Publications within Biophysical and Bioinorganic Chemistry

Alternative Mechanism for O₂ Formation in Natural Photosynthesis via Nucleophilic Oxo-Oxo Coupling.

Guo, Yu; Messinger, Johannes; Kloo, Lars; Sun, Licheng

Part of Journal of the American Chemical Society, 2023.

DOI for Alternative Mechanism for O₂ Formation in Natural Photosynthesis via Nucleophilic Oxo-Oxo Coupling.

Capturing the sequence of events during the water oxidation reaction in photosynthesis using XFELs

Simon, Philipp S.; Makita, Hiroki; Bogacz, Isabel; Fuller, Franklin et al.

Part of FEBS Letters, p. 30-37, 2023.

DOI for Capturing the sequence of events during the water oxidation reaction in photosynthesis using XFELs

Electrode Integration of Synthetic Hydrogenase as Bioinspired and Noble Metal-Free Cathodes for Hydrogen Evolution

Zamader, Afridi; Reuillard, Bertrand; Marcasuzaa, Pierre; Bousquet, Antoine et al.

Part of ACS Catalysis, p. 1246-1256, 2023.

DOI for Electrode Integration of Synthetic Hydrogenase as Bioinspired and Noble Metal-Free Cathodes for Hydrogen Evolution

Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy

Ablyasova, Olesya S.; Guo, Meiyuan; Zamudio-Bayer, Vicente; Kubin, Markus et al.

Part of Journal of Physical Chemistry A, p. 7121-7131, 2023.

DOI for Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy

Elucidating Electron Transfer Kinetics and Optimizing System Performance for Escherichia coli-Based Semi-Artificial H-2 Production

Gamache, Mira T.; Charaf, Rima; Kurth, Larissa; Filmon, Dawit T. et al.

Part of ACS Catalysis, p. 9476-9486, 2023.

DOI for Elucidating Electron Transfer Kinetics and Optimizing System Performance for Escherichia coli-Based Semi-Artificial H-2 Production Download full text (pdf) of Elucidating Electron Transfer Kinetics and Optimizing System Performance for Escherichia coli-Based Semi-Artificial H-2 Production

Evolutionary diversity of proton and water channels on the oxidizing side of photosystem II and their relevance to function

Hussein, Rana; Ibrahim, Mohamed; Bhowmick, Asmit; Simon, Philipp S. et al.

Part of Photosynthesis Research, 2023.

DOI for Evolutionary diversity of proton and water channels on the oxidizing side of photosystem II and their relevance to function

Far-red photosynthesis: Two charge separation pathways exist in plant Photosystem II reaction center

Pavlou, Andrea; Mokvist, Fredrik; Styring, Stenbjörn; Mamedov, Fikret

Part of Biochimica et Biophysica Acta - Bioenergetics, 2023.

DOI for Far-red photosynthesis: Two charge separation pathways exist in plant Photosystem II reaction center

Flavodiiron-mediated O-2 photoreduction at photosystem I acceptor-side provides photoprotection to conifer thylakoids in early spring

Bag, Pushan; Shutova, Tatyana; Shevela, Dmitry; Lihavainen, Jenna et al.

Part of Nature Communications, 2023.

DOI for Flavodiiron-mediated O-2 photoreduction at photosystem I acceptor-side provides photoprotection to conifer thylakoids in early spring Download full text (pdf) of Flavodiiron-mediated O-2 photoreduction at photosystem I acceptor-side provides photoprotection to conifer thylakoids in early spring

Novel concepts and engineering strategies for heterologous expression of efficient hydrogenases in photosynthetic microorganisms

Schumann, Conrad; Fernandez Mendez, Jorge; Berggren, Gustav; Lindblad, Peter

Part of Frontiers in Microbiology, 2023.

DOI for Novel concepts and engineering strategies for heterologous expression of efficient hydrogenases in photosynthetic microorganisms Download full text (pdf) of Novel concepts and engineering strategies for heterologous expression of efficient hydrogenases in photosynthetic microorganisms

Probing Substrate Transport Effects on Enzymatic Hydrogen Catalysis: An Alternative Proton Transfer Pathway in Putatively Sensory [FeFe] Hydrogenase

Cabotaje, Princess R.; Walter, Kaija; Zamader, Afridi; Huang, Ping et al.

Part of ACS Catalysis, p. 10435-10446, 2023.

DOI for Probing Substrate Transport Effects on Enzymatic Hydrogen Catalysis: An Alternative Proton Transfer Pathway in Putatively Sensory [FeFe] Hydrogenase Download full text (pdf) of Probing Substrate Transport Effects on Enzymatic Hydrogen Catalysis: An Alternative Proton Transfer Pathway in Putatively Sensory [FeFe] Hydrogenase

Sensitivity of K beta mainline X-ray emission to structural dynamics in iron photosensitizer

Rogvall, Johanna; Singh, Roshan; Vacher, Morgane; Lundberg, Marcus

Part of Physical Chemistry, Chemical Physics - PCCP, p. 10447-10459, 2023.

DOI for Sensitivity of K beta mainline X-ray emission to structural dynamics in iron photosensitizer Download full text (pdf) of Sensitivity of K beta mainline X-ray emission to structural dynamics in iron photosensitizer

Solar energy conversion by photosystem II: principles and structures

Shevela, Dmitry; Kern, Jan F.; Govindjee, Govindjee; Messinger, Johannes

Part of Photosynthesis Research, p. 279-307, 2023.

DOI for Solar energy conversion by photosystem II: principles and structures Download full text (pdf) of Solar energy conversion by photosystem II: principles and structures

Structural evidence for intermediates during O₂ formation in photosystem II

Bhowmick, Asmit; Hussein, Rana; Bogacz, Isabel; Simon, Philipp S. et al.

Part of Nature, p. 629-636, 2023.

DOI for Structural evidence for intermediates during O₂ formation in photosystem II Download full text (pdf) of Structural evidence for intermediates during O₂ formation in photosystem II

Synthetic styrene-based bioinspired model of the [FeFe]-hydrogenase active site for electrocatalytic hydrogen evolution

Zamader, Afridi; Reuillard, Bertrand; Billon, Laurent; Berggren, Gustav et al.

Part of Sustainable Energy & Fuels, p. 4967-4976, 2023.

DOI for Synthetic styrene-based bioinspired model of the [FeFe]-hydrogenase active site for electrocatalytic hydrogen evolution Download full text (pdf) of Synthetic styrene-based bioinspired model of the [FeFe]-hydrogenase active site for electrocatalytic hydrogen evolution

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

Li Manni, Giovanni; Fernández Galván, Ignacio; Alavi, Ali; Aleotti, Flavia et al.

Part of Journal of Chemical Theory and Computation, p. 6933-6991, 2023.

DOI for The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

Approaching the Attosecond Frontier of Dynamics in Matter with the Concept of X-ray Chronoscopy

Blachucki, Wojciech; Wach, Anna; Czapla-Masztafiak, Joanna; Delcey, Mickael et al.

Part of Applied Sciences, 2022.

DOI for Approaching the Attosecond Frontier of Dynamics in Matter with the Concept of X-ray Chronoscopy Download full text (pdf) of Approaching the Attosecond Frontier of Dynamics in Matter with the Concept of X-ray Chronoscopy

Hydride state accumulation in native [FeFe]-hydrogenase with the physiological reductant H-2 supports its catalytic relevance

Senger, Moritz; Kernmayr, Tobias; Lorenzi, Marco; Redman, Holly J. et al.

Part of Chemical Communications, p. 7184-7187, 2022.

DOI for Hydride state accumulation in native [FeFe]-hydrogenase with the physiological reductant H-2 supports its catalytic relevance Download full text (pdf) of Hydride state accumulation in native [FeFe]-hydrogenase with the physiological reductant H-2 supports its catalytic relevance

Investigating the role of the strong field ligands in [FeFe] hydrogenase: spectroscopic and functional characterization of a semi-synthetic mono-cyanide active site

Lorenzi, Marco; Gellett, Joe; Zamader, Afridi; Senger, Moritz et al.

Part of Chemical Science, p. 11058-11064, 2022.

DOI for Investigating the role of the strong field ligands in [FeFe] hydrogenase: spectroscopic and functional characterization of a semi-synthetic mono-cyanide active site Download full text (pdf) of Investigating the role of the strong field ligands in [FeFe] hydrogenase: spectroscopic and functional characterization of a semi-synthetic mono-cyanide active site

Lewis acid protection turns cyanide containing [FeFe]-hydrogenase mimics into proton reduction catalysts

Redman, Holly J.; Huang, Ping; Haumann, Michael; Cheah, Mun Hon et al.

