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Izvorni znanstveni članak
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 | citiraj | |
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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 22.11.2019. 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 22.11.2019.];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 |
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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
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