Potential molecular and graphene oxide chelators to dissolve amyloid-β plaques in Alzheimer's disease: A density functional theory study

2021 ◽  
Author(s):  
Christina Liu ◽  
Xuan Luo
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Density Functional Theory ◽  
Graphene Oxide ◽  
Density Functional ◽  
Amyloid Β ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Aβ Aggregation ◽  
Copper Zinc

The onset of Alzheimer's disease (AD) is caused by amyloid-β (Aβ) aggregation. Elevated levels of metals, specifically copper, zinc, iron, and aluminum, accumulate in senile Aβ plaque deposits, disrupting normal...

scholarly journals Comparison of Two Methods for the Estimation of Stability of Copper(II) Bis-Complexes with Aromatic Ligands Relevant to Alzheimer’s Disease

2013 ◽  
Vol 64 (4) ◽  
pp. 539-545 ◽  
Author(s):  
Ante Miličević ◽  
Nenad Raos
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Density Functional Theory ◽  
Stability Constants ◽  
Density Functional ◽  
Connectivity Index ◽  
Intercalation Compounds ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
The Stability

Abstract 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.

Bimetallic platinum–rhodium nanocomposites for dimethylamine borane dehydrogenation: an experimental and density functional theory study

2020 ◽  
Vol 10 (14) ◽  
pp. 4624-4634
Author(s):  
Oznur Alptekin ◽  
Betul Sen ◽  
Hilal Acidereli ◽  
Umran Ercetin ◽  
Mehmet Ferdi Fellah ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Graphene Oxide ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dimethylamine Borane

In this study, bimetallic platinum–rhodium nanocomposites supported on graphene oxide (PtRh@GO) were synthesized and used as a catalyst in the dimethylamine borane (DMAB) dehydrogenation.

Sign in / Sign up

Export Citation Format

Share Document