Part of Dalton Transactions, p. 4634-4643, 2022.

DOI for Lewis acid protection turns cyanide containing [FeFe]-hydrogenase mimics into proton reduction catalysts Download full text (pdf) of Lewis acid protection turns cyanide containing [FeFe]-hydrogenase mimics into proton reduction catalysts

Light-Driven [FeFe] Hydrogenase Based H-2 Production in E. coli: A Model Reaction for Exploring E. coli Based Semiartificial Photosynthetic Systems

Lorenzi, Marco; Gamache, Mira T.; Redman, Holly J.; Land, Henrik et al.

Part of ACS Sustainable Chemistry and Engineering, p. 10760-10767, 2022.

DOI for Light-Driven [FeFe] Hydrogenase Based H-2 Production in E. coli: A Model Reaction for Exploring E. coli Based Semiartificial Photosynthetic Systems Download full text (pdf) of Light-Driven [FeFe] Hydrogenase Based H-2 Production in E. coli: A Model Reaction for Exploring E. coli Based Semiartificial Photosynthetic Systems

Molecular basis for turnover inefficiencies (misses) during water oxidation in photosystem II

Han, Guangye; Chernev, Petko; Styring, Stenbjörn; Messinger, Johannes et al.

Part of Chemical Science, p. 8667-8678, 2022.

DOI for Molecular basis for turnover inefficiencies (misses) during water oxidation in photosystem II Download full text (pdf) of Molecular basis for turnover inefficiencies (misses) during water oxidation in photosystem II

Non‐Covalent Integration of a [FeFe]‐Hydrogenase Mimic to Multiwalled Carbon Nanotubes for Electrocatalytic Hydrogen Evolution

Zamader, Afridi; Reuillard, Bertrand; Pécaut, Jacques; Billon, Laurent et al.

Part of Chemistry - A European Journal, 2022.

DOI for Non‐Covalent Integration of a [FeFe]‐Hydrogenase Mimic to Multiwalled Carbon Nanotubes for Electrocatalytic Hydrogen Evolution Download full text (pdf) of Non‐Covalent Integration of a [FeFe]‐Hydrogenase Mimic to Multiwalled Carbon Nanotubes for Electrocatalytic Hydrogen Evolution

Polymer Dots as Photoactive Membrane Vesicles for [FeFe]-Hydrogenase Self-Assembly and Solar-Driven Hydrogen Evolution

Pavliuk, Mariia V.; Lorenzi, Marco; Morado, Dustin R.; Gedda, Lars et al.

Part of Journal of the American Chemical Society, p. 13600-13611, 2022.

DOI for Polymer Dots as Photoactive Membrane Vesicles for [FeFe]-Hydrogenase Self-Assembly and Solar-Driven Hydrogen Evolution Download full text (pdf) of Polymer Dots as Photoactive Membrane Vesicles for [FeFe]-Hydrogenase Self-Assembly and Solar-Driven Hydrogen Evolution

Reversible Structural Isomerization of Nature’s Water Oxidation Catalyst Prior to O–O Bond Formation

Guo, Yu; Messinger, Johannes; Kloo, Lars; Sun, Licheng

Part of Journal of the American Chemical Society, p. 11736-11747, 2022.

DOI for Reversible Structural Isomerization of Nature’s Water Oxidation Catalyst Prior to O–O Bond Formation Download full text (pdf) of Reversible Structural Isomerization of Nature’s Water Oxidation Catalyst Prior to O–O Bond Formation

Soft X-ray signatures of cationic manganese-oxo systems, including a high-spin manganese(v) complex

Delcey, Mickaël G.; Lindblad, Rebecka; Timm, Martin; Bülow, Christine et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 3598-3610, 2022.

DOI for Soft X-ray signatures of cationic manganese-oxo systems, including a high-spin manganese(v) complex Download full text (pdf) of Soft X-ray signatures of cationic manganese-oxo systems, including a high-spin manganese(v) complex

Stability of the H-cluster under whole-cell conditions—formation of an H_trans-like state and its reactivity towards oxygen

Lorenzi, Marco; Ceccaldi, Pierre; Rodríguez-Maciá, Patricia; Redman, Holly Jayne et al.

Part of Journal of Biological Inorganic Chemistry, p. 345-355, 2022.

DOI for Stability of the H-cluster under whole-cell conditions—formation of an H_trans-like state and its reactivity towards oxygen Download full text (pdf) of Stability of the H-cluster under whole-cell conditions—formation of an H_trans-like state and its reactivity towards oxygen

Towards time resolved characterization of electrochemical reactions: electrochemically-induced Raman spectroscopy

D'Amario, Luca; Stella, Maria Bruna; Edvinsson, Tomas; Persico, Maurizio et al.

Part of Chemical Science, p. 10734-10742, 2022.

DOI for Towards time resolved characterization of electrochemical reactions: electrochemically-induced Raman spectroscopy Download full text (pdf) of Towards time resolved characterization of electrochemical reactions: electrochemically-induced Raman spectroscopy

Two routes to hydrogen evolution for a Co-polypyridyl complex with two open sites

Toro, Liqin Xue; Kiriakidi, Sofia; Thapper, Anders; Ott, Sascha et al.

Part of Electronic Structure, 2022.

DOI for Two routes to hydrogen evolution for a Co-polypyridyl complex with two open sites Download full text (pdf) of Two routes to hydrogen evolution for a Co-polypyridyl complex with two open sites

Water Oxidation by Pentapyridyl Base Metal Complexes?: A Case Study

Boniolo, Manuel; Hossain, Md Kamal; Chernev, Petko; Suremann, Nina F. et al.

Part of Inorganic Chemistry, p. 9104-9118, 2022.

DOI for Water Oxidation by Pentapyridyl Base Metal Complexes?: A Case Study Download full text (pdf) of Water Oxidation by Pentapyridyl Base Metal Complexes?: A Case Study

2p x-ray absorption spectroscopy of 3d transition metal systems

de Groot, Frank M. F.; Elnaggar, Hebatalla; Frati, Federica; Wang, Ru-pan et al.

Part of Journal of Electron Spectroscopy and Related Phenomena, 2021.

DOI for 2p x-ray absorption spectroscopy of 3d transition metal systems Download full text (pdf) of 2p x-ray absorption spectroscopy of 3d transition metal systems

A conducting additive-free high potential quinone-based conducting redox polymer as lithium ion battery cathode

Wang, Huan; Emanuelsson, Rikard; Liu, Haidong; Mamedov, Fikret et al.

Part of Electrochimica Acta, 2021.

DOI for A conducting additive-free high potential quinone-based conducting redox polymer as lithium ion battery cathode

Clear evidence of binding of Ox to the oxygen-evolving complex of photosystem II is best observed in the omit map

Ibrahim, Mohamed; Moriarty, Nigel W.; Kern, Jan; Holton, James M. et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2021.

DOI for Clear evidence of binding of Ox to the oxygen-evolving complex of photosystem II is best observed in the omit map

Effect of 3d/4p Mixing on 1s2p Resonant Inelastic X-ray Scattering: Electronic Structure of Oxo-Bridged Iron Dimers

Kroll, Thomas; Baker, Michael L.; Wilson, Samuel A.; Lundberg, Marcus et al.

Part of Journal of the American Chemical Society, p. 4569-4584, 2021.

DOI for Effect of 3d/4p Mixing on 1s2p Resonant Inelastic X-ray Scattering: Electronic Structure of Oxo-Bridged Iron Dimers

Effects of x-ray free-electron laser pulse intensity on the Mn K beta(1,3) x-ray emission spectrum in photosystem II-A case study for metalloprotein crystals and solutions

Fransson, Thomas; Alonso-Mori, Roberto; Chatterjee, Ruchira; Cheah, Mun Hon et al.

Part of Structural Dynamics, 2021.

DOI for Effects of x-ray free-electron laser pulse intensity on the Mn K beta(1,3) x-ray emission spectrum in photosystem II-A case study for metalloprotein crystals and solutions Download full text (pdf) of Effects of x-ray free-electron laser pulse intensity on the Mn K beta(1,3) x-ray emission spectrum in photosystem II-A case study for metalloprotein crystals and solutions

Electrochemical N₂ reduction at ambient condition - Overcoming the selectivity issue via control of reactants' availabilities

Kwong, Wai Ling; Wagberg, Thomas; Messinger, Johannes

Part of International journal of hydrogen energy, p. 30366-30372, 2021.

