Pregled bibliografske jedinice broj: 742605
General Model Based on Connectivity Index 3χv for the Prediction of Stability Constants of Copper II) Complexes with α-amino Acids
General Model Based on Connectivity Index 3χv for the Prediction of Stability Constants of Copper II) Complexes with α-amino Acids // Topics in Chemical Graph Theory / Gutman, Ivan (ur.).
Kragujevac: Univerzitet u Kragujevcu, 2014. str. 193-204
CROSBI ID: 742605 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
General Model Based on Connectivity Index 3χv for the Prediction of Stability Constants of Copper II) Complexes with α-amino Acids
Autori
Miličević, Ante ; Raos, Nenad
Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, ostalo
Knjiga
Topics in Chemical Graph Theory
Urednik/ci
Gutman, Ivan
Izdavač
Univerzitet u Kragujevcu
Grad
Kragujevac
Godina
2014
Raspon stranica
193-204
ISBN
978-86-6009-027-2
Ključne riječi
Copper(II) chelates, Topological indices, Regression models
Sažetak
We presented the general model for the prediction of stability constants (log K1 and log ß2) of copper(II) complexes with 16 α-amino acids (polar, aromatic and aliphatic), based on 3χv index. The model utilized the presumption of the interactions between the amino-acid side chains of some amino acids and apically bonded water, yielding the standard errors within the experimental errors (S.E. = 0.03, r = 0.992 and S.E. = 0.04, r = 0.991 for log K1 and log ß2, respectively). Also, for the set of nine α-amino acids we obtained regressions of the same quality as previous models but with simpler, i.e. univariate linear model.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut za medicinska istraživanja i medicinu rada, Zagreb
