Photochemical and photodynamical properties of sulfur‐substituted nucleic acid bases

B Ashwood, M Pollum… - Photochemistry and …, 2019 - Wiley Online Library
Sulfur‐substituted nucleobases (aka, thiobases) are among the world's leading prescriptions
for chemotherapy and immunosuppression. Long‐term treatment with azathioprine, 6 …

Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy

D Mayer, F Lever, D Picconi, J Metje… - Nature …, 2022 - nature.com
The conversion of photon energy into other energetic forms in molecules is accompanied by
charge moving on ultrafast timescales. We directly observe the charge motion at a specific …

Observation of the sub-100 femtosecond population of a dark state in a thiobase mediating intersystem crossing

R Borrego-Varillas, DC Teles-Ferreira… - Journal of the …, 2018 - ACS Publications
We combined sub-30 fs broadband transient absorption spectroscopy in the ultraviolet with
state-of-the-art quantum mechanics/molecular mechanics simulations to study the ultrafast …

Mechanistic photophysics and photochemistry of unnatural bases and sunscreen molecules: insights from electronic structure calculations

BB Xie, XF Tang, XY Liu, XP Chang… - Physical Chemistry …, 2021 - pubs.rsc.org
Photophysics and photochemistry are basic subjects in the study of light-matter interactions
and are ubiquitous in diverse fields such as biology, energy, materials, and environment. A …

Double Thionated Pyrimidine Nucleobases: Molecular Tools with Tunable Photoproperties

A Mohamadzade, A Nenov, M Garavelli… - Journal of the …, 2023 - ACS Publications
Sulfur-substituted nucleobases are DNA and RNA base derivatives that exhibit extremely
efficient photoinduced intersystem crossing (ISC) dynamics into the lowest-energy triplet …

Ultrafast intersystem crossing dynamics of 6-selenoguanine in water

D Valverde, S Mai, S Canuto, AC Borin, L González - JACS Au, 2022 - ACS Publications
Rationalizing the photochemistry of nucleobases where an oxygen is replaced by a heavier
atom is essential for applications that exploit near-unity triplet quantum yields. Herein, we …

A unified experimental/theoretical description of the ultrafast photophysics of single and double thionated uracils

DC Teles‐Ferreira, I Conti… - … A European Journal, 2020 - Wiley Online Library
Photoinduced processes in thiouracil derivatives have lately attracted considerable attention
due to their suitability for innovative biological and pharmacological applications. Here, sub …

Solvent‐Dependent Stabilization of a Charge Transfer State is the Key to Ultrafast Triplet State Formation in an Epigenetic DNA Nucleoside

X Wang, L Martínez‐Fernández… - … A European Journal, 2021 - Wiley Online Library
Deoxy‐5‐formylcytidine (5fdCyd), a naturally occurring nucleoside found in mammalian
DNA and mitochondrial RNA, exhibits important epigenetic functionality in biological …

Simulated and experimental time-resolved photoelectron spectra of the intersystem crossing dynamics in 2-thiouracil

S Mai, A Mohamadzade, P Marquetand, L González… - Molecules, 2018 - mdpi.com
We report time-dependent photoelectron spectra recorded with a single-photon ionization
setup and extensive simulations of the same spectra for the excited-state dynamics of 2 …

Mechanistic photophysics of tellurium‐substituted cytosine: Electronic structure calculations and nonadiabatic dynamics simulations1

XP Chang, JL Wang, LY Peng, XJ Cen… - Photochemistry and …, 2024 - Wiley Online Library
Previously, the MS‐CASPT2 method was performed to study the static and qualitative
photophysics of tellurium‐substituted cytosine (TeC). To get quantitative information, we …