DOI for Electrochemical N₂ reduction at ambient condition - Overcoming the selectivity issue via control of reactants' availabilities

Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework

Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A. et al.

Part of Dalton Transactions, p. 660-674, 2021.

DOI for Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework Download full text (pdf) of Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework

Photosynthetic hydrogen production: Novel protocols, promising engineering approaches and application of semi‐synthetic hydrogenases

Kosourov, Sergey; Böhm, Maximilian; Senger, Moritz; Berggren, Gustav et al.

Part of Physiologia Plantarum, p. 555-567, 2021.

DOI for Photosynthetic hydrogen production: Novel protocols, promising engineering approaches and application of semi‐synthetic hydrogenases Download full text (pdf) of Photosynthetic hydrogen production: Novel protocols, promising engineering approaches and application of semi‐synthetic hydrogenases

Reversible or Irreversible Catalysis of H⁺/H₂ Conversion by FeFe Hydrogenases

Fasano, Andrea; Land, Henrik; Fourmond, Vincent; Berggren, Gustav et al.

Part of Journal of the American Chemical Society, p. 20320-20325, 2021.

DOI for Reversible or Irreversible Catalysis of H⁺/H₂ Conversion by FeFe Hydrogenases

Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I

Keable, Stephen M.; Kölsch, Adrian; Simon, Philipp S.; Dasgupta, Medhanjali et al.

Part of Scientific Reports, 2021.

DOI for Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I Download full text (pdf) of Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I

Semisynthetic [FeFe]-hydrogenase with stable expression and H₂ production capacity in a photosynthetic microbe

Wegelius, Adam; Land, Henrik; Berggren, Gustav; Lindblad, Peter

Part of Cell Reports Physical Science, 2021.

DOI for Semisynthetic [FeFe]-hydrogenase with stable expression and H₂ production capacity in a photosynthetic microbe Download full text (pdf) of Semisynthetic [FeFe]-hydrogenase with stable expression and H₂ production capacity in a photosynthetic microbe

Semi-synthetic hydrogenases—in vitro and in vivo applications

Mészáros, Lívia S.; Land, Henrik; Redman, Holly J.; Berggren, Gustav

Part of Current Opinion in Green and Sustainable Chemistry, p. 100521-100521, 2021.

DOI for Semi-synthetic hydrogenases—in vitro and in vivo applications

Solar-Driven Water Splitting at 13.8% Solar-to-Hydrogen Efficiency by an Earth-Abundant Electrolyzer

Ekspong, Joakim; Larsen, Christian; Stenberg, Jonas; Kwong, Wai Ling et al.

Part of ACS Sustainable Chemistry and Engineering, p. 14070-14078, 2021.

DOI for Solar-Driven Water Splitting at 13.8% Solar-to-Hydrogen Efficiency by an Earth-Abundant Electrolyzer Download full text (pdf) of Solar-Driven Water Splitting at 13.8% Solar-to-Hydrogen Efficiency by an Earth-Abundant Electrolyzer

Structural dynamics in the water and proton channels of photosystem II during the S-2 to S-3 transition

Hussein, Rana; Ibrahim, Mohamed; Bhowmick, Asmit; Simon, Philipp S. et al.

Part of Nature Communications, 2021.

DOI for Structural dynamics in the water and proton channels of photosystem II during the S-2 to S-3 transition Download full text (pdf) of Structural dynamics in the water and proton channels of photosystem II during the S-2 to S-3 transition

The D1-V185N mutation alters substrate water exchange by stabilizing alternative structures of the Mn₄Ca-cluster in photosystem II

de Lichtenberg, Casper; Avramov, Anton P.; Zhang, Minquan; Mamedov, Fikret et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, 2021.

DOI for The D1-V185N mutation alters substrate water exchange by stabilizing alternative structures of the Mn₄Ca-cluster in photosystem II Download full text (pdf) of The D1-V185N mutation alters substrate water exchange by stabilizing alternative structures of the Mn₄Ca-cluster in photosystem II

The exchange of the fast substrate water in the S-2 state of photosystem II is limited by diffusion of bulk water through channels - implications for the water oxidation mechanism

de Lichtenberg, Casper; Kim, Christopher J; Chernev, Petko; Debus, Richard J et al.

Part of Chemical Science, p. 12763-12775, 2021.

DOI for The exchange of the fast substrate water in the S-2 state of photosystem II is limited by diffusion of bulk water through channels - implications for the water oxidation mechanism Download full text (pdf) of The exchange of the fast substrate water in the S-2 state of photosystem II is limited by diffusion of bulk water through channels - implications for the water oxidation mechanism

Upregulation of bundle sheath electron transport capacity under limiting light in C-4 Setaria viridis

Ermakova, Maria; Bellasio, Chandra; Fitzpatrick, Duncan; Furbank, Robert T. et al.

Part of The Plant Journal, p. 1443-1454, 2021.

DOI for Upregulation of bundle sheath electron transport capacity under limiting light in C-4 Setaria viridis Download full text (pdf) of Upregulation of bundle sheath electron transport capacity under limiting light in C-4 Setaria viridis

Assessment of the manganese cluster's oxidation state via photoactivation of photosystem II microcrystals

Cheah, Mun Hon; Zhang, Miao; Shevela, Dmitry; Mamedov, Fikret et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 141-145, 2020.

DOI for Assessment of the manganese cluster's oxidation state via photoactivation of photosystem II microcrystals

Bicarbonate-Mediated CO2 Formation on Both Sides of Photosystem II

Shevela, Dmitry; Do, Hoang-Nguyen; Fantuzzi, Andrea; Rutherford, A. William et al.

Part of Biochemistry, p. 2442-2449, 2020.

DOI for Bicarbonate-Mediated CO2 Formation on Both Sides of Photosystem II Download full text (pdf) of Bicarbonate-Mediated CO2 Formation on Both Sides of Photosystem II

Carbon Dots and [FeFe] Hydrogenase Biohybrid Assemblies for Efficient Light-Driven Hydrogen Evolution

Hola, Katerina; Pavliuk, Mariia V.; Nemeth, Brigitta; Huang, Ping et al.

Part of ACS Catalysis, p. 9943-9952, 2020.

DOI for Carbon Dots and [FeFe] Hydrogenase Biohybrid Assemblies for Efficient Light-Driven Hydrogen Evolution Download full text (pdf) of Carbon Dots and [FeFe] Hydrogenase Biohybrid Assemblies for Efficient Light-Driven Hydrogen Evolution

Characterization of a putative sensory [FeFe]-hydrogenase provides new insight into the role of the active site architecture

Land, Henrik; Sekretaryova, Alina N.; Huang, Ping; Redman, Holly J. et al.

Part of Chemical Science, p. 12789-12801, 2020.

DOI for Characterization of a putative sensory [FeFe]-hydrogenase provides new insight into the role of the active site architecture Download full text (pdf) of Characterization of a putative sensory [FeFe]-hydrogenase provides new insight into the role of the active site architecture

Current State of [FeFe]-Hydrogenase Research: Biodiversity and Spectroscopic Investigations

Land, Henrik; Senger, Moritz; Berggren, Gustav; Stripp, Sven T.

Part of ACS Catalysis, p. 7069-7086, 2020.

DOI for Current State of [FeFe]-Hydrogenase Research: Biodiversity and Spectroscopic Investigations

Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects

Delcey, Mickael G; Couto, Rafael Carvalho; Sorensen, Lasse Kragh; Fernández Galván, Ignacio et al.

Part of Journal of Chemical Physics, 2020.

DOI for Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects Download full text (pdf) of Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects

[FeFe]-hydrogenase maturation: H-cluster assembly intermediates tracked by electron paramagnetic resonance, infrared, and X-ray absorption spectroscopy

Németh, Brigitta; Senger, Moritz; Redman, Holly J.; Ceccaldi, Pierre et al.

Part of Journal of Biological Inorganic Chemistry, p. 777-788, 2020.

