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TitlePhoton induced charge and structural dynamics in gas-phase DNA
Identifier
Identifierurn:nbn:nl:ui:11-c2be9129-dda7-4ef0-96da-205f29011e04
Identifierc2be9129-dda7-4ef0-96da-205f29011e04
Identifier11370/c2be9129-dda7-4ef0-96da-205f29011e04
Identifier10.33612/diss.232779350
Identifierurn:nbn:nl:ui:11-c2be9129-dda7-4ef0-96da-205f29011e04
Identifier
PublisherUniversity of Groningen
AbstractIn this thesis, the response of DNA upon absorption of energetic photons have been systematically investigated, with a home-built tandem mass spectrometer that combines an electrospray ion source with a Paul trap. The thesis includes three studies: (a) a near-edge soft X-ray absorption mass spectrometry (NEXAMS) experiment at nitrogen K-edge has been performed on a singly-protonated trinucleotide dFUAG. With the time-dependent density functional theory (TD-DFT) calculations, we have analyzed the protonation effect on electronic structures and have determined the protonation site. (b) By using NEXAMS on dFUAG at K-edges of carbon, nitrogen, oxygen and fluorine, the hydrogen transfer from the DNA backbone towards the nucleobase is found to be a fundamental phenomenon occuring during the base loss process during DNA fragmentation, which can also be induced by resonant soft X-ray absorptions. The TD-DFT calculations show great agreement with the experiments. The non-covalent interaction (NCI) maps give the most obvious intramolecular hydrogen bonds between the base and backbone suggesting the most possible hydrogen acceptors and donors during the hydrogen transfer process. (c) A serials of ultrafast NIR and VUV fragmentation experiments for DNA G-quadruplexes and their counter- monomers have been conducted and allowed us to successfully find the best candidate system for the study of G4 ultrafast unfolding process. With this system, a clear time effect on G4 unfolding has been observed in the following VUV-pump NIR-probe experiments.
Date2022
Typeinfo:eu-repo/semantics/doctoralthesis
Languageen
Relation
Formatapplication/pdf
Formatapplication/pdf
AuthorWang, Xin
ContributorsHoekstra, Ronnie; Schlathölter, Thomas; Quantum interactions and structural dynamics
Rightsinfo:eu-repo/semantics/openAccess