Quantum mechanical studies on the photophysics and the photochemistry of nucleic acids and nucleobases

R Improta, F Santoro, L Blancafort - Chemical reviews, 2016 - ACS Publications
The photophysics and photochemistry of DNA is of great importance due to the potential
damage of the genetic code by UV light. Quantum mechanical studies have played a key …

Life in the light: nucleic acid photoproperties as a legacy of chemical evolution

AA Beckstead, Y Zhang, MS de Vries… - Physical Chemistry …, 2016 - pubs.rsc.org
Photophysical investigations of the canonical nucleobases that make up DNA and RNA
during the past 15 years have revealed that excited states formed by the absorption of UV …

Physical non-equilibria for prebiotic nucleic acid chemistry

A Ianeselli, A Salditt, C Mast, B Ercolano… - Nature Reviews …, 2023 - nature.com
The prebiotic replication of DNA and RNA is a complex interplay between chemistry and the
environment. Factors that have direct and indirect effects on prebiotic chemistry include …

Early events of DNA photodamage

WJ Schreier, P Gilch, W Zinth - Annual review of physical …, 2015 - annualreviews.org
Ultraviolet (UV) radiation is a leading external hazard to the integrity of DNA. Exposure to UV
radiation triggers a cascade of chemical reactions, and many molecular products …

Triplet Excimer Formation in a DNA Duplex with Silver Ion-Mediated Base Pairs

L Martínez-Fernández, FR Kohl, Y Zhang… - Journal of the …, 2024 - ACS Publications
The dynamics of excited electronic states in self-assembled structures formed between silver
(I) ions and cytosine-containing DNA strands or monomeric cytosine derivatives were …

UV-induced charge transfer states in DNA promote sequence selective self-repair

DB Bucher, CL Kufner, A Schlueter… - Journal of the …, 2016 - ACS Publications
Absorption of UV-radiation in nucleotides initiates a number of photophysical and
photochemical processes, which may finally cause DNA damage. One major decay channel …

Multiple electronic and structural factors control cyclobutane pyrimidine dimer and 6–4 thymine–thymine photodimerization in a DNA duplex

I Conti, L Martínez‐Fernández… - … A European Journal, 2017 - Wiley Online Library
The T–T photodimerization paths leading to the formation of cyclobutane pyrimidine dimer
(CPD) and 6–4 pyrimidine pyrimidone (64‐PP), the two main DNA photolesions, have been …

Sequence dependent UV damage of complete pools of oligonucleotides

CL Kufner, S Krebs, M Fischaleck… - Scientific Reports, 2023 - nature.com
Understanding the sequence-dependent DNA damage formation requires probing a
complete pool of sequences over a wide dose range of the damage-causing exposure. We …

Excited-state dynamics of DNA duplexes with different H-bonding motifs

Y Zhang, K de La Harpe, AA Beckstead… - The Journal of …, 2016 - ACS Publications
The excited-state dynamics of three distinct forms of the d (GC) 9· d (GC) 9 DNA duplex were
studied by combined time-resolved infrared experiments and quantum mechanical …

The photophysics of nucleic acids: Consequences for the emergence of life

CL Kufner, DB Bucher, DD Sasselov - ChemSystemsChem, 2023 - Wiley Online Library
Absorption of ultraviolet (UV) radiation can trigger a variety of photophysical and
photochemical reactions in nucleic acids. In the prebiotic era, on the surface of the early …