DOI for [FeFe]-hydrogenase maturation: H-cluster assembly intermediates tracked by electron paramagnetic resonance, infrared, and X-ray absorption spectroscopy Download full text (pdf) of [FeFe]-hydrogenase maturation: H-cluster assembly intermediates tracked by electron paramagnetic resonance, infrared, and X-ray absorption spectroscopy

Highly stable defective TiO2-x with tuned exposed facets induced by fluorine: Impact of surface and bulk properties on selective UV/visible alcohol photo-oxidation

Bellardita, Marianna; Garlisi, Corrado; Ozer, Lütfiye Yildiz; Venezia, Anna Maria et al.

Part of Applied Surface Science, 2020.

DOI for Highly stable defective TiO2-x with tuned exposed facets induced by fluorine: Impact of surface and bulk properties on selective UV/visible alcohol photo-oxidation

Modern quantum chemistry with [Open]Molcas

Aquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano et al.

Part of Journal of Chemical Physics, 2020.

DOI for Modern quantum chemistry with [Open]Molcas Download full text (pdf) of Modern quantum chemistry with [Open]Molcas

More than protection: the function of TiO2 interlayers in hematite functionalized Si photoanodes

Kawde, Anurag; Annamalai, Alagappan; Sellstedt, Anita; Uhlig, Jens et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 28459-28467, 2020.

DOI for More than protection: the function of TiO2 interlayers in hematite functionalized Si photoanodes Download full text (pdf) of More than protection: the function of TiO2 interlayers in hematite functionalized Si photoanodes

Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamics

Vacher, Morgane; Kunnus, Kristjan; Delcey, Mickael G; Gaffney, Kelly J. et al.

Part of Structural Dynamics, 2020.

DOI for Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamics Download full text (pdf) of Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamics

PSB33 protein sustains photosystem II in plant chloroplasts under UV-A light

Nilsson, Anders K.; Pencik, Ales; Johansson, Oskar N.; Bankestad, Daniel et al.

Part of Journal of Experimental Botany, p. 7210-7223, 2020.

DOI for PSB33 protein sustains photosystem II in plant chloroplasts under UV-A light

Quantifying similarity for spectra with a large number of overlapping transitions: Examples from soft X-ray spectroscopy

Källman, Erik; Delcey, Mickael G; Guo, Meiyuan; Lindh, Roland et al.

Part of Chemical Physics, 2020.

DOI for Quantifying similarity for spectra with a large number of overlapping transitions: Examples from soft X-ray spectroscopy Download full text (pdf) of Quantifying similarity for spectra with a large number of overlapping transitions: Examples from soft X-ray spectroscopy

Setting the stage for theoretical x-ray spectra of the H2S molecule with multi-configurational quantum chemical calculations of the energy landscape

Ertan, Emelie; Lundberg, Marcus; Sörensen, Lasse Kragh; Odelius, Michael

Part of Journal of Chemical Physics, 2020.

DOI for Setting the stage for theoretical x-ray spectra of the H2S molecule with multi-configurational quantum chemical calculations of the energy landscape

Simulations of valence excited states in coordination complexes reached through hard X-ray scattering

Källman, Erik; Guo, Meiyuan; Delcey, Mickael G; Meyer, Drew A. et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 8325-8335, 2020.

DOI for Simulations of valence excited states in coordination complexes reached through hard X-ray scattering Download full text (pdf) of Simulations of valence excited states in coordination complexes reached through hard X-ray scattering

Spectroscopic investigations under whole-cell conditions provide new insight into the metal hydride chemistry of [FeFe]-hydrogenase

Meszaros, Livia S.; Ceccaldi, Pierre; Lorenzi, Marco; Redman, Holly J. et al.

Part of Chemical Science, p. 4608-4617, 2020.

DOI for Spectroscopic investigations under whole-cell conditions provide new insight into the metal hydride chemistry of [FeFe]-hydrogenase Download full text (pdf) of Spectroscopic investigations under whole-cell conditions provide new insight into the metal hydride chemistry of [FeFe]-hydrogenase

Spin transition in a ferrous chloride complex supported by a pentapyridine ligand

Boniolo, Manuel; Shylin, Sergii I.; Chernev, Petko; Cheah, Mun Hon et al.

Part of Chemical Communications, p. 2703-2706, 2020.

DOI for Spin transition in a ferrous chloride complex supported by a pentapyridine ligand Download full text (pdf) of Spin transition in a ferrous chloride complex supported by a pentapyridine ligand

Substrate water exchange in the S-2 state of photosystem II is dependent on the conformation of the Mn4Ca cluster

de Lichtenberg, Casper; Messinger, Johannes

Part of Physical Chemistry, Chemical Physics - PCCP, p. 12894-12908, 2020.

DOI for Substrate water exchange in the S-2 state of photosystem II is dependent on the conformation of the Mn4Ca cluster

The maturase HydF enables [FeFe] hydrogenase assembly via transient, cofactor-dependent interactions

Németh, Brigitta; Land, Henrik; Magnuson, Ann; Hofer, Anders et al.

Part of Journal of Biological Chemistry, p. 11891-11901, 2020.

DOI for The maturase HydF enables [FeFe] hydrogenase assembly via transient, cofactor-dependent interactions Download full text (pdf) of The maturase HydF enables [FeFe] hydrogenase assembly via transient, cofactor-dependent interactions

The reactivity of molecular oxygen and reactive oxygen species with [FeFe] hydrogenase biomimetics: reversibility and the role of the second coordination sphere

Wang, Vincent Cho-Chien; Esmieu, Charlène; Redman, Holly J.; Berggren, Gustav et al.

Part of Dalton Transactions, p. 858-865, 2020.

DOI for The reactivity of molecular oxygen and reactive oxygen species with [FeFe] hydrogenase biomimetics: reversibility and the role of the second coordination sphere Download full text (pdf) of The reactivity of molecular oxygen and reactive oxygen species with [FeFe] hydrogenase biomimetics: reversibility and the role of the second coordination sphere

The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron

Grāve, Kristīne; Griese, Julia J.; Berggren, Gustav; Bennett, Matthew D. et al.

Part of Journal of Biological Inorganic Chemistry, p. 571-582, 2020.

DOI for The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron Download full text (pdf) of The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron

Toward Sustainable H-2 Production: Linking Hydrogenase with Photosynthesis

Magnuson, Ann; Mamedov, Fikret; Messinger, Johannes

Part of Joule, p. 1157-1159, 2020.

DOI for Toward Sustainable H-2 Production: Linking Hydrogenase with Photosynthesis

Untangling the sequence of events during the S-2 -> S-3 transition in photosystem II and implications for the water oxidation mechanism

Ibrahim, Mohamed; Fransson, Thomas; Chatterjee, Ruchira; Cheah, Mun Hon et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 12624-12635, 2020.

DOI for Untangling the sequence of events during the S-2 -> S-3 transition in photosystem II and implications for the water oxidation mechanism

Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering

Kunnus, Kristjan; Vacher, Morgane; Harlang, Tobias C. B.; Kjaer, Kasper S. et al.

Part of Nature Communications, 2020.

DOI for Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering Download full text (pdf) of Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering

Water oxidation by photosystem II is the primary source of electrons for sustained H-2 photoproduction in nutrient-replete green algae

Kosourov, Sergey; Nagy, Valeria; Shevela, Dmitry; Jokel, Martina et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 29629-29636, 2020.

DOI for Water oxidation by photosystem II is the primary source of electrons for sustained H-2 photoproduction in nutrient-replete green algae Download full text (pdf) of Water oxidation by photosystem II is the primary source of electrons for sustained H-2 photoproduction in nutrient-replete green algae

X-Ray Absorption Spectrum of the N-2(+) Molecular Ion

Lindblad, Rebecka; Kjellsson, Ludvig; Couto, Rafael Carvalho; Timm, M. et al.

Part of Physical Review Letters, 2020.

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A microstructured p-Si photocathode outcompetes Pt as a counter electrode to hematite in photoelectrochemical water splitting

Kawde, Anurag; Annamalai, Alagappan; Sellstedt, Anita; Glatzel, Pieter et al.

Part of Dalton Transactions, p. 1166-1170, 2019.

DOI for A microstructured p-Si photocathode outcompetes Pt as a counter electrode to hematite in photoelectrochemical water splitting Download full text (pdf) of A microstructured p-Si photocathode outcompetes Pt as a counter electrode to hematite in photoelectrochemical water splitting

"Birth defects' of photosystem II make it highly susceptible to photodamage during chloroplast biogenesis

Shevela, Dmitry; Ananyev, Gennady; Vatland, Ann K.; Arnold, Janine et al.

Part of Physiologia Plantarum, p. 165-180, 2019.

