Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective
Abstract
All quantum-mechanical calculations provide insights into the effect of the hydrogen bonding network on the proton-coupled electron transfer at Y Z and Y D in photosystem II.
- Authors:
-
- State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 201899, China
- National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China
- Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, China
- Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, USA
- Department of Chemistry and Chemical Biology and The Baruch ’60 Center for Biochemical Solar Energy Research, Rensselaer Polytechnic Institute, Troy, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1506134
- Grant/Contract Number:
- FG02-07ER15903
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP (Print)
- Additional Journal Information:
- Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 21 Journal Issue: 17; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry (RSC)
- Country of Publication:
- United Kingdom
- Language:
- English
Citation Formats
Chai, Jun, Zheng, Zhaoyang, Pan, Hui, Zhang, Shengbai, Lakshmi, K. V., and Sun, Yi-Yang. Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective. United Kingdom: N. p., 2019.
Web. doi:10.1039/C9CP00868C.
Chai, Jun, Zheng, Zhaoyang, Pan, Hui, Zhang, Shengbai, Lakshmi, K. V., & Sun, Yi-Yang. Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective. United Kingdom. doi:10.1039/C9CP00868C.
Chai, Jun, Zheng, Zhaoyang, Pan, Hui, Zhang, Shengbai, Lakshmi, K. V., and Sun, Yi-Yang. Wed .
"Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective". United Kingdom. doi:10.1039/C9CP00868C.
@article{osti_1506134,
title = {Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective},
author = {Chai, Jun and Zheng, Zhaoyang and Pan, Hui and Zhang, Shengbai and Lakshmi, K. V. and Sun, Yi-Yang},
abstractNote = {All quantum-mechanical calculations provide insights into the effect of the hydrogen bonding network on the proton-coupled electron transfer at Y Z and Y D in photosystem II.},
doi = {10.1039/C9CP00868C},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 17,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {4}
}
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9CP00868C
DOI: 10.1039/C9CP00868C
Other availability
Cited by: 1 work
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
The Artificial Leaf
journal, January 2012
- Nocera, Daniel G.
- Accounts of Chemical Research, Vol. 45, Issue 5
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
X-ray Spectroscopic Characterization of Co(IV) and Metal–Metal Interactions in Co 4 O 4 : Electronic Structure Contributions to the Formation of High-Valent States Relevant to the Oxygen Evolution Reaction
journal, August 2016
- Hadt, Ryan G.; Hayes, Dugan; Brodsky, Casey N.
- Journal of the American Chemical Society, Vol. 138, Issue 34
In the oxygen-evolving complex of photosystem II the S0 state is oxidized to the S1 state by D+ (signal IIslow)
journal, May 1987
- Styring, Stenbjoern; Rutherford, A. William
- Biochemistry, Vol. 26, Issue 9
Structural Dynamics of the Oxygen-Evolving Complex of Photosystem II in Water-Splitting Action
journal, April 2018
- Wilson, Andrew J.; Jain, Prashant K.
- Journal of the American Chemical Society, Vol. 140, Issue 17
Cyanobacterial photosystem II at 2.9-Å resolution and the role of quinones, lipids, channels and chloride
journal, February 2009
- Guskov, Albert; Kern, Jan; Gabdulkhakov, Azat
- Nature Structural & Molecular Biology, Vol. 16, Issue 3
Water-Splitting Chemistry of Photosystem II
journal, November 2006
- McEvoy, James P.; Brudvig, Gary W.
- Chemical Reviews, Vol. 106, Issue 11
Inorganic Materials as Catalysts for Photochemical Splitting of Water
journal, January 2008
- Osterloh, Frank E.
- Chemistry of Materials, Vol. 20, Issue 1
Mechanism of tyrosine D oxidation in Photosystem II
journal, April 2013
- Saito, K.; Rutherford, A. W.; Ishikita, H.
- Proceedings of the National Academy of Sciences, Vol. 110, Issue 19
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Microsolvation of the Redox-Active Tyrosine-D in Photosystem II: Correlation of Energetics with EPR Spectroscopy and Oxidation-Induced Proton Transfer
journal, January 2019
- Sirohiwal, Abhishek; Neese, Frank; Pantazis, Dimitrios A.
- Journal of the American Chemical Society, Vol. 141, Issue 7
Proton-Coupled Electron Transfer from Tyrosine: A Strong Rate Dependence on Intramolecular Proton Transfer Distance
journal, August 2011
- Zhang, Ming-Tian; Irebo, Tania; Johansson, Olof
- Journal of the American Chemical Society, Vol. 133, Issue 34
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
- Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
- Physical Review B, Vol. 57, Issue 3, p. 1505-1509
Mechanism of photosynthetic water oxidation: combining biophysical studies of photosystem II with inorganic model chemistry
journal, January 2001
- Vrettos, John S.; Limburg, Julian; Brudvig, Gary W.
- Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1503, Issue 1-2
Proton-Coupled Electron Transfer
journal, November 2007
- Huynh, My Hang V.; Meyer, Thomas J.
- Chemical Reviews, Vol. 107, Issue 11
Crystal structure of oxygen-evolving photosystem II from Thermosynechococcus vulcanus at 3.7-A resolution
journal, December 2002
- Kamiya, N.; Shen, J. -R.
- Proceedings of the National Academy of Sciences, Vol. 100, Issue 1
Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å
journal, April 2011
- Umena, Yasufumi; Kawakami, Keisuke; Shen, Jian-Ren
- Nature, Vol. 473, Issue 7345
Function of Tyrosine Z in Water Oxidation by Photosystem II: Electrostatical Promotor Instead of Hydrogen Abstractor †
journal, January 1998
- Ahlbrink, Ralf; Haumann, Michael; Cherepanov, Dmitry
- Biochemistry, Vol. 37, Issue 4
Short Hydrogen Bond between Redox-Active Tyrosine Y Z and D1-His190 in the Photosystem II Crystal Structure
journal, November 2011
- Saito, Keisuke; Shen, Jian-Ren; Ishida, Toyokazu
- Biochemistry, Vol. 50, Issue 45
Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation 1 1Edited by J. Thornton
journal, January 1999
- Word, J. Michael; Lovell, Simon C.; Richardson, Jane S.
- Journal of Molecular Biology, Vol. 285, Issue 4
A bioinspired soluble manganese cluster as a water oxidation electrocatalyst with low overpotential
journal, November 2017
- Maayan, Galia; Gluz, Naama; Christou, George
- Nature Catalysis, Vol. 1, Issue 1
S TRUCTURE , D YNAMICS , AND E NERGETICS OF THE P RIMARY P HOTOCHEMISTRY OF P HOTOSYSTEM II OF O XYGENIC P HOTOSYNTHESIS
journal, June 2002
- Diner, Bruce A.; Rappaport, Fabrice
- Annual Review of Plant Biology, Vol. 53, Issue 1
Rapid formation of the stable tyrosyl radical in photosystem II
journal, November 2001
- Faller, P.; Debus, R. J.; Brettel, K.
- Proceedings of the National Academy of Sciences, Vol. 98, Issue 25
The Possible Role of Proton-Coupled Electron Transfer (PCET) in Water Oxidation by Photosystem II
journal, July 2007
- Meyer, Thomas J.; Huynh, My Hang V.; Thorp, H. Holden
- Angewandte Chemie International Edition, Vol. 46, Issue 28
The Structure of Photosystem II and the Mechanism of Water Oxidation in Photosynthesis
journal, April 2015
- Shen, Jian-Ren
- Annual Review of Plant Biology, Vol. 66, Issue 1
Solar Fuels via Artificial Photosynthesis
journal, December 2009
- Gust, Devens; Moore, Thomas A.; Moore, Ana L.
- Accounts of Chemical Research, Vol. 42, Issue 12
Architecture of the Photosynthetic Oxygen-Evolving Center
journal, March 2004
- Ferreira, K. N.
- Science, Vol. 303, Issue 5665
Manganese Compounds as Water-Oxidizing Catalysts: From the Natural Water-Oxidizing Complex to Nanosized Manganese Oxide Structures
journal, January 2016
- Najafpour, Mohammad Mahdi; Renger, Gernot; Hołyńska, Małgorzata
- Chemical Reviews, Vol. 116, Issue 5
Structure of photosystem II and substrate binding at room temperature
journal, November 2016
- Young, Iris D.; Ibrahim, Mohamed; Chatterjee, Ruchira
- Nature, Vol. 540, Issue 7633
Two Redox-Active β-Carotene Molecules in Photosystem II †
journal, August 2003
- Tracewell, Cara A.; Brudvig, Gary W.
- Biochemistry, Vol. 42, Issue 30
High-Frequency Electron Nuclear Double-Resonance Spectroscopy Studies of the Mechanism of Proton-Coupled Electron Transfer at the Tyrosine-D Residue of Photosystem II
journal, July 2013
- Chatterjee, Ruchira; Coates, Christopher S.; Milikisiyants, Sergey
- Biochemistry, Vol. 52, Issue 28
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Mn 4 Ca Cluster in Photosynthesis: Where and How Water is Oxidized to Dioxygen
journal, March 2014
- Yano, Junko; Yachandra, Vittal
- Chemical Reviews, Vol. 114, Issue 8
Native structure of photosystem II at 1.95 Å resolution viewed by femtosecond X-ray pulses
journal, November 2014
- Suga, Michihiro; Akita, Fusamichi; Hirata, Kunio
- Nature, Vol. 517, Issue 7532
Structure-based mechanism of photosynthetic water oxidation
journal, January 2004
- McEvoy, James P.; Brudvig, Gary W.
