Free energies of proton-coupled electron transfer reagents and their applications

RG Agarwal, SC Coste, BD Groff, AM Heuer… - Chemical …, 2021 - ACS Publications
We present an update and revision to our 2010 review on the topic of proton-coupled
electron transfer (PCET) reagent thermochemistry. Over the past decade, the data and …

Design and structural characterisation of monomeric water-soluble α-helix and β-hairpin peptides: State-of-the-art

P Morales, MA Jiménez - Archives of biochemistry and biophysics, 2019 - Elsevier
Peptides are not only useful models for the structural understanding of protein folding and
stability but also provide promising therapeutic avenues for the treatment of numerous …

Proton transfer kinetics in histidine side chains determined by pH-dependent multi-nuclear NMR relaxation

HN Raum, K Modig, M Akke… - Journal of the American …, 2024 - ACS Publications
Histidine is a key amino-acid residue in proteins with unique properties engendered by its
imidazole side chain that can exist in three different states: two different neutral tautomeric …

Proton-coupled electron transfer in a strongly coupled photosystem II-inspired chromophore–imidazole–phenol complex: stepwise oxidation and concerted reduction

GF Manbeck, E Fujita… - Journal of the American …, 2016 - ACS Publications
Proton-coupled electron transfer (PCET) reactions were studied in acetonitrile for a
Photosystem II (PSII)-inspired [Ru (bpy) 2 (phen-imidazole-Ph (OH)(t Bu) 2)] 2+, in which Ru …

Origins of the diffuse shared proton vibrational signatures in proton-coupled electron transfer model dyad complexes

L Chen, Z Ma, JA Fournier - The Journal of Chemical Physics, 2022 - pubs.aip.org
Phenol-benzimidazole and phenol-pyridine dyad complexes have served as popular model
systems for the study of proton-coupled electron transfer (PCET) kinetics in solution-phase …

Unraveling the Vibrational Spectral Signatures of a Dislocated H Atom in Model Proton-Coupled Electron Transfer Dyad Systems

L Chen, EL Sibert III, JA Fournier - The Journal of Physical …, 2023 - ACS Publications
Phenol–benzimidazole and phenol–pyridine proton-coupled electron transfer (PCET) dyad
systems are computationally investigated to resolve the origins of the asymmetrically …

Tuning radical relay residues by proton management rescues protein electron hopping

EF Yee, B Dzikovski, BR Crane - Journal of the American …, 2019 - ACS Publications
Transient tyrosine and tryptophan radicals play key roles in the electron transfer (ET)
reactions of photosystem (PS) II, ribonucleotide reductase (RNR), photolyase, and many …

Using porphyrin–amino acid pairs to model the electrochemistry of heme proteins: experimental and theoretical investigations

RN Samajdar, D Manogaran, S Yashonath… - Physical Chemistry …, 2018 - pubs.rsc.org
Quasi reversibility in electrochemical cycling between different oxidation states of iron is an
often seen characteristic of iron containing heme proteins that bind dioxygen. Surprisingly …

Role of chirality in photoinduced electron transfer in pentapeptide (L)-His-(L/D)-Asp-(L/D)-Ser-Gly-(L) Tyr in solutions

IM Magin, RS Lukyanov, AA Ageeva, AI Kruppa… - … of Photochemistry and …, 2025 - Elsevier
Factors governing electron transfer (ET) in proteins and peptides are widely studied due to
the role of ET in biologically important processes. One of them is the influence of the optical …

Improving artificial metalloenzymes' activity by optimizing electron transfer

C Hu, Y Yu, J Wang - Chemical Communications, 2017 - pubs.rsc.org
While many artificial metalloenzymes have been reported, and are proposed to be highly
promising for energy, environmental and medical applications, few could match the turnover …