DOI for "Birth defects' of photosystem II make it highly susceptible to photodamage during chloroplast biogenesis

Characterization of the transient fluorescence wave phenomenon that occurs during H-2 production in Chlamydomonas reinhardtii

Krishna, Pilla Sankara; Morello, Giorgio; Mamedov, Fikret

Part of Journal of Experimental Botany, p. 6321-6336, 2019.

DOI for Characterization of the transient fluorescence wave phenomenon that occurs during H-2 production in Chlamydomonas reinhardtii Download full text (pdf) of Characterization of the transient fluorescence wave phenomenon that occurs during H-2 production in Chlamydomonas reinhardtii

Class Id ribonucleotide reductase utilizes a Mn₂(IV,III) cofactor and undergoes large conformational changes on metal loading

Rozman Grinberg, Inna; Berglund, Sigrid; Hasan, Mahmudul; Lundin, Daniel et al.

Part of Journal of Biological Inorganic Chemistry, p. 863-877, 2019.

DOI for Class Id ribonucleotide reductase utilizes a Mn₂(IV,III) cofactor and undergoes large conformational changes on metal loading Download full text (pdf) of Class Id ribonucleotide reductase utilizes a Mn₂(IV,III) cofactor and undergoes large conformational changes on metal loading

Cobalt-doped hematite thin films for electrocatalytic water oxidation in highly acidic media

Kwong, Wai Ling; Lee, Cheng Choo; Shchukarev, Andrey; Messinger, Johannes

Part of Chemical Communications, p. 5017-5020, 2019.

DOI for Cobalt-doped hematite thin films for electrocatalytic water oxidation in highly acidic media Download full text (pdf) of Cobalt-doped hematite thin films for electrocatalytic water oxidation in highly acidic media

Compounds with capacity to quench the tyrosyl radical in Pseudomonas aeruginosa ribonucleotide reductase

Berggren, Gustav; Sahlin, Margareta; Crona, Mikael; Tholander, Fredrik et al.

Part of Journal of Biological Inorganic Chemistry, p. 841-848, 2019.

DOI for Compounds with capacity to quench the tyrosyl radical in Pseudomonas aeruginosa ribonucleotide reductase Download full text (pdf) of Compounds with capacity to quench the tyrosyl radical in Pseudomonas aeruginosa ribonucleotide reductase

Core-level nonlinear spectroscopy triggered by stochastic X-ray pulses

Kayser, Yves; Milne, Chris; Juranic, Pavle; Sala, Leonardo et al.

Part of Nature Communications, 2019.

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Discovery of novel [FeFe]-hydrogenases for biocatalytic H-2-production

Land, Henrik; Ceccaldi, Pierre; Meszaros, Livia S.; Lorenzi, Marco et al.

Part of Chemical Science, p. 9941-9948, 2019.

DOI for Discovery of novel [FeFe]-hydrogenases for biocatalytic H-2-production Download full text (pdf) of Discovery of novel [FeFe]-hydrogenases for biocatalytic H-2-production

Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions

Delcey, Mickael G; Sörensen, Lasse Kragh; Vacher, Morgane; Couto, Rafael Carvalho et al.

Part of Journal of Computational Chemistry, p. 1789-1799, 2019.

DOI for Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions Download full text (pdf) of Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions

Efficient visible light-driven water oxidation catalysed by an iron(IV) clathrochelate complex

Shylin, Sergii I.; Pavliuk, Mariia V.; D'Amario, Luca; Mamedov, Fikret et al.

Part of Chemical Communications, p. 3335-3338, 2019.

DOI for Efficient visible light-driven water oxidation catalysed by an iron(IV) clathrochelate complex Download full text (pdf) of Efficient visible light-driven water oxidation catalysed by an iron(IV) clathrochelate complex

Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra

Guo, Meiyuan; Källman, Erik; Pinjari, Rahul V.; Couto, Rafael Carvalho et al.

Part of Journal of Chemical Theory and Computation, p. 477-489, 2019.

DOI for Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra Download full text (pdf) of Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra

Five-coordinate Mn-IV intermediate in the activation of nature's water splitting cofactor

Chrysina, Maria; Heyno, Eiri; Kutin, Yury; Reus, Michael et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 16841-16846, 2019.

DOI for Five-coordinate Mn-IV intermediate in the activation of nature's water splitting cofactor

Heterocyst Thylakoid Bioenergetics

Magnuson, Ann

Part of Life, 2019.

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Hydrolysis of Chemically Distinct Sites of Human Serum Albumin by Polyoxometalate: A Hybrid QM/MM (ONIOM) Study

Jayasinghe-Arachchige, Vindi M.; Hu, Qiaoyu; Sharma, Gaurav; Paul, Thomas J. et al.

Part of Journal of Computational Chemistry, p. 51-61, 2019.

DOI for Hydrolysis of Chemically Distinct Sites of Human Serum Albumin by Polyoxometalate: A Hybrid QM/MM (ONIOM) Study Download full text (pdf) of Hydrolysis of Chemically Distinct Sites of Human Serum Albumin by Polyoxometalate: A Hybrid QM/MM (ONIOM) Study

Implementation of a semiclassical light-matter interaction using the Gauss–Hermite quadrature: A simple alternative to the multipole expansion

Sørensen, Lasse Kragh; Kieri, Emil; Srivastav, Shruti; Lundberg, Marcus et al.

Part of Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2019.

DOI for Implementation of a semiclassical light-matter interaction using the Gauss–Hermite quadrature: A simple alternative to the multipole expansion

Inception of electronic damage of matter by photon-driven post-ionization mechanisms

Blachucki, W.; Kayser, Y.; Czapla-Masztafiak, J.; Guo, Meiyuan et al.

Part of Structural Dynamics, 2019.

DOI for Inception of electronic damage of matter by photon-driven post-ionization mechanisms Download full text (pdf) of Inception of electronic damage of matter by photon-driven post-ionization mechanisms

Investigating electron transport in a PEDOT/Quinone conducting redox polymer with in situ methods

Sterby, Mia; Emanuelsson, Rikard; Mamedov, Fikret; Strömme, Maria et al.

Part of Electrochimica Acta, p. 277-284, 2019.

DOI for Investigating electron transport in a PEDOT/Quinone conducting redox polymer with in situ methods Download full text (pdf) of Investigating electron transport in a PEDOT/Quinone conducting redox polymer with in situ methods

Luminescence and reactivity of a charge-transfer excited iron complex with nanosecond lifetime

Kjmer, Kasper Skov; Kaul, Nidhi; Prakash, Om; Chabera, Pavel et al.

Part of Science, p. 249-253, 2019.

DOI for Luminescence and reactivity of a charge-transfer excited iron complex with nanosecond lifetime

Metal vs. ligand protonation and the alleged proton-shuttling role of the azadithiolate ligand in catalytic H-2 formation with FeFe hydrogenase model complexes

Aster, Alexander; Wang, Shihuai; Mirmohades, Mohammad; Esmieu, Charlène et al.

Part of Chemical Science, p. 5582-5588, 2019.

DOI for Metal vs. ligand protonation and the alleged proton-shuttling role of the azadithiolate ligand in catalytic H-2 formation with FeFe hydrogenase model complexes Download full text (pdf) of Metal vs. ligand protonation and the alleged proton-shuttling role of the azadithiolate ligand in catalytic H-2 formation with FeFe hydrogenase model complexes

Molecular Basis of the Chemiluminescence Mechanism of Luminol

Giussani, Angelo; Farahani, Pooria; Martinez-Muñoz, Daniel; Lundberg, Marcus et al.

Part of Chemistry - A European Journal, p. 5202-5213, 2019.

DOI for Molecular Basis of the Chemiluminescence Mechanism of Luminol Download full text (pdf) of Molecular Basis of the Chemiluminescence Mechanism of Luminol

Monitoring H-cluster assembly using a semi-synthetic HydF protein

Nemeth, Brigitta; Esmieu, Charlène; Redman, Holly J.; Berggren, Gustav

Part of Dalton Transactions, p. 5978-5986, 2019.

DOI for Monitoring H-cluster assembly using a semi-synthetic HydF protein

Multiconfigurational Approach to X-ray Spectroscopy of Transition Metal Complexes

Lundberg, Marcus; Delcey, Mickaël G.

Part of Transition Metals in Coordination Environments, p. 185-217, 2019.

