Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II

M Capone, A Sirohiwal, M Aschi… - Angewandte Chemie …, 2023 - Wiley Online Library
Photosystem‐II (PSII) is a multi‐subunit protein complex that harvests sunlight to perform
oxygenic photosynthesis. Initial light‐activated charge separation takes place at a reaction …

Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases

M Capone, G Dell'Orletta, BT Nicholls, GD Scholes… - ACS …, 2023 - ACS Publications
We demonstrate here through molecular simulations and mutational studies the origin of the
enantioselectivity in the photoinduced radical cyclization of α-chloroacetamides catalyzed by …

Ultrafast dynamics and catalytic mechanism of fatty acid photodecarboxylase

R Wu, X Li, L Wang, D Zhong - … Chemie International Edition, 2022 - Wiley Online Library
Fatty acid photodecarboxylase is a newly discovered flavin photoenzyme that converts a
carboxylic acid into a hydrocarbon and a carbon dioxide molecule through decarboxylation …

Ultrafast photooxidation of protein-bound anionic flavin radicals

B Zhuang, R Ramodiharilafy, U Liebl… - Proceedings of the …, 2022 - National Acad Sciences
The photophysical properties of anionic semireduced flavin radicals are largely unknown
despite their importance in numerous biochemical reactions. Here, we studied the …

Tuning proton transfer thermodynamics in SARS-CoV-2 main protease: implications for catalysis and inhibitor design

L Zanetti-Polzi, MD Smith, C Chipot… - The journal of …, 2021 - ACS Publications
The catalytic reaction in SARS-CoV-2 main protease is activated by a proton transfer (PT)
from Cys145 to His41. The same PT is likely also required for the covalent binding of some …

Photoinduced hole hop** through tryptophans in proteins

S Záliš, J Heyda, F Šebesta… - Proceedings of the …, 2021 - National Acad Sciences
Hole hop** through tryptophan/tyrosine chains enables rapid unidirectional charge
transport over long distances. We have elucidated structural and dynamical factors …

Characterization of Light-Induced, Short-Lived Interacting Radicals in the Active Site of Flavoprotein Ferredoxin-NADP+ Oxidoreductase

B Zhuang, D Seo, A Aleksandrov… - Journal of the American …, 2021 - ACS Publications
Radicals of flavin adenine dinucleotide (FAD), as well as tyrosine and tryptophan, are widely
involved as key reactive intermediates during electron-transfer (ET) reactions in …

Contribution Factors of the First Kind Calculated for the Marcus Electron-Transfer Rate and Their Applications

K Mishima, N Kano - The Journal of Physical Chemistry B, 2023 - ACS Publications
In this study, we applied the concept of the “contribution factor of the first kind (CFFK)” to the
original electron-transfer (ET) rate theory proposed by Marcus. Mathematical derivations …

Effects of nonequilibrium fluctuations on ultrafast short-range electron transfer dynamics

Y Lu, M Kundu, D Zhong - Nature Communications, 2020 - nature.com
A variety of electron transfer (ET) reactions in biological systems occurs at short distances
and is ultrafast. Many of them show behaviors that deviate from the predictions of the classic …

Ultrafast dynamics of nonequilibrium short-range electron transfer in semiquinone flavodoxin

J Yang, Y Zhang, Y Lu, L Wang, F Lu… - The Journal of Physical …, 2022 - ACS Publications
Short-range protein electron transfer (ET) is crucially important in light-induced biological
processes such as in photoenzymes and photoreceptors and often occurs on time scales …