Study of bioconjugated ZnO Au nanocomposite using experimental and first principles methods

Abstract

In the present thesis, we have reported synthesis and characterizations of newlinebioconjugated ZnO Au nanocomposite (NC) by using experimental as newlinewell as theoretical calculations. First principles calculations have been newlineperformed to check the interaction of amino acids Arginine, Histidine and newlineAspartic acid with ZnO ) 0 1 10( surface. Results for favorable interaction newlinesites of AA functional groups with ZnO surface have been reported. We newlinehave also reported the first principles investigations to show the newlineinteractions between AA and ZnO NPs at molecular level by modeling newlineZnO atomic clusters. In addition to the bioconjugation of ZnO with AA, newlinewe have performed experimental study to synthesize ZnO Au NC where newlineZnO NPs have been prepared in the presence of AA and Au NPs have been newlineprepared by using citrate method. The properties of bioconjugated ZnO newlineAu NC prepared in the presence of different AA have been analyzed by newlineusing different characterization techniques and presented in the thesis. newline