18th Iranian Physical Chemistry Conference Kish Island, March 5-8, 2016 , 2016-03-05

Title : ( NBO Analysis on the Phosphorylated Peptide and Zn-DPA Complex as a Biosensor )

Authors: khadije larijani sheleri , Mohammad Izadyar , Mohammad Khavani Sariani , Mohammad Reza Housaindokht ,

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Dipicolylaminoligand(DPA)isoneofthemostcommonlyemployedligandsinchemosensors,providingatridentateligandwiththreenitrogendonors,whichisselectivetoZn(II)[1].Theoreticalstudiesplayanimportantroleinthedesignandimprovementofthesetypesofbiosensors.Becauseoftheimportanceofthequantumchemistrydescriptorsindeterminingthesensorsefficiencies,wedescribehereinafluorescentchemosensorbyaphosphorylatedpeptidesurface.Thissensorconsistsofasequenceofaphosphorylatedpeptideandareceptor,bis(Zn-DPA)[2].TheoptimizedstructureofthiscomplexisshowninFigure1.Inordertostudytheabilityofthepeptideasasensor,NaturalBondOrbital(NBO)analysisforchargetransferinvestigationbetweenthepeptideandDPAhasbeenperformed.

Keywords

, Phosphorylated Peptide, Chemosensor, Dipicolylamino ligand, Charge
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@inproceedings{paperid:1057851,
author = {Larijani Sheleri, Khadije and Izadyar, Mohammad and Khavani Sariani, Mohammad and Housaindokht, Mohammad Reza},
title = {NBO Analysis on the Phosphorylated Peptide and Zn-DPA Complex as a Biosensor},
booktitle = {18th Iranian Physical Chemistry Conference Kish Island, March 5-8, 2016},
year = {2016},
location = {Kish, IRAN},
keywords = {Phosphorylated Peptide; Chemosensor; Dipicolylamino ligand; Charge transfer},
}

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%0 Conference Proceedings
%T NBO Analysis on the Phosphorylated Peptide and Zn-DPA Complex as a Biosensor
%A Larijani Sheleri, Khadije
%A Izadyar, Mohammad
%A Khavani Sariani, Mohammad
%A Housaindokht, Mohammad Reza
%J 18th Iranian Physical Chemistry Conference Kish Island, March 5-8, 2016
%D 2016

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