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https://doi.org/10.2478/10004-1254-64-2013-2418

Comparison of Two Methods for the Estimation of Stability of Copper(II) bis-Complexes with Aromatic Ligands Relevant to Alzheimer's Disease

Ante Miličević ; Institute for Medical Research and Occupational Health, Zagreb, Croatia
Nenad Raos ; Institute for Medical Research and Occupational Health, Zagreb, Croatia

Puni tekst: engleski, pdf (107 KB) str. 539-544 preuzimanja: 304* citiraj
APA 6th Edition
Miličević, A. i Raos, N. (2013). Comparison of Two Methods for the Estimation of Stability of Copper(II) bis-Complexes with Aromatic Ligands Relevant to Alzheimer's Disease. Arhiv za higijenu rada i toksikologiju, 64 (4), 539-544. https://doi.org/10.2478/10004-1254-64-2013-2418
MLA 8th Edition
Miličević, Ante i Nenad Raos. "Comparison of Two Methods for the Estimation of Stability of Copper(II) bis-Complexes with Aromatic Ligands Relevant to Alzheimer's Disease." Arhiv za higijenu rada i toksikologiju, vol. 64, br. 4, 2013, str. 539-544. https://doi.org/10.2478/10004-1254-64-2013-2418. Citirano 20.07.2019.
Chicago 17th Edition
Miličević, Ante i Nenad Raos. "Comparison of Two Methods for the Estimation of Stability of Copper(II) bis-Complexes with Aromatic Ligands Relevant to Alzheimer's Disease." Arhiv za higijenu rada i toksikologiju 64, br. 4 (2013): 539-544. https://doi.org/10.2478/10004-1254-64-2013-2418
Harvard
Miličević, A., i Raos, N. (2013). 'Comparison of Two Methods for the Estimation of Stability of Copper(II) bis-Complexes with Aromatic Ligands Relevant to Alzheimer's Disease', Arhiv za higijenu rada i toksikologiju, 64(4), str. 539-544. https://doi.org/10.2478/10004-1254-64-2013-2418
Vancouver
Miličević A, Raos N. Comparison of Two Methods for the Estimation of Stability of Copper(II) bis-Complexes with Aromatic Ligands Relevant to Alzheimer's Disease. Arh Hig Rada Toksikol. [Internet]. 2013 [pristupljeno 20.07.2019.];64(4):539-544. https://doi.org/10.2478/10004-1254-64-2013-2418
IEEE
A. Miličević i N. Raos, "Comparison of Two Methods for the Estimation of Stability of Copper(II) bis-Complexes with Aromatic Ligands Relevant to Alzheimer's Disease", Arhiv za higijenu rada i toksikologiju, vol.64, br. 4, str. 539-544, 2013. [Online]. https://doi.org/10.2478/10004-1254-64-2013-2418

Sažetak
In order to compare the density functional theory (DFT) and the method with the molecular valence connectivity index of the 3rd order (3χv) in the estimation of stability constants log β2, we used copper(II) complexes with thioflavin-based intercalation compounds designed for application in Alzheimer’s disease. Correlation of ten log β2 values calculated by DFT with 3χv yielded r=0.988 and S.E.=0.85. The correlations of indices ING, HOMA and 3χv with log β2, and the intercorrelations between the indices revealed the crucial influence of 3χv on the prediction of the stability of these complexes.

Ključne riječi
aromaticity; density-functional theory (DFT); regression models; stability constants; topological indices

Hrčak ID: 111769

URI
https://hrcak.srce.hr/111769

[hrvatski]

Posjeta: 492 *