soma majedi - Academia.edu (original) (raw)
Papers by soma majedi
Journal of the Chemical Society of Pakistan, 2024
Polycyclic Aromatic Compounds, Aug 29, 2019
Abstract 3,4,7,8-tetrahydro-3,3-dimethyl-11-aryl-2H-pyridazino[1,2-a]indazole-1,6,9(11H)-triones ... more Abstract 3,4,7,8-tetrahydro-3,3-dimethyl-11-aryl-2H-pyridazino[1,2-a]indazole-1,6,9(11H)-triones 5a-j were synthesized by a one-pot cyclocondensation of four components such as succinic anhydride, hydrazine hydrate, benzaldehyde derivatives and dimedone at room temperature through a multi-component reaction and solvent-free condition by using 1-methyl imidazolium trinitromethanide {[HMIM]C(NO2)3} as a very effective ionic liquid catalyst. All synthesized compounds which are soluble in DMSO were subjected to antibacterial activity assay against Escherichia coli, Salmonella enteritidis, Staphylococcus aureus, and Bacillus cereus. Results showed that the compounds had antibacterial activity against some bacteria tested. In addition, the antioxidant activity of the compounds was evaluated by DPPH free radical scavenging assay. Our results indicated that most of the compounds had excellent dose-dependent antiradical properties. Based on obtained data, the compounds possessed moderate to excellent bactericidal effect on both Gram-positive and Gram-negative bacteria. Moreover, the compounds 5b and 5g exhibited the most anti-proliferative potencies against MCF-7 (breast carcinoma), A549 (non-small lung carcinoma) and AGS (gastric carcinoma) cell lines.
![Research paper thumbnail of Sodium selenate catalyzed simple and efficient synthesis of tetrahydro benzo[b]pyran derivatives](https://attachments.academia-assets.com/108523499/thumbnails/1.jpg)
](Catalysis Communications, Feb 1, 2008
Sodium selenate has been found to be an outstanding catalyst for the preparation of tetrahydroben... more Sodium selenate has been found to be an outstanding catalyst for the preparation of tetrahydrobenzo[b]pyran derivatives in aqueous media in very good yields and under entirely green and eco-friendly conditions.
Journal of Molecular Graphics and Modelling
New Journal of Chemistry
In this study, Zinc Oxide Nanoparticles (ZnO NPs) produced utilizing Dill (Anethum graveolens) le... more In this study, Zinc Oxide Nanoparticles (ZnO NPs) produced utilizing Dill (Anethum graveolens) leaf extract and as a very efficient nanocatalyst, have been used for the green preparation of 1H-pyrazolo[1,2-a]pyridazine-5,8-diones...
Polycyclic Aromatic Compounds
![Research paper thumbnail of Synthesis of [1,4]Oxathiepino[5,6-b]quinolines via Base-Mediated Intramolecular Hydroalkoxylation](https://attachments.academia-assets.com/81299913/thumbnails/1.jpg)
](SynOpen
A base-mediated intramolecular hydroalkoxylation that was used to prepare a series of seven-membe... more A base-mediated intramolecular hydroalkoxylation that was used to prepare a series of seven-membered S,O-heterocycles is described. 2-Thiopropargyl-3-hydroxymethyl quinolines were prepared starting from 2-mercaptoquinoline-3-carbaldehydes, via S-propargylation and reduction of a formyl group. Interestingly, 2-mercaptopropargyl-3-hydroxymethyl quinolines were converted into the corresponding oxathiepinoquinolines in the presence of t-BuOK. It is proposed that the S-propargyl moiety, in the presence of base, is converted into its allenyl isomer; subsequent addition of a hydroxyl group to the terminal double bond yields the 3-methyl-5H-[1,4]oxathiepino[5,6-b]quinoline in good to high yield. Notably, the procedure is adaptable to the conversion of N-propargyl indole-2-methanol into the corresponding intramolecular hydroalkoxylation product.
College & Research Libraries, 2020
The present review gives an overview over the synthesis of organic nitriles and azides through th... more The present review gives an overview over the synthesis of organic nitriles and azides through the decarboxylative cyanation and azidation of carboxylic acids, respectively. Mechanistic features of the reactions are considered and discussed in detail.
