Factors Affecting Charge Transfer States in DNA Dinucleotides
Author Information
Author(s): Vasilis Petropoulos, Lara Martinez-Fernandez, Lorenzo Uboldi, Margherita Maiuri, Giulio Cerullo, Evangelos Balanikas, Dimitra Markovitsi
Primary Institution: Dipartimento di Fisica, Politecnico di Milano
Hypothesis
What factors influence the population of excited charge transfer states in adenine/guanine dinucleotides?
Conclusion
The study reveals that the stacking pattern and ground state geometry significantly affect the formation of charge transfer states in dinucleotides AG and GA.
Supporting Evidence
- The most stable conformer for AG is anti-syn, while for GA it is anti-anti.
- Charge transfer processes occur within approximately 120 fs.
- Quantum yields for charge transfer state formation are estimated to be 0.18 for AG and 0.32 for GA.
Takeaway
This study looks at how DNA can absorb light and create charged states, which can lead to damage. It finds that the shape of the DNA affects how well this happens.
Methodology
The study used quantum chemistry calculations and transient absorption spectroscopy to analyze the dinucleotides.
Limitations
The study does not quantify the exact concentrations of different conformers present in the solutions.
Digital Object Identifier (DOI)
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