شماره ركورد كنفرانس :
3834
عنوان مقاله :
THEORETICAL STUDY ON THE ABILITY OF THE (GLY)4 CYCLIC NANOPEPTIDE AS A SENSOR FOR ALKALINE EARTH METAL IONS
پديدآورندگان :
Khavani Mohammad Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad, Iran , Izadyar Mohammad Izadyar@um.ac.ir Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad, Iran; , Housaindokht Mohammad Reza Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad, Iran
كليدواژه :
Glycine , Nanopeptide , Sensor , Alkaline erath metal
عنوان كنفرانس :
نوزدهمين سمينار شيمي فيزيك ايران
چكيده فارسي :
The cyclic peptides constructed of four sequences of glycine (CP) has been employed for selective complexation with Be2+, Mg2+, Ca2+, Sr2+ and Ba2+ metal ions. Obtained data, from the density functional theory, showed that CP has the most stable complexes with Be2+ ion, because of maximum interaction with oxygen atoms of the CP. Natural bond orbital analysis indicates that electron charge transfer from oxygen and nitrogen atoms of CP to the metal ions. This reveals that the electrostatic interaction between the metal ion and CP is an important factor in complexation.