The novel coronavirus, namely SARS-CoV-2, emerged from central China in December 2019 and then sp... more The novel coronavirus, namely SARS-CoV-2, emerged from central China in December 2019 and then spread rapidly worldwide. It has infected hundreds of thousands of people and killed several thousand thus far. The illness caused by this coronavirus is called COVID-19 and has been declared a global emergency by the World Health Organization (WHO) on January 30, 2020. Although a series of existing drugs have shown some promise in treating COVID-19, there is currently no approved medication that treat this disease. In this focus-review, we aim to summarize the available literature on the potential usefulness of existing drugs against COVID-19.
College & Research Libraries, 2019
In this review, we will summarize the available literature on the preparation of nitro compounds ... more In this review, we will summarize the available literature on the preparation of nitro compounds from the corresponding carboxylic acids through nitrodecarboxylation. The review is divided into three major sub-sections. The first focuses exclusively on nitrodecarboxylation of aliphatic carboxylic acids. The second will discuss decarboxylative nitration of aromatic carboxylic acids. The third section will cover the synthesis of nitroolefins via decarboxylative nitration of α,β-unsaturated carboxylic acids. Particular emphasis is paid to the mechanistic aspect of reactions.
In 2017, a mechanism for drug release based on low pH of cancerous tissues was proposed. Accordin... more In 2017, a mechanism for drug release based on low pH of cancerous tissues was proposed. According to DFT results, the protons can attack the region of interaction, separating the drug form the carrier. The interaction of 5FU (5-fluorouracil anti-cancer drug) with pristine fullerene with absorption energy of about -3.2 kcal/mol, which is not suitable for drug delivery, is very poor. To overcome this problem one carbon atom is replaced by a boron atom that increases the adsorption energy to -27.2 kcal per mole. B-doping sensitizes the electronic properties of fullerene to the drug [1] (Figure 1). Also the electronic sensitivity of the pristine, Al, and Si doped BC2N nanotubes toward CT drug was studied using DFT calculations. The CT drug prefers to be adsorbed on the all nanotubes via its –NH2 group rather than O-head. The relative reactivity of the studied nanotubes toward the CT drug is as follows: Al-doped » Si-doped > Pristine, with adsorption energy about -48.8, -15.7, and -1...
Hetero)aryl thiocyanates have been extensively used as dyes, insecticides, vulcanization accelera... more Hetero)aryl thiocyanates have been extensively used as dyes, insecticides, vulcanization accelerators, and building blocks in the synthesis of diverse organosulfur compounds. Therefore, development of novel, efficient, and practical methods for their synthesis has always been the important topic in organic synthesis. Recently, direct thiocyanation of (hetero)aromatic C-H bonds using inexpensive and easily available ammonium thiocyanate has attracted considerable attention from the organic synthesis community, because no prefunctionalization of the starting materials is required and therefore the hazardous waste streams are significantly reduced. In this review, we summarize the recent discoveries and developments in this interesting field by hoping it will inspire and stimulate further research on the topic.
We have perused the absorbency of N2H4, P2H4, O2H2 and S2H2 molecules on the exterior level of pr... more We have perused the absorbency of N2H4, P2H4, O2H2 and S2H2 molecules on the exterior level of pristine and Al- and Ga-embeded B12N12 nanostructures using through density functional theory (DFT) calculations. The consequences indicates that most favorable adsorption configurations are those in which the nitrogen atom of hydrazine (N2H4) is closed to boron, Aluminum and Gallium atoms of pristine and Al- and Ga-embeded B12N12 nanostructures, respectively, with adsorption energies circa -1.801, -2.397, and -2.071 eV. Geometry optimizations, energy calculations and NBO charge transfer were used to evaluate the impression ability of B12N12 for various analytes. The computed density of states (DOS) displaies that a notable orbital hybridization be take place between N2H4 P2H4, O2H2 and S2H2 molecules with pristine and Al- and Ga-embeded B11N12 nanostructures adsorption process. Finally, we concluded that the Al-embeded B11N12 is more desirable than that of the pristine for N2H4 adsorption.