DOI for Multiconfigurational Approach to X-ray Spectroscopy of Transition Metal Complexes Download full text (pdf) of Multiconfigurational Approach to X-ray Spectroscopy of Transition Metal Complexes

OpenMolcas: From Source Code to Insight

Fernández Galván, Ignacio; Vacher, Morgane; Alavi, Ali; Angeli, Celestino et al.

Part of Journal of Chemical Theory and Computation, p. 5925-5964, 2019.

DOI for OpenMolcas: From Source Code to Insight

Photoinduced hole transfer from tris(bipyridine)ruthenium dye to a high-valent iron-based water oxidation catalyst

Shylin, Sergii I.; Pavliuk, Mariia V.; D'Amario, Luca; Fritsky, Igor O. et al.

Part of Faraday discussions, p. 162-174, 2019.

DOI for Photoinduced hole transfer from tris(bipyridine)ruthenium dye to a high-valent iron-based water oxidation catalyst Download full text (pdf) of Photoinduced hole transfer from tris(bipyridine)ruthenium dye to a high-valent iron-based water oxidation catalyst

Photosynthesis: European Congress on Photosynthesis Research

Krieger-Liszkay, Anja; Spetea, Cornelia; Messinger, Johannes

Part of Physiologia Plantarum, p. 4-6, 2019.

DOI for Photosynthesis: European Congress on Photosynthesis Research

Photosystem ratio imbalance promotes direct sustainable H-2 production in Chlamydomonas reinhardtii

Krishna, Pilla Sankara; Styring, Stenbjörn; Mamedov, Fikret

Part of Green Chemistry, p. 4683-4690, 2019.

DOI for Photosystem ratio imbalance promotes direct sustainable H-2 production in Chlamydomonas reinhardtii Download full text (pdf) of Photosystem ratio imbalance promotes direct sustainable H-2 production in Chlamydomonas reinhardtii

Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access

Grāve, Kristīne; Lambert, Wietske; Berggren, Gustav; Griese, Julia J. et al.

Part of Journal of Biological Inorganic Chemistry, p. 849-861, 2019.

DOI for Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access Download full text (pdf) of Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access

Redox-State-Dependent Interplay between Pendant Group and Conducting Polymer Backbone in Quinone-Based Conducting Redox Polymers for Lithium Ion Batteries

Wang, Huan; Emanuelsson, Rikard; Liu, Haidong; Edström, Kristina et al.

Part of ACS Applied Energy Materials, p. 7162-7170, 2019.

DOI for Redox-State-Dependent Interplay between Pendant Group and Conducting Polymer Backbone in Quinone-Based Conducting Redox Polymers for Lithium Ion Batteries

Resonant inelastic X-ray scattering determination of the electronic structure of oxyhemoglobin and its model complex

Yan, James J.; Kroll, Thomas; Baker, Michael L.; Wilson, Samuel A. et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 2854-2859, 2019.

DOI for Resonant inelastic X-ray scattering determination of the electronic structure of oxyhemoglobin and its model complex Download full text (pdf) of Resonant inelastic X-ray scattering determination of the electronic structure of oxyhemoglobin and its model complex

Resonant Inelastic X-ray Scattering (RIXS) Studies in Chemistry: Present and Future

Lundberg, Marcus; Wernet, Philippe

Part of Synchrotron Light Sources and Free-Electron Lasers, 2019.

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Structural isomers of the S-2 state in photosystem II: do they exist at room temperature and are they important for function?

Chatterjee, Ruchira; Lassalle, Louise; Gul, Sheraz; Fuller, Franklin D. et al.

Part of Physiologia Plantarum, p. 60-72, 2019.

DOI for Structural isomers of the S-2 state in photosystem II: do they exist at room temperature and are they important for function?

Structure of intermediates of the water oxidation reaction in photosystem II

Lassalle, L.; Kern, J.; Ibrahim, M.; Sutherlin, K. D. et al.

Part of Acta Crystallographica Section A: Foundations and Advances, p. a140-a140, 2019.

DOI for Structure of intermediates of the water oxidation reaction in photosystem II

Synthesis of a miniaturized [FeFe] hydrogenase model system

Esmieu, Charlene; Guo, Meiyuan; Redman, Holly J.; Lundberg, Marcus et al.

Part of Dalton Transactions, p. 2280-2284, 2019.

DOI for Synthesis of a miniaturized [FeFe] hydrogenase model system Download full text (pdf) of Synthesis of a miniaturized [FeFe] hydrogenase model system

The Low Molecular Mass Photosystem II Protein PsbTn Is Important for Light Acclimation

Chen, Yang-Er; Yuan, Shu; Lezhneva, Lina; Meurer, Jörg et al.

Part of Plant Physiology, p. 1739-1753, 2019.

DOI for The Low Molecular Mass Photosystem II Protein PsbTn Is Important for Light Acclimation

Unequal misses during the flash-induced advancement of photosystem II: effects of the S state and acceptor side cycles

Pham, Long Vo; Olmos, Julian David Janna; Chernev, Petko; Kargul, Joanna et al.

Part of Photosynthesis Research, p. 93-106, 2019.

DOI for Unequal misses during the flash-induced advancement of photosystem II: effects of the S state and acceptor side cycles Download full text (pdf) of Unequal misses during the flash-induced advancement of photosystem II: effects of the S state and acceptor side cycles

We remember those who left us in the recent past

Govindjee, []; Messinger, Johannes

Part of Physiologia Plantarum, p. 7-11, 2019.

DOI for We remember those who left us in the recent past

XANES and EXAFS of dilute solutions of transition metals at XFELs

Chatterjee, Ruchira; Weninger, Clemens; Loukianov, Anton; Gul, Sheraz et al.

Part of Journal of Synchrotron Radiation, p. 1716-1724, 2019.

DOI for XANES and EXAFS of dilute solutions of transition metals at XFELs Download full text (pdf) of XANES and EXAFS of dilute solutions of transition metals at XFELs

A glutaredoxin domain fused to the radical-generating subunit of ribonucleotide reductase (RNR) functions as an efficient RNR reductant

Grinberg, Inna Rozman; Lundin, Daniel; Sahlin, Margareta; Crona, Mikael et al.

Part of Journal of Biological Chemistry, p. 15889-15900, 2018.

DOI for A glutaredoxin domain fused to the radical-generating subunit of ribonucleotide reductase (RNR) functions as an efficient RNR reductant Download full text (pdf) of A glutaredoxin domain fused to the radical-generating subunit of ribonucleotide reductase (RNR) functions as an efficient RNR reductant

Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions

Liu, Tianfei; Guo, Meiyuan; Orthaber, Andreas; Lomoth, Reiner et al.

Part of Nature Chemistry, p. 881-887, 2018.

DOI for Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions Download full text (pdf) of Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions

Artificial photosynthesis - from sunlight to fuels and valuable products for a sustainable future

Messinger, Johannes; Ishitani, Osamu; Wang, Dunwei

Part of Sustainable Energy & Fuels, p. 1891-1892, 2018.

DOI for Artificial photosynthesis - from sunlight to fuels and valuable products for a sustainable future

Coherent structural dynamics observed with femtosecond Fe K alpha and K beta X-ray emission spectroscopies

Kunnus, Kristjan; Harlang, Tobias; Kjaer, Kasper Skov; Vacher, Morgane et al.

Part of Abstracts of Papers of the American Chemical Society, 2018.

Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections

Kubin, Markus; Guo, Meiyuan; Ekimova, Maria; Källman, Erik et al.

Part of Journal of Physical Chemistry B, p. 7375-7384, 2018.

DOI for Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections Download full text (pdf) of Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections

Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet

Kubin, Markus; Guo, Meiyuan; Ekimova, Maria; Baker, Michael L. et al.

Part of Inorganic Chemistry, p. 5449-5462, 2018.

DOI for Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet Download full text (pdf) of Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet

Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering

Jay, Raphael M.; Norell, Jesper; Eckert, Sebastian; Hantschmann, Markus et al.

Part of Journal of Physical Chemistry Letters, p. 3538-3543, 2018.

DOI for Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering Download full text (pdf) of Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering

Dynamcis of local charge densities and metal-ligand covalency in iron complexes from femtosecond resonant inelastic soft X-ray scattering

Jay, Raphael; Norell, Jesper; Kunnus, Kristjan; Lundberg, Marcus et al.

Part of Abstracts of Papers of the American Chemical Society, 2018.

Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species

Norell, Jesper; Jay, Raphael M.; Hantschmann, Markus; Eckert, Sebastian et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 7243-7253, 2018.

