Volume 3 (2021)
Volume 2 (2020)
Volume 1 (2019)
Author = Mahmoud Mirzaei
Number of Articles: 3
1. A computational molecular approach on chitosan vehicle for metformin
Volume 1, Issue 4 , July and August 2019, , Pages 334-343
Abstract
Density functional theory (DFT) calculations have been performed to study properties of chitosan (Chit) as a possible vehicle for carrying metformin (Met) drug. To this aim, the singular molecules of Met and Chit have been first optimized and sixteen possible bimolecular complexes have been subsequently ... Read More)
2. Photosensitization of coronene–purine hybrids for photodynamic therapy
Volume 1, Issue 4 , July and August 2019, , Pages 352-358
Abstract
Photosensitization properties of coronene-purine (Cor-P) hybrids for photodynamic therapy (PDT) have been investigated in this work. Eight hybrid Cor-P models have been designed by the additional of adenine (A) and guanine (G) nucleobase to Cor species. The evaluated absorption and emission energies ... Read More)
3. Photosensitizing properties for porphyrazine and some derivatives
Volume 1, Issue 2 , March and April 2019, , Pages 223-227
Abstract
Time-dependent density functional theory (TD-DFT) calculations were performed to study photosensitizing properties for porphrazine and eleven of its related derivatives. Two model categories have been considered based on the existence of CN functional group in addition to the other functional groups; ... Read More)