19th Iranian Physical Chemistry Conference , 2016-09-13

Title : ( THEORETICAL STUDY ON THE ABILITY OF THE (GLY)4 CYCLIC NANOPEPTIDE AS A SENSOR FOR ALKALINE EARTH METAL IONS )

Authors: Mohammad Khavani Sariani , Mohammad Izadyar , Mohammad Reza Housaindokht ,

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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.

Keywords

, Cyclic peptide, Glycine, Complex, Metal
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@inproceedings{paperid:1058700,
author = {Khavani Sariani, Mohammad and Izadyar, Mohammad and Housaindokht, Mohammad Reza},
title = {THEORETICAL STUDY ON THE ABILITY OF THE (GLY)4 CYCLIC NANOPEPTIDE AS A SENSOR FOR ALKALINE EARTH METAL IONS},
booktitle = {19th Iranian Physical Chemistry Conference},
year = {2016},
location = {Rasht, IRAN},
keywords = {Cyclic peptide; Glycine; Complex; Metal ion},
}

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%0 Conference Proceedings
%T THEORETICAL STUDY ON THE ABILITY OF THE (GLY)4 CYCLIC NANOPEPTIDE AS A SENSOR FOR ALKALINE EARTH METAL IONS
%A Khavani Sariani, Mohammad
%A Izadyar, Mohammad
%A Housaindokht, Mohammad Reza
%J 19th Iranian Physical Chemistry Conference
%D 2016

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