DOI for Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species Download full text (pdf) of Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species

Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft x-ray scattering in transient photo-chemical species

Norell, Jesper; Jay, Raphael; Hantschmann, Markus; Eckert, Sebastian et al.

Part of Abstracts of Papers of the American Chemical Society, 2018.

Formation of tyrosine radicals in photosystem II under far-red illumination

Ahmadova, Nigar; Mamedov, Fikret

Part of Photosynthesis Research, p. 93-106, 2018.

DOI for Formation of tyrosine radicals in photosystem II under far-red illumination Download full text (pdf) of Formation of tyrosine radicals in photosystem II under far-red illumination

From protein engineering to artificial enzymes - biological and biomimetic approaches towards sustainable hydrogen production

Esmieu, Charlène; Raleiras, Patricia; Berggren, Gustav

Part of Sustainable Energy & Fuels, p. 724-750, 2018.

DOI for From protein engineering to artificial enzymes - biological and biomimetic approaches towards sustainable hydrogen production Download full text (pdf) of From protein engineering to artificial enzymes - biological and biomimetic approaches towards sustainable hydrogen production

Generation of a functional, semisynthetic [FeFe]-hydrogenase in a photosynthetic microorganism

Wegelius, Adam; Khanna, Namita; Esmieu, Charlene; Barone, Giovanni Davide et al.

Part of Energy & Environmental Science, p. 3163-3167, 2018.

DOI for Generation of a functional, semisynthetic [FeFe]-hydrogenase in a photosynthetic microorganism Download full text (pdf) of Generation of a functional, semisynthetic [FeFe]-hydrogenase in a photosynthetic microorganism

High-performance iron (III) oxide electrocatalyst for water oxidation in strongly acidic media

Kwong, Wai Ling; Lee, Cheng Choo; Shchukarev, Andrey; Björn, Erik et al.

Part of Journal of Catalysis, p. 29-35, 2018.

DOI for High-performance iron (III) oxide electrocatalyst for water oxidation in strongly acidic media

Homologous overexpression of NpDps2 and NpDps5 increases the tolerance for oxidative stress in the multicellular cyanobacterium Nostoc punctiforme

Li, Xin; Mustila, Henna; Magnuson, Ann; Stensjö, Karin

Part of FEMS Microbiology Letters, 2018.

DOI for Homologous overexpression of NpDps2 and NpDps5 increases the tolerance for oxidative stress in the multicellular cyanobacterium Nostoc punctiforme Download full text (pdf) of Homologous overexpression of NpDps2 and NpDps5 increases the tolerance for oxidative stress in the multicellular cyanobacterium Nostoc punctiforme

Hydrogen evolution by a photoelectrochemical cell based on a Cu₂O-ZnO-[FeFe] hydrogenase electrode

Tian, Haining; Nemeth, Brigitta; Berggren, Gustav; Tian, Lei

Part of Journal of Photochemistry and Photobiology A, p. 27-33, 2018.

DOI for Hydrogen evolution by a photoelectrochemical cell based on a Cu₂O-ZnO-[FeFe] hydrogenase electrode Download full text (pdf) of Hydrogen evolution by a photoelectrochemical cell based on a Cu₂O-ZnO-[FeFe] hydrogenase electrode

InVivo EPR Characterization of Semi-Synthetic [FeFe] Hydrogenases

Meszaros, Livia S.; Nemeth, Brigitta; Esmieu, Charlène; Ceccaldi, Pierre et al.

Part of Angewandte Chemie International Edition, p. 2596-2599, 2018.

DOI for InVivo EPR Characterization of Semi-Synthetic [FeFe] Hydrogenases

K alpha X-ray Emission Spectroscopy on the Photosynthetic Oxygen-Evolving Complex Supports Manganese Oxidation and Water Binding in the S-3 State

Schuth, Nils; Zaharieva, Ivelina; Chernev, Petko; Berggren, Gustav et al.

Part of Inorganic Chemistry, p. 10424-10430, 2018.

DOI for K alpha X-ray Emission Spectroscopy on the Photosynthetic Oxygen-Evolving Complex Supports Manganese Oxidation and Water Binding in the S-3 State

Kursutveckling i partnerskap mellan lärare och studenter

Bengtson, Charlotta; Ahlkvist, Mikaela; Ekeroth, William; Nilsen-Moe, Astrid et al.

Part of Pedagogiska utmaningar i en dynamisk samtid, p. 38-51, 2018.

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Kursutveckling i partnerskap mellan lärare och studenter

Bengtson, Charlotta; Ahlkvist, Mikaela; Ekeroth, William; Nilsen-Moe, Astrid et al.

2018.

Liquid-Phase Measurements of Photosynthetic Oxygen Evolution.

Shevela, Dmitriy; Schröder, Wolfgang P; Messinger, Johannes

Part of Methods in Molecular Biology, p. 197-211, 2018.

DOI for Liquid-Phase Measurements of Photosynthetic Oxygen Evolution.

Long-Lasting Non-hydrogenated Dark Titanium Dioxide: Medium Vacuum Anneal for Enhanced Visible Activity of Modified Multiphase Photocatalysts

Ozer, Lütfiye Y.; Apostoleris, Harry; Ravaux, Florent; Shylin, Sergii I. et al.

Part of ChemCatChem, p. 2949-2954, 2018.

DOI for Long-Lasting Non-hydrogenated Dark Titanium Dioxide: Medium Vacuum Anneal for Enhanced Visible Activity of Modified Multiphase Photocatalysts

Novel ATP-cone-driven allosteric regulation of ribonucleotide reductase via the radical-generating subunit

Grinberg, Inna Rozman; Lundin, Daniel; Hasan, Mahmudul; Crona, Mikael et al.

Part of eLIFE, 2018.

DOI for Novel ATP-cone-driven allosteric regulation of ribonucleotide reductase via the radical-generating subunit Download full text (pdf) of Novel ATP-cone-driven allosteric regulation of ribonucleotide reductase via the radical-generating subunit

Photo-electrochemical hydrogen production from neutral phosphate buffer and seawater using micro-structured p-Si photo-electrodes functionalized by solution-based methods

Kawde, Anurag; Annamalai, Alagappan; Amidani, Lucia; Boniolo, Manuel et al.

Part of Sustainable Energy & Fuels, p. 2215-2223, 2018.

DOI for Photo-electrochemical hydrogen production from neutral phosphate buffer and seawater using micro-structured p-Si photo-electrodes functionalized by solution-based methods Download full text (pdf) of Photo-electrochemical hydrogen production from neutral phosphate buffer and seawater using micro-structured p-Si photo-electrodes functionalized by solution-based methods

Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies

Kubin, Markus; Guo, Meiyuan; Kroll, Thomas; Lächel, Heike et al.

Part of Chem. Sci., p. 6813-6829, 2018.

DOI for Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies Download full text (pdf) of Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies

Quantification of bound bicarbonate in photosystem II#

Tikhonov, K.; Shevela, D.; Klimov, V. V.; Messinger, Johannes

Part of Photosynthetica (Praha), p. 210-216, 2018.

DOI for Quantification of bound bicarbonate in photosystem II#

Solar UV index and UV dose determination with photochromic hackmanites: from the assessment of the fundamental properties to the device

Norrbo, Isabella; Curutchet, Antton; Kuusisto, Ari; Makela, Jaakko et al.

Part of Materials Horizons, p. 569-576, 2018.

DOI for Solar UV index and UV dose determination with photochromic hackmanites: from the assessment of the fundamental properties to the device

Structures of the intermediates of Kok's photosynthetic water oxidation clock

Kern, Jan; Chatterjee, Ruchira; Young, Iris D.; Fuller, Franklin D. et al.

Part of Nature, p. 421-425, 2018.

DOI for Structures of the intermediates of Kok's photosynthetic water oxidation clock

Sustainable photobiological hydrogen production via protein engineering of cyanobacterial hydrogenases

Magnuson, Ann; Raleiras, Patricia; Meszaros, Livia S.; Khanna, Namita et al.

Part of Abstracts of Papers of the American Chemical Society, 2018.

The wavelength of the incident light determines the primary charge separation pathway in Photosystem II

Pavlou, Andrea; Jacques, Julien; Ahmadova, Nigar; Mamedov, Fikret et al.

Part of Scientific Reports, 2018.