In this paper, the detection of alprazolam by fullerene (C20) was studied by infra-red (IR), fron... more In this paper, the detection of alprazolam by fullerene (C20) was studied by infra-red (IR), frontier molecular orbital (FMO) and natural bond orbital (NBO) computations. All of the computations were done by density functional theory method in the B3LYP/6-31G (d) level of theory. The calculated adsorption energies, Gibbs free energy changes and thermodynamic constants showed alprazolam adsorption is experimentally possible, spontaneous and irreversible. The calculated values of enthalpy changes and specific heat capacity demonstrated AP interaction with fullerene is exothermic and C20 can be used as a recognition element for the construction of a new thermal sensor for detection of alprazolam. The DOS spectrums showed the bandgap of fullerene decreased from 7.190 eV to 4.460 eV (%-37.9) in the alprazolam adsorption process and this nanostructure is a good electroactive sensing material for development of novel electrochemical sensors for alprazolam determination. Some important stru...
In this work, density functional theory (DFT) calculations at the M06-2X/6-31+G* level are perfor... more In this work, density functional theory (DFT) calculations at the M06-2X/6-31+G* level are performed to the adsorption of COn (n=1, 2) and HnX (n=2, 3 and X=O, N)molecules onto pristine as well as Al- and Ga-doped B12N12 nanocages. We study the effect of Al- and Ga-doped on the sensing properties of B12N12 nanocages. We investigated several doping and adsorption possibilities. This study illustrates the electrical behavior which has been gainded from the B12N12, Al- and Ga-doped B12N12 nanocages upon the COn (n=1, 2) and HnX (n=2, 3 and X=O, N) molecules adsorption. The structural stability was based on the minimum energy and non-complex vibrational frequencies. The results represents that large forces of attraction in B12N12-NH3, AlB11N12-NH3 and GaB11N12-NH3 complexes with values of -1.54, -2.32 and -2.34 eV are compared to mentioned other configurations. Calculations unfold that the Al-doping B12N12 can significantly imprive both the adsorption energy and electronic properties of n...
Journal of CO2 Utilization
Polycyclic Aromatic Compounds
Molecules, 2007
A facile, selective and high yielding bis(trimethylsilyl) chromate (BTSC) catalyzed selective oxi... more A facile, selective and high yielding bis(trimethylsilyl) chromate (BTSC) catalyzed selective oxidation of alcohols to aldehydes and ketones with periodic acid is reported.
![Research paper thumbnail of Sodium selenate catalyzed simple and efficient synthesis of tetrahydro benzo[b]pyran derivatives](https://attachments.academia-assets.com/73565151/thumbnails/1.jpg)
](Catalysis Communications, 2008
Sodium selenate has been found to be an outstanding catalyst for the preparation of tetrahydroben... more Sodium selenate has been found to be an outstanding catalyst for the preparation of tetrahydrobenzo[b]pyran derivatives in aqueous media in very good yields and under entirely green and eco-friendly conditions.
Bioorganic & Medicinal Chemistry Letters, 2005
Journal of the Chemical Society of Pakistan, 2024
Polycyclic Aromatic Compounds, Aug 29, 2019
Abstract 3,4,7,8-tetrahydro-3,3-dimethyl-11-aryl-2H-pyridazino[1,2-a]indazole-1,6,9(11H)-triones ... more Abstract 3,4,7,8-tetrahydro-3,3-dimethyl-11-aryl-2H-pyridazino[1,2-a]indazole-1,6,9(11H)-triones 5a-j were synthesized by a one-pot cyclocondensation of four components such as succinic anhydride, hydrazine hydrate, benzaldehyde derivatives and dimedone at room temperature through a multi-component reaction and solvent-free condition by using 1-methyl imidazolium trinitromethanide {[HMIM]C(NO2)3} as a very effective ionic liquid catalyst. All synthesized compounds which are soluble in DMSO were subjected to antibacterial activity assay against Escherichia coli, Salmonella enteritidis, Staphylococcus aureus, and Bacillus cereus. Results showed that the compounds had antibacterial activity against some bacteria tested. In addition, the antioxidant activity of the compounds was evaluated by DPPH free radical scavenging assay. Our results indicated that most of the compounds had excellent dose-dependent antiradical properties. Based on obtained data, the compounds possessed moderate to excellent bactericidal effect on both Gram-positive and Gram-negative bacteria. Moreover, the compounds 5b and 5g exhibited the most anti-proliferative potencies against MCF-7 (breast carcinoma), A549 (non-small lung carcinoma) and AGS (gastric carcinoma) cell lines.
Catalysis Communications, Feb 1, 2008
Sodium selenate has been found to be an outstanding catalyst for the preparation of tetrahydroben... more Sodium selenate has been found to be an outstanding catalyst for the preparation of tetrahydrobenzo[b]pyran derivatives in aqueous media in very good yields and under entirely green and eco-friendly conditions.
