|Title||New approach to analyse spin probe and spin trap ESR|
|Source||University. Promotor(en): Herbert van Amerongen, co-promotor(en): Henk van As. - [S.l. : S.n. - ISBN 9789085858409 - 145|
|Publication type||Dissertation, internally prepared|
|Keyword(s)||paramagnetische elektronenresonantiespectroscopie - chemische reacties - vrije radicalen - biofysica - electron paramagnetic resonance spectroscopy - chemical reactions - free radicals - biophysics|
|Abstract||The goal of this thesis is to develop new comprehensive methods for the analysis of ESR spectra and interpretation of magnetic parameters. A new approach for the analysis of fast isotropic spectra is proposed. It is based on a combination of an experimental approach (multifrequency ESR) and accurate spectra simulation using an improved model, that will be further introduced below. The determined magnetic parameters of the spin probe are directly interpreted in terms of structural information about the spin probe surroundings (lipid bilayer). The obtained magnetic parameters of various spin traps are interpreted by artificial neural networks (ANN) in order to obtain information about the identities of trapped radicals. Then, Density Functional Theory (DFT) calculations are applied to study the mechanism of reactions involving free radicals detected by spin trapping ESR and to calculate magnetic parameters of the radical adducts.