Pregled bibliografske jedinice broj: 339578
Estimation of stability constants of copper(II) and nickel(II) chelates with dipeptides by using topological indices
Estimation of stability constants of copper(II) and nickel(II) chelates with dipeptides by using topological indices // Polyhedron, 27 (2008), 2; 887-892 doi:10.1016/j.poly.2007.11.017 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 339578 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Estimation of stability constants of copper(II) and nickel(II) chelates with dipeptides by using topological indices
Autori
Miličević, Ante ; Raos, Nenad
Izvornik
Polyhedron (0277-5387) 27
(2008), 2;
887-892
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Connectiviy index; Linear regression models; Indicator variable; Hydrophobicity parameters
Sažetak
The estimation of the overall stability constants β 1 of copper(II) and nickel(II) chelates with dipeptides by using the model with the valence connectivity index of the 3rd order (3χ v) was performed by dividing β 1 to their constituting constants K1 and Ka, and subsequently by dividing the basic set into subsets or treating the chelate rings as separate units. Altogether 15 copper(II) and eight nickel(II) chelates with dipeptides were investigated. Six models for the estimation of log K1 and pKa were checked, most of them by usage of indicator variables (for differentiation of copper(II) and nickel(II) complexes or subclasses of ligands). Estimates of log β 1 gave the range of S.E.cv values from 0.19 to 0.27. For the best model errors of estimates were less than 0.34.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
022-1770495-2901 - Razvoj modela za procjenu vrijednosti konstanti stabilnosti (Raos, Nenad, MZOS ) ( CroRIS)
Ustanove:
Institut za medicinska istraživanja i medicinu rada, Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