Journal of Molecular Graphics and Modelling
New Journal of Chemistry
In this study, Zinc Oxide Nanoparticles (ZnO NPs) produced utilizing Dill (Anethum graveolens) le... more In this study, Zinc Oxide Nanoparticles (ZnO NPs) produced utilizing Dill (Anethum graveolens) leaf extract and as a very efficient nanocatalyst, have been used for the green preparation of 1H-pyrazolo[1,2-a]pyridazine-5,8-diones...
Polycyclic Aromatic Compounds
SynOpen
A base-mediated intramolecular hydroalkoxylation that was used to prepare a series of seven-membe... more A base-mediated intramolecular hydroalkoxylation that was used to prepare a series of seven-membered S,O-heterocycles is described. 2-Thiopropargyl-3-hydroxymethyl quinolines were prepared starting from 2-mercaptoquinoline-3-carbaldehydes, via S-propargylation and reduction of a formyl group. Interestingly, 2-mercaptopropargyl-3-hydroxymethyl quinolines were converted into the corresponding oxathiepinoquinolines in the presence of t-BuOK. It is proposed that the S-propargyl moiety, in the presence of base, is converted into its allenyl isomer; subsequent addition of a hydroxyl group to the terminal double bond yields the 3-methyl-5H-[1,4]oxathiepino[5,6-b]quinoline in good to high yield. Notably, the procedure is adaptable to the conversion of N-propargyl indole-2-methanol into the corresponding intramolecular hydroalkoxylation product.
College & Research Libraries, 2020
The present review gives an overview over the synthesis of organic nitriles and azides through th... more The present review gives an overview over the synthesis of organic nitriles and azides through the decarboxylative cyanation and azidation of carboxylic acids, respectively. Mechanistic features of the reactions are considered and discussed in detail.
The novel coronavirus, namely SARS-CoV-2, emerged from central China in December 2019 and then sp... more The novel coronavirus, namely SARS-CoV-2, emerged from central China in December 2019 and then spread rapidly worldwide. It has infected hundreds of thousands of people and killed several thousand thus far. The illness caused by this coronavirus is called COVID-19 and has been declared a global emergency by the World Health Organization (WHO) on January 30, 2020. Although a series of existing drugs have shown some promise in treating COVID-19, there is currently no approved medication that treat this disease. In this focus-review, we aim to summarize the available literature on the potential usefulness of existing drugs against COVID-19.
College & Research Libraries, 2019
In this review, we will summarize the available literature on the preparation of nitro compounds ... more In this review, we will summarize the available literature on the preparation of nitro compounds from the corresponding carboxylic acids through nitrodecarboxylation. The review is divided into three major sub-sections. The first focuses exclusively on nitrodecarboxylation of aliphatic carboxylic acids. The second will discuss decarboxylative nitration of aromatic carboxylic acids. The third section will cover the synthesis of nitroolefins via decarboxylative nitration of α,β-unsaturated carboxylic acids. Particular emphasis is paid to the mechanistic aspect of reactions.
In 2017, a mechanism for drug release based on low pH of cancerous tissues was proposed. Accordin... more In 2017, a mechanism for drug release based on low pH of cancerous tissues was proposed. According to DFT results, the protons can attack the region of interaction, separating the drug form the carrier. The interaction of 5FU (5-fluorouracil anti-cancer drug) with pristine fullerene with absorption energy of about -3.2 kcal/mol, which is not suitable for drug delivery, is very poor. To overcome this problem one carbon atom is replaced by a boron atom that increases the adsorption energy to -27.2 kcal per mole. B-doping sensitizes the electronic properties of fullerene to the drug [1] (Figure 1). Also the electronic sensitivity of the pristine, Al, and Si doped BC2N nanotubes toward CT drug was studied using DFT calculations. The CT drug prefers to be adsorbed on the all nanotubes via its –NH2 group rather than O-head. The relative reactivity of the studied nanotubes toward the CT drug is as follows: Al-doped » Si-doped > Pristine, with adsorption energy about -48.8, -15.7, and -1...
