Farveh Raoufi; Hossein Aghaei; Mehrorang Ghaedi
Abstract
An efficient and one-pot procedure for the preparation of 1,4-disubstituted 1,2,3-triazoles derivatives from reactions of various aryl azides and different terminal alkynes in the presence of functionalized carbon nanotubes (CNTs) by metformin and subsequent coordination with copper(I) has been developed. ...
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An efficient and one-pot procedure for the preparation of 1,4-disubstituted 1,2,3-triazoles derivatives from reactions of various aryl azides and different terminal alkynes in the presence of functionalized carbon nanotubes (CNTs) by metformin and subsequent coordination with copper(I) has been developed. The catalysts showed environmentally benign character, which can be easily prepared, stored, and recovered several times without obvious significant loss of activity.

Mahmoud Mirzaei; Oguz Gulseren; Elham Jafari; Mehdi Aramideh
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 ...
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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 constructed and optimized to obtaine the stabilized interacting structures. Two bimolecular complex have been seen as the most powerful interacting systems among all complexes. N5 and N8 atoms of Met are very much important atoms for interacting with Chit counterpart. Molecular parameters such as molecular orbital energies and dipole moments approved the effects of interations on both Chit and Met counterparts. Atomic scale quadrupole coupling constants demonstrated the effects of interactions on the electronic atomic sites. As a final remark, although the Chit could be used as a vehicle for Met; but further investigations are still required to see what’s happening inside the molecular systems.
