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Original scientific paper
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

Fulltext: english, pdf (107 KB) pages 539-544 downloads: 304* cite
APA 6th Edition
Miličević, A. & 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 and 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, no. 4, 2013, pp. 539-544. https://doi.org/10.2478/10004-1254-64-2013-2418. Accessed 21 Jul. 2019.
Chicago 17th Edition
Miličević, Ante and 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, no. 4 (2013): 539-544. https://doi.org/10.2478/10004-1254-64-2013-2418
Harvard
Miličević, A., and 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), pp. 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 [cited 2019 July 21];64(4):539-544. https://doi.org/10.2478/10004-1254-64-2013-2418
IEEE
A. Miličević and 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, no. 4, pp. 539-544, 2013. [Online]. https://doi.org/10.2478/10004-1254-64-2013-2418

Abstracts
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.

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

Hrčak ID: 111769

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

[croatian]

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