneration.
Hospital wastewater has special importance since having pathogens, radioactive materials, pharmac... more Hospital wastewater has special importance since having pathogens, radioactive materials, pharmaceutical wastes and heavy metals. Removing them into environment without any treatment may cause serious problems for the public health. Membrane Biological Reactor is the combination of the activated sludge and membrane filters. This research has investigated the performance of the Nano-Filtration in a Membrane Biological Reactor (NF-MBR) in the pilot scale in comparison to the activated sludge system which is very common in
Journal of the Serbian Chemical Society
In this work, to determine natural bond orbital (NBO) analysis, solvation and substituent effects... more In this work, to determine natural bond orbital (NBO) analysis, solvation and substituent effects for electron-releasing substituents (CH3, OH) and electron-withdrawing derivatives (Cl, NO2, CF3) in para positions on the molecular structure of the synthesized 3-phenylbenzo[d]thiazole-2(3H)-imine derivatives 1?6 (H (1), CH3 (2), Cl (3), OH (4), CF3 (5), NO2 (6)) in the selected solvents (acetone, toluene, and ethanol) and gas-phase employing polarizable continuum method (PCM) model were studied at the M06-2x/6- -311++G(d,p) level of theory. The relative stability of the studied compounds was affected by the possibility of intramolecular interactions between substituents and the electron donor/acceptor centers of the thiazole ring. Furthermore, atomic charges electron density, chemical thermodynamics, energetic properties, dipole moments, and the nucleus-independent chemical shifts (NICS) of the studied compounds and their relative stability are considered. The dipole moment values an...