شماره ركورد كنفرانس :
3834
عنوان مقاله :
STUDY OF STRUCTURAL PROPERTIES OF THE PAMAM DENDRIMER WITH BISDEMETHOXYCURCUMIN: A QUANTUM CALCULATION APPROACH
پديدآورندگان :
Davoodi-BalaJaddeh Fatemeh faezehdavoodi69@gmail.com Faculty of Chemistry, Shahrood University of Technology, Shahrood, Iran; , Moosavi-Tekyeh Zainab Faculty of Chemistry, Shahrood University of Technology, Shahrood, Iran , Tayyari Sayyed Faramarz Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran
كليدواژه :
Polyamidoamine(PAMAM)dendrimer , bisdemethoxycurcumin (DMC) , DensityFunctional Theory , Electronic Properties
عنوان كنفرانس :
نوزدهمين سمينار شيمي فيزيك ايران
چكيده فارسي :
The purpose of this study was to perform a density functional theory to calculate the interaction energy of the first generation (G1) of polyamidoamine (PAMAM) dendrimer with anti-cancer bisdemethoxycurcumin (DMC). The dipole moment, the chemical reactivity indices were calculated at the B3LYP/6-31G (d,p) level of theory. According to DFT calculation, there were two intermolecular hydrogen bonding interactions in G1-PAMAM-DMC
