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The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease
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| Zeitschriftentitel: | AIP Advances |
|---|---|
| Personen und Körperschaften: | , |
| In: | AIP Advances, 9, 2019, 12 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
AIP Publishing
|
| Schlagwörter: |
| author_facet |
Pavuluru, N. Luo, X. Pavuluru, N. Luo, X. |
|---|---|
| author |
Pavuluru, N. Luo, X. |
| spellingShingle |
Pavuluru, N. Luo, X. AIP Advances The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease General Physics and Astronomy |
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pavuluru, n. |
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Pavuluru, N. Luo, X. 2158-3226 AIP Publishing General Physics and Astronomy http://dx.doi.org/10.1063/1.5125123 <jats:p>In this study, we conducted density functional theory calculations comparing the binding energy of the copper-amyloid-β complex to the binding energies of potential chelation materials. We used the first-coordination sphere of the truncated high-pH amyloid-β protein subject to computational limits. Binding energy and charge transfer calculations were evaluated for copper’s interaction with potential chelators: monolayer boron nitride, monolayer molybdenum disulfide, and monolayer silicene. Silicene produced the highest binding energies to copper, and the evidence of charge transfer between copper and the monolayer proves that a strong ionic bond is present. Although our three monolayers did not directly present chelation potential, the absolute differences between the binding energies of the silicene binding sites and the amyloid-β binding sites were minimal, proving that further research in silicene chelators may be useful for therapy in Alzheimer’s disease.</jats:p> The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease AIP Advances |
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| title |
The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_unstemmed |
The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_full |
The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_fullStr |
The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
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The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_short |
The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_sort |
the investigation of 2d monolayers as potential chelation agents in alzheimer’s disease |
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General Physics and Astronomy |
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http://dx.doi.org/10.1063/1.5125123 |
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2019 |
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<jats:p>In this study, we conducted density functional theory calculations comparing the binding energy of the copper-amyloid-β complex to the binding energies of potential chelation materials. We used the first-coordination sphere of the truncated high-pH amyloid-β protein subject to computational limits. Binding energy and charge transfer calculations were evaluated for copper’s interaction with potential chelators: monolayer boron nitride, monolayer molybdenum disulfide, and monolayer silicene. Silicene produced the highest binding energies to copper, and the evidence of charge transfer between copper and the monolayer proves that a strong ionic bond is present. Although our three monolayers did not directly present chelation potential, the absolute differences between the binding energies of the silicene binding sites and the amyloid-β binding sites were minimal, proving that further research in silicene chelators may be useful for therapy in Alzheimer’s disease.</jats:p> |
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| description | <jats:p>In this study, we conducted density functional theory calculations comparing the binding energy of the copper-amyloid-β complex to the binding energies of potential chelation materials. We used the first-coordination sphere of the truncated high-pH amyloid-β protein subject to computational limits. Binding energy and charge transfer calculations were evaluated for copper’s interaction with potential chelators: monolayer boron nitride, monolayer molybdenum disulfide, and monolayer silicene. Silicene produced the highest binding energies to copper, and the evidence of charge transfer between copper and the monolayer proves that a strong ionic bond is present. Although our three monolayers did not directly present chelation potential, the absolute differences between the binding energies of the silicene binding sites and the amyloid-β binding sites were minimal, proving that further research in silicene chelators may be useful for therapy in Alzheimer’s disease.</jats:p> |
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| spelling | Pavuluru, N. Luo, X. 2158-3226 AIP Publishing General Physics and Astronomy http://dx.doi.org/10.1063/1.5125123 <jats:p>In this study, we conducted density functional theory calculations comparing the binding energy of the copper-amyloid-β complex to the binding energies of potential chelation materials. We used the first-coordination sphere of the truncated high-pH amyloid-β protein subject to computational limits. Binding energy and charge transfer calculations were evaluated for copper’s interaction with potential chelators: monolayer boron nitride, monolayer molybdenum disulfide, and monolayer silicene. Silicene produced the highest binding energies to copper, and the evidence of charge transfer between copper and the monolayer proves that a strong ionic bond is present. Although our three monolayers did not directly present chelation potential, the absolute differences between the binding energies of the silicene binding sites and the amyloid-β binding sites were minimal, proving that further research in silicene chelators may be useful for therapy in Alzheimer’s disease.</jats:p> The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease AIP Advances |
| spellingShingle | Pavuluru, N., Luo, X., AIP Advances, The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease, General Physics and Astronomy |
| title | The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_full | The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_fullStr | The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_full_unstemmed | The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_short | The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| title_sort | the investigation of 2d monolayers as potential chelation agents in alzheimer’s disease |
| title_unstemmed | The investigation of 2D monolayers as potential chelation agents in Alzheimer’s disease |
| topic | General Physics and Astronomy |
| url | http://dx.doi.org/10.1063/1.5125123 |