Naslov
The Electrochemical and Molecular Dynamics Study of Aliphatic-Aliphatic Interactions in Copper(II) Amino acid Complexes

Autori
Branica Gina, Sabolović Jasmina

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
1st European Chemistry Congress, Abstract book / Kundig, Peter ; Horvai, George ; Bombicz Petra - Budimpešta : The European Association for Chemical and Molecular Sciences, 2006

Skup
1st European Chemistry Congress

Mjesto i datum
Budimpešta, Mađarska, 27.08.2006. - 31.08.2006

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
steric hindrance; force field; cyclic voltammetry

Sažetak
Copper amino acidates are considered to be good models of active sites of copper containing redox enzymes. This paper deals with the cyclic voltammetry of bis-copper complexes with aliphatic L-amino acids and their N-dimethyl derivatives in aqueous solution. The influence of N-dimethyl substitutents and of aliphatic amino acid residues on the redox behaviour of the complexes were investigated under physiological conditions (0.15 mol/L). All studied complexes showed two-electron and quasi-reversible electrochemical reactions. Lower stabilities deduced from the redox potential were obtained for the dimethylated than for unsubstitued copper complexes, as we expected [1]. However, bis(L-leucinato)copper(II) showed the lowest stability and its N, N-dimethyl derivative the highest stability among the complexes with natural and dimethylated amino acids, respectively. To examine whether different electrochemical behaviour can be explained with sterical reasons and aliphatic-aliphatic interactions, the molecular dynamics calculations using the force field developed for copper(II) amino acidates [2] are attempted in aqueous medium.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Temeljne medicinske znanosti

Napomena
Rezultati prikazani na posteru bili su i usmeno izloženi uz PP prezentaciju.

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