Structure–Photophysical Property Relationships in Noncanonical and Synthetic Nucleobases

SJ Hoehn, SE Krul, SK Seth… - Annual Review of …, 2025 - annualreviews.org
This review provides a focused coverage of the photophysical properties of noncanonical
and synthetic nucleobases reported over the past decade. It emphasizes key research …

Ultrafast Formation of a Delocalized Triplet-Excited State in an Epigenetically Modified DNA Duplex under Direct UV Excitation

X Wang, L Martínez-Fernández, Y Zhang… - Journal of the …, 2024 - ACS Publications
Epigenetic modifications impart important functionality to nucleic acids during gene
expression but may increase the risk of photoinduced gene mutations. Thus, it is crucial to …

Ultrafast Electronic Relaxation in 6-Methyluracil and 5-Fluorouracil in Isolated and Aqueous Conditions: Substituent and Solvent Effects

N Orimo, Y Yamamoto, S Karashima… - The Journal of …, 2023 - ACS Publications
We report ultrafast extreme ultraviolet photoelectron spectroscopy of 6-methyluracil (6mUra)
and 5-fluorouracil (5FUra) in the gas phase and 6mUra and 5-fluorouridine in an aqueous …

Natural Epigenetic DNA Modifications Cause Remote DNA Photodamage

M Schrödter, HA Wagenknecht - Journal of the American …, 2024 - ACS Publications
5-Formyl-2′-deoxycytidine, an intermediate during the erasure of epigenetic marker 5-
methyl-2′-deoxycytidine, and 5-formyl-2′-deoxyuridine, an oxidative lesion of thymidine …

Real-time observation of sub-100-fs charge and energy transfer processes in DNA dinucleotides

V Petropoulos, L Martinez-Fernandez, L Uboldi… - Chemical …, 2024 - pubs.rsc.org
Using as showcase the DNA dinucleotide 5′-dTpdG-3′, in which the thymine (T) is
located at the 5′ end with respect to the guanine (G), we study the photoinduced electronic …

Potentiality of nucleoside as antioxidant by analysis on oxidative susceptibility, drug discovery, and synthesis

ZQ Liu - Current Medicinal Chemistry, 2025 - benthamdirect.com
Nucleosides are sensitive sites towards oxidations caused by endogenous and exogenous
oxidative resources, and a large number of the produced DNA lesions behave as …

The excited state dynamics of a mutagenic guanosine etheno adduct investigated by femtosecond fluorescence spectroscopy and quantum mechanical calculations

P Lizondo‐Aranda, T Gustavsson… - … A European Journal, 2024 - Wiley Online Library
Femtosecond fluorescence upconversion experiments were combined with CASPT2 and
time dependent DFT calculations to characterize the excited state dynamics of the …

Reconciling TD‐DFT and CASPT2 electronic structure methods for describing the photophysics of DNA

VK Jaiswal, M Taddei, DR Nascimento… - Photochemistry and …, 2024 - Wiley Online Library
Time‐dependent density functional theory (TD‐DFT) and multiconfigurational second‐order
perturbation theory (CASPT2) are two of the most widely used methods to investigate …

Revealing the excited-state dynamics of cytidine and the role of excited-state proton transfer process

L Zhao, X Geng, G Han, Y Guo, R Liu… - Physical Chemistry …, 2023 - pubs.rsc.org
The high photostability of DNAs and RNAs is inextricably related to the photochemical and
photophysical properties of their building blocks, nucleobases and nucleosides, which can …

Modelling UV response of biomolecules: from electronic structure to ab-initio dynamics.

VK Jaiswal - 2022 - amsdottorato.unibo.it
The interaction of organic chromophores with light initiates ultrafast processes in the
timescale of femtoseconds. An atomistic understanding of the mechanism driving such …