Title :
Effect of the transition metals on the carnosine coordination complexes structure
Author :
Demukhamedova, S.D. ; Alieva, I.N. ; Gojayev, N.M.
Author_Institution :
Inst. for Phys. Problems, Baku State Univ., Baku, Azerbaijan
Abstract :
The spatial and electronic structures of the carnosine monomer coordination complexes with zinc and copper ions were investigated by the semi-empirical of MM+ molecular mechanics and PM3 quantum chemistry methods. The effect of the transition atoms on the geometrical and energy parameters of the monomer complexes with two forms of imidazole ring was studied.
Keywords :
PM3 calculations; copper; molecular configurations; molecular dynamics method; molecular electronic states; organic compounds; zinc; Cu; MM+ molecular mechanics; PM3 quantum chemistry methods; Zn; carnosine coordination complexes structure; copper ions; electronic structures; imidazole ring; semi-empirical methods; spatial structures; transition atoms; transition metal effect; zinc ions; Chemistry; Copper; Hypercubes; Quantum mechanics; Zinc;
Conference_Titel :
Application of Information and Communication Technologies, 2009. AICT 2009. International Conference on
Conference_Location :
Baku
Print_ISBN :
978-1-4244-4739-8
Electronic_ISBN :
978-1-4244-4740-4
DOI :
10.1109/ICAICT.2009.5372539