Hetero)aryl thiocyanates have been extensively used as dyes, insecticides, vulcanization accelera... more Hetero)aryl thiocyanates have been extensively used as dyes, insecticides, vulcanization accelerators, and building blocks in the synthesis of diverse organosulfur compounds. Therefore, development of novel, efficient, and practical methods for their synthesis has always been the important topic in organic synthesis. Recently, direct thiocyanation of (hetero)aromatic C-H bonds using inexpensive and easily available ammonium thiocyanate has attracted considerable attention from the organic synthesis community, because no prefunctionalization of the starting materials is required and therefore the hazardous waste streams are significantly reduced. In this review, we summarize the recent discoveries and developments in this interesting field by hoping it will inspire and stimulate further research on the topic.
We have perused the absorbency of N2H4, P2H4, O2H2 and S2H2 molecules on the exterior level of pr... more We have perused the absorbency of N2H4, P2H4, O2H2 and S2H2 molecules on the exterior level of pristine and Al- and Ga-embeded B12N12 nanostructures using through density functional theory (DFT) calculations. The consequences indicates that most favorable adsorption configurations are those in which the nitrogen atom of hydrazine (N2H4) is closed to boron, Aluminum and Gallium atoms of pristine and Al- and Ga-embeded B12N12 nanostructures, respectively, with adsorption energies circa -1.801, -2.397, and -2.071 eV. Geometry optimizations, energy calculations and NBO charge transfer were used to evaluate the impression ability of B12N12 for various analytes. The computed density of states (DOS) displaies that a notable orbital hybridization be take place between N2H4 P2H4, O2H2 and S2H2 molecules with pristine and Al- and Ga-embeded B11N12 nanostructures adsorption process. Finally, we concluded that the Al-embeded B11N12 is more desirable than that of the pristine for N2H4 adsorption.
In this paper, the detection of alprazolam by fullerene (C20) was studied by infra-red (IR), fron... more In this paper, the detection of alprazolam by fullerene (C20) was studied by infra-red (IR), frontier molecular orbital (FMO) and natural bond orbital (NBO) computations. All of the computations were done by density functional theory method in the B3LYP/6-31G (d) level of theory. The calculated adsorption energies, Gibbs free energy changes and thermodynamic constants showed alprazolam adsorption is experimentally possible, spontaneous and irreversible. The calculated values of enthalpy changes and specific heat capacity demonstrated AP interaction with fullerene is exothermic and C20 can be used as a recognition element for the construction of a new thermal sensor for detection of alprazolam. The DOS spectrums showed the bandgap of fullerene decreased from 7.190 eV to 4.460 eV (%-37.9) in the alprazolam adsorption process and this nanostructure is a good electroactive sensing material for development of novel electrochemical sensors for alprazolam determination. Some important stru...
In this work, density functional theory (DFT) calculations at the M06-2X/6-31+G* level are perfor... more In this work, density functional theory (DFT) calculations at the M06-2X/6-31+G* level are performed to the adsorption of COn (n=1, 2) and HnX (n=2, 3 and X=O, N)molecules onto pristine as well as Al- and Ga-doped B12N12 nanocages. We study the effect of Al- and Ga-doped on the sensing properties of B12N12 nanocages. We investigated several doping and adsorption possibilities. This study illustrates the electrical behavior which has been gainded from the B12N12, Al- and Ga-doped B12N12 nanocages upon the COn (n=1, 2) and HnX (n=2, 3 and X=O, N) molecules adsorption. The structural stability was based on the minimum energy and non-complex vibrational frequencies. The results represents that large forces of attraction in B12N12-NH3, AlB11N12-NH3 and GaB11N12-NH3 complexes with values of -1.54, -2.32 and -2.34 eV are compared to mentioned other configurations. Calculations unfold that the Al-doping B12N12 can significantly imprive both the adsorption energy and electronic properties of n...
Journal of CO2 Utilization
Polycyclic Aromatic Compounds
Molecules, 2007
A facile, selective and high yielding bis(trimethylsilyl) chromate (BTSC) catalyzed selective oxi... more A facile, selective and high yielding bis(trimethylsilyl) chromate (BTSC) catalyzed selective oxidation of alcohols to aldehydes and ketones with periodic acid is reported.
Catalysis Communications, 2008
Sodium selenate has been found to be an outstanding catalyst for the preparation of tetrahydroben... more Sodium selenate has been found to be an outstanding catalyst for the preparation of tetrahydrobenzo[b]pyran derivatives in aqueous media in very good yields and under entirely green and eco-friendly conditions.
Bioorganic & Medicinal Chemistry Letters, 2005