- Physical Chemistry Chemical Physics, Vol. 6, Issue 20
Controlling Proton-Coupled Electron Transfer in Bioinspired Artificial Photosynthetic Relays
journal, October 2018
- Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.
- Journal of the American Chemical Society, Vol. 140, Issue 45
Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL
journal, February 2017
- Suga, Michihiro; Akita, Fusamichi; Sugahara, Michihiro
- Nature, Vol. 543, Issue 7643
Reduction-Induced Inhibition and Mn(II) Release from the Photosystem II Oxygen-Evolving Complex by Hydroquinone or NH 2 OH Are Consistent with a Mn(III)/Mn(III)/Mn(IV)/Mn(IV) Oxidation State for the Dark-Adapted Enzyme †
journal, February 2005
- Kuntzleman, Thomas; Yocum, Charles F.
- Biochemistry, Vol. 44, Issue 6
Free radicals under control
journal, April 2014
- Barry, Bridgette A.
- Nature Chemistry, Vol. 6, Issue 5
Structure of the catalytic, inorganic core of oxygen-evolving photosystem II at 1.9Å resolution
journal, July 2011
- Kawakami, Keisuke; Umena, Yasufumi; Kamiya, Nobuo
- Journal of Photochemistry and Photobiology B: Biology, Vol. 104, Issue 1-2
First-principles calculations for point defects in solids
journal, March 2014
- Freysoldt, Christoph; Grabowski, Blazej; Hickel, Tilmann
- Reviews of Modern Physics, Vol. 86, Issue 1
Biochemistry and Theory of Proton-Coupled Electron Transfer
journal, January 2014
- Migliore, Agostino; Polizzi, Nicholas F.; Therien, Michael J.
- Chemical Reviews, Vol. 114, Issue 7
Quantum design of photosynthesis for bio-inspired solar-energy conversion
journal, March 2017
- Romero, Elisabet; Novoderezhkin, Vladimir I.; van Grondelle, Rienk
- Nature, Vol. 543, Issue 7645
The stable tyrosyl radical in Photosystem II: why D?
journal, April 2004
- Rutherford, A. William; Boussac, Alain; Faller, Peter
- Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1655
Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
journal, February 2013
- Koua, F. H. M.; Umena, Y.; Kawakami, K.
- Proceedings of the National Academy of Sciences, Vol. 110, Issue 10
Two tyrosines that changed the world: Interfacing the oxidizing power of photochemistry to water splitting in photosystem II
journal, January 2012
- Styring, Stenbjörn; Sjöholm, Johannes; Mamedov, Fikret
- Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1817, Issue 1
A synthetic Mn4Ca-cluster mimicking the oxygen-evolving center of photosynthesis
journal, May 2015
- Zhang, C.; Chen, C.; Dong, H.
- Science, Vol. 348, Issue 6235
Infrared Detection of a Proton Released from Tyrosine Y D to the Bulk upon Its Photo-oxidation in Photosystem II
journal, August 2015
- Nakamura, Shin; Noguchi, Takumi
- Biochemistry, Vol. 54, Issue 32
A bioinspired redox relay that mimics radical interactions of the Tyr–His pairs of photosystem II
journal, February 2014
- Megiatto Jr, Jackson D.; Méndez-Hernández, Dalvin D.; Tejeda-Ferrari, Marely E.
- Nature Chemistry, Vol. 6, Issue 5
Bias-free photoelectrochemical water splitting with photosystem II on a dye-sensitized photoanode wired to hydrogenase
journal, September 2018
- Sokol, Katarzyna P.; Robinson, William E.; Warnan, Julien
- Nature Energy, Vol. 3, Issue 11
Photosynthetic energy conversion: natural and artificial
journal, January 2009
- Barber, James
- Chem. Soc. Rev., Vol. 38, Issue 1
Screened Coulomb interactions of localized electrons in transition metals and transition-metal oxides
journal, October 2012
- Shih, Bi-Ching; Abtew, Tesfaye A.; Yuan, Xun
- Physical Review B, Vol. 86, Issue 16
Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution
journal, February 2001
- Zouni, Athina; Witt, Horst-Tobias; Kern, Jan
- Nature, Vol. 409, Issue 6821
Structures of the intermediates of Kok’s photosynthetic water oxidation clock
journal, November 2018
- Kern, Jan; Chatterjee, Ruchira; Young, Iris D.
- Nature, Vol. 563, Issue 7731
Spectroscopic Evidence for the Symmetric Location of Tyrosines D and Z in Photosystem II.
journal, March 1995
- Koulougliotis, Dionysios; Tang, Xiao-Song; Diner, Bruce A.
- Biochemistry, Vol. 34, Issue 9