Zuidema, Tim (2023) Computationally Distinguishing Various α-Synuclein Polymorphs with Infrared Absorption Spectra. Bachelor's Thesis, Physics.
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Abstract
This thesis aims to provide insight into the infrared absorption spectrum of three different polymorphs of α-synuclein, which all might provide for a different pathway of Parkinson’s disease. Parkinson’s disease is a neurodegenerative disorder characterized by Lewy bodies. The Hamiltonians of the polymorphs are investigated to provide insight into how the structures of the polymorphs influence their infrared absorption spectra. Two out of the three structures are only partial structures. It became clear that 2N0A and 8ADV are most likely distinguishable. The differences in absorption between the spectra are minor, likely because differing secondary structures did not have large differences in absorption. However, some things could be done to improve these results. Structures with complete chains would create more uses for this data as that would allow for even better comparison with physical structures. Larger structures could be used to limit edge effects. 2DIRRaman spectroscopy could be used to get a more detailed view of the absorption. The last two options are however very computationally expensive. Using isotope labeling during an experiment would make the computational results of partial structures presented in this thesis more comparable to experimental results.
| Item Type: | Thesis (Bachelor's Thesis) |
|---|---|
| Supervisor name: | Jansen, T.L.C. and Adrichem, K.E. van |
| Degree programme: | Physics |
| Thesis type: | Bachelor's Thesis |
| Language: | English |
| Date Deposited: | 20 Nov 2023 11:00 |
| Last Modified: | 20 Nov 2023 11:00 |
| URI: | https://fse.studenttheses.ub.rug.nl/id/eprint/31653 |
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