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13 results on '"Khashi, M."'

5. BiFeO3 Magnetic Nanoparticles: A Novel, Efficient and Reusable Magnetic Catalyst for the Synthesis of Polyhydroquinoline Derivatives

Author

Khashi, M., Allameh, S., Beyramabadi, S. A., Ali Morsali, Dastmalchian, E., and Gharib, A.

Subjects
lcsh:Chemistry, bifeo3 nmps, magnetic nanocatalysts, polyhydroquinoline derivatives, lcsh:QD1-999, hantzsch reaction, lcsh:TP155-156, lcsh:Chemical engineering
Abstract

Herein, it has been shown that the bismuth ferrite magnetic nanoparticles (BFO-MNPs) are new, efficient and recyclable catalysts for the synthesis of polyhydroquinoline derivatives by the Hantzsch reaction. The one-pot four-component cyclocondensation reaction of dimedone, aromatic aldehydes, ethyl acetoacetate and ammonium acetate was carried out under solvent-free conditions. The desired products were obtained in very short reaction times with high yields. The magnetic nanocatalyst was characterized by the X-Ray Diffraction (XRD) and FT-IR analysis. For the first time, the bismuth ferrite magnetic nanoparticles were used as a catalyst in the Hantzsch reaction. The catalyst was found to be reusable, which showed considerable catalytic activity after the third run.

Published
2017

8. Experimental and Computational Investigations of 4-((E)-(2-Amino-5- Nitrophenylimino)Methyl)-5- (Hydroxymethyl)-2-Methylpyridin-3-Ol Schiff Base Derived from Vitamin B6.

Author

Beyramabadi, S. A., Khashi, M., Morsali, A., Gharib, A., and Chegini, H.

Subjects
*ATOMS in molecules theory, *MOLECULAR structure, *NITROPHENYL compounds, *NUCLEAR magnetic resonance, *BENZALDEHYDE
Abstract

An unsymmetrical tridentate Schiff base 4-((E)-(2-amino-5-nitrophenylimino)methyl)-5-(hydroxymethyl)- 2-methylpyridin-3-ol is newly synthesized and characterized experimentally. Its geometrical parameters, the assignment of IR bands and NMR chemical shifts are also computed by the density functional theory (DFT) method. In addition, the atoms in molecules (AIM) analysisis employed to investigate its geometry. Only one of the diamine-NH2 groups undergoes the condensation reaction. In the structure of the synthesized Schiff base, the remaining aminogroup lies in the para position with respect to the nitro group (isomer 1). In both gas and solution phases, isomer 1 is more stable than isomer 2 with the meta orientation of the amino and nitro groups. The NMR chemical shifts and the AIM analysis show that isomer 1 is a more favorite structure for the synthesized Schiff base. It has no planar structure. The phenolic proton is engaged in the intramolecular hydrogen bond with the azomethine nitrogen atom. The experimental results are in good agreement with the theoretical ones, confirming the validity of the optimized geometry. [ABSTRACT FROM AUTHOR]

Published
2018
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9. Experimental and Computational Investigations of 4-((E)-(2-Amino-5- Nitrophenylimino)Methyl)-5- (Hydroxymethyl)-2-Methylpyridin-3-Ol Schiff Base Derived from Vitamin B6.

Author

Beyramabadi, S. A., Khashi, M., Morsali, A., Gharib, A., and Chegini, H.

Subjects
ATOMS in molecules theory, MOLECULAR structure, NITROPHENYL compounds, NUCLEAR magnetic resonance, BENZALDEHYDE
Abstract

An unsymmetrical tridentate Schiff base 4-((E)-(2-amino-5-nitrophenylimino)methyl)-5-(hydroxymethyl)- 2-methylpyridin-3-ol is newly synthesized and characterized experimentally. Its geometrical parameters, the assignment of IR bands and NMR chemical shifts are also computed by the density functional theory (DFT) method. In addition, the atoms in molecules (AIM) analysisis employed to investigate its geometry. Only one of the diamine-NH2 groups undergoes the condensation reaction. In the structure of the synthesized Schiff base, the remaining aminogroup lies in the para position with respect to the nitro group (isomer 1). In both gas and solution phases, isomer 1 is more stable than isomer 2 with the meta orientation of the amino and nitro groups. The NMR chemical shifts and the AIM analysis show that isomer 1 is a more favorite structure for the synthesized Schiff base. It has no planar structure. The phenolic proton is engaged in the intramolecular hydrogen bond with the azomethine nitrogen atom. The experimental results are in good agreement with the theoretical ones, confirming the validity of the optimized geometry. [ABSTRACT FROM AUTHOR]

Published
2018
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12. Novel schiff bases of pyrrole: Synthesis, experimental and theoretical characterizations, fluorescent properties and molecular docking

Author

Khashi, M., S. Ali Beyramabadi, and Gharib, A.

Subjects
lcsh:Chemistry, tautomerism, lcsh:QD1-999, nbo, lcsh:TP155-156, molecular docking, schiff base, lcsh:Chemical engineering, dft, fluorescent properties
Abstract

Some new Schiff-base compounds based on pyrrole were synthesized by the reaction of 2-amino-1-methyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile (1)with aromatic aldehydes (2a-2e) in ethanol/acetic acid at room temperature. The structures of the Schiff bases were characterized by full spectral data. The fluorescence emission intensity of the Schiff bases has been measured in different polar solvents (protic and aprotic) at different temperatures and also pHs. Among the products of this reaction, 2-[(2-hydroxy-benzylidene)-amino]-1-methyl-4,5-diphenyl-1H-3-carbonitrile(3a) exhibited good results. The molecular docking studies on all Schiff bases revealed that the compound 3a forms a stable complex with polo-like kinase1 as a target and gives a binding affinity value of -8.9 kcal/mol. According to the obtained results, the DFT calculations carried out on 3a by using B3LYP/6-31+G(d,p) level of theory which the theoretical data were in good agreement with the experimental data. Furthermore, the NBO analysis showed the electron transfers correctly.

13. Treatment of the breast cancer by using low frequency electromagnetic fields and Mn(II) complex of a Schiff base derived from the pyridoxal.

Author

Yadamani S, Neamati A, Homayouni-Tabrizi M, Beyramabadi SA, Yadamani S, Gharib A, Morsali A, and Khashi M

Subjects
Animals, Apoptosis drug effects, Cell Line, Tumor, Female, Flow Cytometry, Humans, Mice, Pyridoxal pharmacology, Schiff Bases pharmacology, Breast Neoplasms therapy, Magnetic Field Therapy methods, Manganese pharmacology
Abstract

The breast cancer is the most common type of cancer in women. In this project, the breast cancer was transplanted in vivo with the TUBO cells. Then, the cancerous mice were treated by radiation of low frequency electromagnetic fields and injection of the Mn(II) complex of the N,N'-dipyridoxyl(1,2-diaminobenzene) Schiff base. Three different concentrations of the Mn(II) complex were used. Cytotoxicity and morphological alterations caused by the Mn(II) complex in the TUBO breast cancer cell line have been evaluated. Apoptotic properties of the Mn(II) complex was studied using the flow cytometry. The Mn(II) complex has a cytotoxic effect on cancer cells. Also, both of the Mn(II) complex and low frequency electromagnetic field induced apoptosis, which was confirmed by flow cytometry. Both of them result in considerable changes in the treated tissues such as decrease of the tumor mass, induction of apoptosis and decrease in number of the blood vessels., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

Published
2018
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