Food-borne chemical carcinogens and the evidence for human cancer risk
Commonly consumed foods and beverages can contain chemicals with reported
carcinogenic activity in rodent models. Moreover, exposures to some of these substances …
carcinogenic activity in rodent models. Moreover, exposures to some of these substances …
Solvent effects on ultrafast photochemical pathways
RK Venkatraman, AJ Orr-Ewing - Accounts of Chemical Research, 2021 - ACS Publications
Conspectus Photochemical reactions are increasingly being used for chemical and
materials synthesis, for example, in photoredox catalysis, and generally involve …
materials synthesis, for example, in photoredox catalysis, and generally involve …
sp3 C–H Arylation and Alkylation Enabled by the Synergy of Triplet Excited Ketones and Nickel Catalysts
Triplet ketone sensitizers are of central importance within the realm of photochemical
transformations. Although the radical-type character of triplet excited states of diaryl ketones …
transformations. Although the radical-type character of triplet excited states of diaryl ketones …
Assessing the performances of CASPT2 and NEVPT2 for vertical excitation energies
Methods able to simultaneously account for both static and dynamic electron correlations
have often been employed, not only to model photochemical events but also to provide …
have often been employed, not only to model photochemical events but also to provide …
The IPEA dilemma in CASPT2
Multi-configurational second order perturbation theory (CASPT2) has become a very
popular method for describing excited-state properties since its development in 1990. To …
popular method for describing excited-state properties since its development in 1990. To …
Benzophenone ultrafast triplet population: revisiting the kinetic model by surface-hopping dynamics
M Marazzi, S Mai, D Roca-Sanjuán… - The Journal of …, 2016 - ACS Publications
The photochemistry of benzophenone, a paradigmatic organic molecule for
photosensitization, was investigated by means of surface-hopping ab initio molecular …
photosensitization, was investigated by means of surface-hopping ab initio molecular …
Synthesis of Polymer Brushes Via SI‐PET‐RAFT for Photodynamic Inactivation of Bacteria
Biofilms are a persistent issue in healthcare and industry. Once formed, the eradication of
biofilms is challenging as the extracellular polymeric matrix provides protection against …
biofilms is challenging as the extracellular polymeric matrix provides protection against …
Understanding DNA under oxidative stress and sensitization: The role of molecular modeling
DNA is constantly exposed to damaging threats coming from oxidative stress, ie, from the
presence of free radicals and reactive oxygen species. Sensitization from exogenous and …
presence of free radicals and reactive oxygen species. Sensitization from exogenous and …
Photoinduced intersystem crossing in DNA oxidative lesions and epigenetic intermediates
A Francés-Monerris, M Lineros-Rosa… - Chemical …, 2020 - pubs.rsc.org
The propensity of 5-formyluracil and 5-formylcytosine, ie oxidative lesions and epigenetic
intermediates, in acting as intrinsic DNA photosensitizers is unraveled by using a …
intermediates, in acting as intrinsic DNA photosensitizers is unraveled by using a …
A perspective on the ultrafast photochemistry of solution-phase sunscreen molecules
LA Baker, SE Greenough… - The Journal of Physical …, 2016 - ACS Publications
Sunscreens are one of the most common ways of providing on-demand additional
photoprotection to the skin. Ultrafast transient absorption spectroscopy has recently proven …
photoprotection to the skin. Ultrafast transient absorption spectroscopy has recently proven …