Organic chemistry
1. Photosensitization of coronene–purine hybrids for photodynamic therapy

Amir Hossein Rasouli Amirabadi; Mahmoud Mirzaei

Volume 7, Issue 4. pp. 352-471, Serial No. 25 , Autumn 2019, , Pages 398-404

http://dx.doi.org/10.30473/icc.2019.44075.1511

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

Photosensitization of coronene–purine hybrids for photodynamic therapy


Organic chemistry
2. A computational molecular approach on chitosan vehicle for metformin

Mahmoud Mirzaei; Oguz Gulseren; Elham Jafari; Mehdi Aramideh

Volume 7, Issue 4. pp. 352-471, Serial No. 25 , Autumn 2019, , Pages 380-389

http://dx.doi.org/10.30473/icc.2019.43014.1490

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

A computational molecular approach on chitosan vehicle for metformin


Physical chemistry
3. Photosensitizing properties for porphyrazine and some derivatives

Amir Hossein Rasouli Amirabadi; Mahmoud Mirzaei

Volume 7, Issue 2, pp. 125-241, Serial No. 23 , Spring 2019, , Pages 223-227

http://dx.doi.org/10.30473/icc.2018.42467.1481

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

Photosensitizing properties for porphyrazine and some derivatives