Quantum mechanical studies on the photophysics and the photochemistry of nucleic acids and nucleobases
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 …
damage of the genetic code by UV light. Quantum mechanical studies have played a key …
Photoprotection: extending lessons learned from studying natural sunscreens to the design of artificial sunscreen constituents
Evolution has ensured that plants and animals have developed effective protection
mechanisms against the potentially harmful effects of incident ultraviolet radiation (UVR) …
mechanisms against the potentially harmful effects of incident ultraviolet radiation (UVR) …
Simulating coherent multidimensional spectroscopy of nonadiabatic molecular processes: From the infrared to the x-ray regime
Crossings of electronic potential energy surfaces in nuclear configuration space, known as
conical intersections, determine the rates and outcomes of a large class of photochemical …
conical intersections, determine the rates and outcomes of a large class of photochemical …
Charge migration induced by attosecond pulses in bio-relevant molecules
After sudden ionization of a large molecule, the positive charge can migrate throughout the
system on a sub-femtosecond time scale, purely guided by electronic coherences. The …
system on a sub-femtosecond time scale, purely guided by electronic coherences. The …
Ultrafast photoprotecting sunscreens in natural plants
We explore the ultrafast photoprotective properties of a series of sinapic acid derivatives in a
range of solvents, utilizing femtosecond transient electronic absorption spectroscopy. We …
range of solvents, utilizing femtosecond transient electronic absorption spectroscopy. We …
Probing the ultrafast energy dissipation mechanism of the sunscreen oxybenzone after UVA irradiation
Oxybenzone is a common constituent of many commercially available sunscreens providing
photoprotection from ultraviolet light incident on the skin. Femtosecond transient electronic …
photoprotection from ultraviolet light incident on the skin. Femtosecond transient electronic …
Photophysics of deoxycytidine and 5-methyldeoxycytidine in solution: a comprehensive picture by quantum mechanical calculations and femtosecond fluorescence …
The study concerns the relaxation of electronic excited states of the DNA nucleoside
deoxycytidine (dCyd) and its methylated analogue 5-methyldeoxycytidine (5mdCyd), known …
deoxycytidine (dCyd) and its methylated analogue 5-methyldeoxycytidine (5mdCyd), known …
Dynamics of anions: from bound to unbound states and everything In between
Gas-phase anions present an ideal playground for the exploration of excited-state dynamics.
They offer control in terms of the mass, extent of solvation, internal temperature, and …
They offer control in terms of the mass, extent of solvation, internal temperature, and …
Resolving ultrafast photoinduced deactivations in water-solvated pyrimidine nucleosides
For the first time, ultrafast deactivations of photoexcited water-solvated pyrimidine
nucleosides are mapped employing hybrid QM (CASPT2)/MM (AMBER) optimizations that …
nucleosides are mapped employing hybrid QM (CASPT2)/MM (AMBER) optimizations that …
Unravelling the photoprotective mechanisms of nature-inspired ultraviolet filters using ultrafast spectroscopy
There are several drawbacks with the current commercially available ultraviolet (UV) filters
used in sunscreen formulations, namely deleterious human and ecotoxic effects. As a result …
used in sunscreen formulations, namely deleterious human and ecotoxic effects. As a result …