Nosrat Madadi Mahani
Chemistry Department, Payame Noor University, Tehran, Iran
[ 1 ] - ONIOM studies of interaction between single-walled carbon nanotube and gallates derivatives as anticancer agents
Objective(s): The novel 7-hydroxycoumarinyl gallates derivatives are detected in many pharmaceutical compounds like anticancer and antimicrobial agents. Whereas carbon nanotubes (CNTs) have been discussed for nanomedicine applications and in particular as drug delivery systems. The capability of armchair (5, 5) SWCNT -based drug delivery system in the therapy of anticancer has been investigated...
[ 2 ] - Adsorption of Pb(II) by activated carbon prepared from Melia azedarach fruit: Equilibrium and thermodynamics
In this work, a low-cost activated carbon as well as non-hazardous material, with high adsorption capacity, was prepared from Melia azedarach fruit (MF) by ZnCl2 activation for the removal of Pb(II) toxic metal from aqueous solutions. The microstructure of the activated carbon was observed by Scanning Electron Microscopy (SEM). Batch experiments have been performed as a function of pH, contact ...
[ 3 ] - Extraction and preconcentration of Pb(II) from water and soil samples using modified activated carbon
In this work, a new extractant was prepared by immobilizing ligand 2-(5-bromo-2-pyridylazo)-5-diethylaminophenol, (5-Br-PADAP), on the activated carbon and applied to extraction of Pb(II) prior to determination by flame atomic absorption spectrometry. It was confirmed by FT- IR analysis. The metal ion was retained on the 0.05 g of the sorbent in the pH range 6-8, and then eluted with 5 mL of 0....
[ 4 ] - A First-Principles Study on Interaction between Carbon Nanotubes (10,10) and Gallates Derivatives as Vehicles for Drug Delivery
First principles calculations were carried out for investigation the novel 7-hydroxycoumarinyl gallates derivatives in gas and liquid phases using density functional theory (DFT) method. Computational chemistry simulations were carried out to compare calculated quantum chemical parameters for gallates derivatives. All calculations were performed using DMol3 code which is based on DFT. The Doubl...
[ 5 ] - A Thermodynamic Study of the Interactions between Acetamide Derivatives and PCA-PEG-PCA Copolymers: ONIOM Calculations
To improve drug selectivity toward target cells, one interesting approach for drug delivery is to use polymer nanoparticles. A two-layered ONIOM Becke3- LYP: UFF calculation was carried out to study the structural and thermodynamic properties of the interaction between acetamide derivatives and the PCA-PEG-PCA copolymers. The Interaction enthalpies and the Gibbs free energies between acetamide ...
[ 6 ] - Quantum chemical study of Interaction of PLGA polymeric nanoparticles as drug delivery with anti-cancer agents of thiazoline
Thiazoles derivatives are consisted in chemical compounds such as antimicrobial and anticancer medicine. Since polylactic-co-glycolic acid (PLGA) polymeric nanoparticles has been conversed about nanomedicine applications and particularly as drug delivery systems. Because of molecular self-assemblies and biodegradability of PLGA polymer, it can be used to carry anti-cancer and antimicrobial drug...
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