Probing Hydrogen-Bonding Interactions within Phenol-Benzimidazole Proton-Coupled Electron Transfer Model Complexes with Cryogenic Ion Vibrational Spectroscopy

2021 ◽  
Author(s):  
Liangyi Chen ◽  
Joseph A. Fournier
Keyword(s):  
Electron Transfer ◽  
Hydrogen Bonding ◽  
Vibrational Spectroscopy ◽  
Transfer Model ◽  
Model Complexes ◽  
Proton Coupled Electron Transfer ◽  
Hydrogen Bonding Interactions

scholarly journals Visualizing the protons in a metalloenzyme electron proton transfer pathway

2020 ◽  
Vol 117 (12) ◽  
pp. 6484-6490 ◽  
Author(s):  
Hanna Kwon ◽  
Jaswir Basran ◽  
Juliette M. Devos ◽  
Reynier Suardíaz ◽  
Marc W. van der Kamp ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electron Transfer ◽  
Hydrogen Bonding ◽  
Proton Transfer ◽  
Proton Donor ◽  
Biological Processes ◽  
Proton Coupled Electron Transfer ◽  
Neutron Structure ◽  
Bona Fide ◽  
Electron Proton Transfer

In redox metalloenzymes, the process of electron transfer often involves the concerted movement of a proton. These processes are referred to as proton-coupled electron transfer, and they underpin a wide variety of biological processes, including respiration, energy conversion, photosynthesis, and metalloenzyme catalysis. The mechanisms of proton delivery are incompletely understood, in part due to an absence of information on exact proton locations and hydrogen bonding structures in a bona fide metalloenzyme proton pathway. Here, we present a 2.1-Å neutron crystal structure of the complex formed between a redox metalloenzyme (ascorbate peroxidase) and its reducing substrate (ascorbate). In the neutron structure of the complex, the protonation states of the electron/proton donor (ascorbate) and all of the residues involved in the electron/proton transfer pathway are directly observed. This information sheds light on possible proton movements during heme-catalyzed oxygen activation, as well as on ascorbate oxidation.

scholarly journals Probing Hydrogen Bonding Interactions to Iron‐Oxido/Hydroxido Units by 57 Fe Nuclear Resonance Vibrational Spectroscopy

2018 ◽  
Vol 130 (49) ◽  
pp. 16242-16246
Author(s):  
Andrew C. Weitz ◽  
Ethan A. Hill ◽  
Victoria F. Oswald ◽  
Emile L. Bominaar ◽  
Andrew S. Borovik ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Vibrational Spectroscopy ◽  
Nuclear Resonance ◽  
Nuclear Resonance Vibrational Spectroscopy ◽  
Hydrogen Bonding Interactions

Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective

2019 ◽  
Vol 21 (17) ◽  
pp. 8721-8728 ◽  
Author(s):  
Jun Chai ◽  
Zhaoyang Zheng ◽  
Hui Pan ◽  
Shengbai Zhang ◽  
K. V. Lakshmi ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Hydrogen Bonding ◽  
Quantum Mechanics ◽  
Photosystem Ii ◽  
Transfer Reactions ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Electron Transfer Reactions ◽  
Proton Coupled Electron Transfer ◽  
Hydrogen Bonding Networks

All quantum-mechanical calculations provide insights into the effect of the hydrogen bonding network on the proton-coupled electron transfer at YZ and YD in photosystem II.

scholarly journals Hydrogen bond assisted photoinduced intramolecular electron transfer and proton coupled electron transfer in an ultrafast time domain using a ruthenium-anthraquinone dyad

2019 ◽  
Vol 18 (10) ◽  
pp. 2430-2441 ◽  
Author(s):  
Ananta Dey ◽  
Jayanta Dana ◽  
Sunil Aute ◽  
Amitava Das ◽  
Hirendra N. Ghosh
Keyword(s):  
Hydrogen Bond ◽  
Electron Transfer ◽  
Hydrogen Bonding ◽  
Time Domain ◽  
Transient Absorption ◽  
Transient Absorption Spectroscopy ◽  
Intramolecular Electron Transfer ◽  
Proton Coupled Electron Transfer ◽  
Femtosecond Transient Absorption ◽  
Femtosecond Transient Absorption Spectroscopy

PCET kinetics for the formation of charge-separated states was explored by using femtosecond transient absorption spectroscopy. Hydrogen bonding between water and the reduced anthraquinone accounted for thermodynamic and kinetic stabilization.

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