From the 1 of 4 linked papers with an AI index.
4 papers
Canonically consistent quantum master equation for proton-transfer reactions
Zahra Sartipi, Richard Gundermann, Janet Anders +1
The paper uses the canonically consistent quantum master equation to model intramolecular proton transfer in thioacetylacetone, benchmarking its population dynamics against hierarc…
Coherent vibrational wave packet motion in ErCry4a proteins monitors the redox state of the flavin chromophore
Krishan Kumar, Daniel Timmer, Maryam Khazani +8
Cryptochromes are blue-light-sensitive flavoproteins that play central roles in biological function. In European robin (Erithacus rubecula) ErCry4a proteins, optical excitation of…
Nonadiabatic couplings drive ultrafast, mode-selective intramolecular vibrational energy redistribution in flavins
Daniel Timmer, Krishan Kumar, Jan P. Götze +3
Flavins are the chromophores in several blue-light-sensitive photoreceptor proteins and act as redox cofactors in many enzymes relevant for biological processes. Despite their biol…
Valence photoelectron spectra of thiouracils in the gas phase
Dennis Mayer, Evgenii Titov, Fabiano Lever +6
We present a combined experimental and theoretical study of the vibrationally resolved valence photoelectron spectra of the complete series of thiouracils (2-thiouracil, 4-thiourac…