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Ultrafast Interligand Electron Transfer in cis-[Ru(4,4’-dicarboxylate-2,2’-bipyridine)₂(NCS)₂]^4- and Implications for Electron Injection Limitations in Dye Sensitized Solar Cells

Pettersson-Rimgard, Belinda; Föhlinger, Jens; Petersson, Jonas; Lundberg, Marcus et al.

Part of Chemical Science, p. 7958-7967, 2018.

DOI for Ultrafast Interligand Electron Transfer in cis-[Ru(4,4’-dicarboxylate-2,2’-bipyridine)₂(NCS)₂]^4- and Implications for Electron Injection Limitations in Dye Sensitized Solar Cells Download full text (pdf) of Ultrafast Interligand Electron Transfer in cis-[Ru(4,4’-dicarboxylate-2,2’-bipyridine)₂(NCS)₂]^4- and Implications for Electron Injection Limitations in Dye Sensitized Solar Cells

X-ray-induced sample damage at the Mn L-edge: a case study for soft X-ray spectroscopy of transition metal complexes in solution

Kubin, Markus; Kern, Jan; Guo, Meiyuan; Källman, Erik et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 16817-16827, 2018.

DOI for X-ray-induced sample damage at the Mn L-edge: a case study for soft X-ray spectroscopy of transition metal complexes in solution Download full text (pdf) of X-ray-induced sample damage at the Mn L-edge: a case study for soft X-ray spectroscopy of transition metal complexes in solution

A low-spin Fe(III) complex with 100-ps ligand-to-metal charge transfer photoluminescence

Chabera, Pavel; Liu, Yizhu; Prakash, Om; Thyrhaug, Erling et al.

Part of Nature, p. 695-+, 2017.

DOI for A low-spin Fe(III) complex with 100-ps ligand-to-metal charge transfer photoluminescence

Aktiva studenter gör demonstrationsexperiment (1)

Heijkenskjöld, Filip; Edvardsson, Bengt; Marcus, Lundberg

2017.

Aktiva studenter gör demonstrationsexperiment (2)

Heijkenskjöld, Filip; Edvardsson, Bengt; Lundberg, Marcus

2017.

Applications to metal K pre-edges of transitionmetal dimers illustrate the approximate origin independence for the intensities in the length representation

Sørensen, Lasse Kragh; Guo, Meiyuan; Lindh, Roland; Lundberg, Marcus

Part of Molecular Physics, p. 174-189, 2017.

DOI for Applications to metal K pre-edges of transitionmetal dimers illustrate the approximate origin independence for the intensities in the length representation Download full text (pdf) of Applications to metal K pre-edges of transitionmetal dimers illustrate the approximate origin independence for the intensities in the length representation

Cationic Vacancy Defects in Iron Phosphide: A Promising Route toward Efficient and Stable Hydrogen Evolution by Electrochemical Water Splitting

Kwong, Wai Ling; Gracia-Espino, Eduardo; Lee, Cheng Choo; Sandström, Robin et al.

Part of ChemSusChem, p. 4544-4551, 2017.

DOI for Cationic Vacancy Defects in Iron Phosphide: A Promising Route toward Efficient and Stable Hydrogen Evolution by Electrochemical Water Splitting Download full text (pdf) of Cationic Vacancy Defects in Iron Phosphide: A Promising Route toward Efficient and Stable Hydrogen Evolution by Electrochemical Water Splitting

Conducting redox polymers with non-activated charge transport properties

Yang, Li; Huang, Xiao; Mamedov, Fikret; Zhang, Peng et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 25052-25058, 2017.

DOI for Conducting redox polymers with non-activated charge transport properties

Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers

Fuller, Franklin D.; Gul, Sheraz; Chatterjee, Ruchira; Burgie, E. Sethe et al.

Part of Nature Methods, p. 443-+, 2017.

DOI for Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers

Electrocatalytic Water Oxidation by MnO_x /C: In Situ Catalyst Formation, Carbon Substrate Variations, and Direct O₂ /CO₂ Monitoring by Membrane-Inlet Mass Spectrometry

Melder, Jens; Kwong, Wai Ling; Shevela, Dmitriy; Messinger, Johannes et al.

Part of ChemSusChem, p. 4491-4502, 2017.

DOI for Electrocatalytic Water Oxidation by MnO_x /C: In Situ Catalyst Formation, Carbon Substrate Variations, and Direct O₂ /CO₂ Monitoring by Membrane-Inlet Mass Spectrometry

From natural to artificial photosynthesis

Messinger, Johannes

2017.

From natural to artificial photosynthesis

Messinger, Johannes

2017.

Gauge origin independence in finite basis sets and perturbation theory

Sörensen, Lasse Kragh; Lindh, Roland; Lundberg, Marcus

Part of Chemical Physics Letters, p. 536-542, 2017.

DOI for Gauge origin independence in finite basis sets and perturbation theory Download full text (pdf) of Gauge origin independence in finite basis sets and perturbation theory

Homo- and Heterometallic Dinuclear Manganese Proteins: Active Site Assembly

Berggren, Gustav; Lundin, Daniel; Sjöberg, Britt-Marie

Part of Metalloprotein Active Site Assembly, p. 215-233, 2017.

In vivo activation of an [FeFe] hydrogenase using synthetic cofactors

Khanna, Namita; Esmieu, Charlène; Meszaros, Livia S.; Lindblad, Peter et al.

Part of Energy & Environmental Science, p. 1563-1567, 2017.

DOI for In vivo activation of an [FeFe] hydrogenase using synthetic cofactors Download full text (pdf) of In vivo activation of an [FeFe] hydrogenase using synthetic cofactors

Insight into the electronic structure of transition metal ion complexes from resonant inelastic X-ray scattering

Kroll, Thomas; Hadt, Ryan; Wilson, Samuel; Baker, Michael et al.

Part of Abstracts of Papers of the American Chemical Society, 2017.

Lanthanide and Heavy Metal Free Long White Persistent Luminescence from Ti Doped Li-Hackmanite: A Versatile, Low-Cost Material

Norrbo, Isabella; Carvalho, Jose M.; Laukkanen, Pekka; Mäkelä, Jaakko et al.

Part of Advanced Functional Materials, 2017.

DOI for Lanthanide and Heavy Metal Free Long White Persistent Luminescence from Ti Doped Li-Hackmanite: A Versatile, Low-Cost Material

Ligand modification to stabilize the cobalt complexes for water oxidation

Liu, Si; Lei, You-Jia; Xin, Zhi-Juan; Xiang, Rui-Juan et al.

Part of International journal of hydrogen energy, p. 29716-29724, 2017.

DOI for Ligand modification to stabilize the cobalt complexes for water oxidation

Light-driven water oxidation by photosystem II

Messinger, Johannes

2017.

Polaron Disproportionation Charge Transport in a Conducting Redox Polymer

Huang, Hao; Karlsson, Christoffer; Mamedov, Fikret; Strömme, Maria et al.

Part of The Journal of Physical Chemistry C, p. 13078-13083, 2017.

DOI for Polaron Disproportionation Charge Transport in a Conducting Redox Polymer

Rearranging from 6-to 7-coordination initiates the catalytic activity: An EPR study on a Ru-bda water oxidation catalyst

Daniel, Quentin; Huang, Ping; Fan, Ting; Wang, Ying et al.

Part of Coordination chemistry reviews, p. 206-215, 2017.

DOI for Rearranging from 6-to 7-coordination initiates the catalytic activity: An EPR study on a Ru-bda water oxidation catalyst

Scalable Two-Step Synthesis of Nickel Iron Phosphide Electrodes for Stable and Efficient Electrocatalytic Hydrogen Evolution

Kwong, Wai Ling; Lee, Cheng Choo; Messinger, Johannes

Part of The Journal of Physical Chemistry C, p. 284-292, 2017.

DOI for Scalable Two-Step Synthesis of Nickel Iron Phosphide Electrodes for Stable and Efficient Electrocatalytic Hydrogen Evolution

Sll1783, a monooxygenase associated with polysaccharide processing in the unicellular cyanobacterium Synechocystis PCC 6803

Miranda, Hélder; Immerzeel, Peter; Gerber, Lorenz; Hörnaeus, Katarina et al.

Part of Physiologia Plantarum, p. 182-195, 2017.

DOI for Sll1783, a monooxygenase associated with polysaccharide processing in the unicellular cyanobacterium Synechocystis PCC 6803

Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers

Kubin, Markus; Kern, Jan; Gul, Sheraz; Kroll, Thomas et al.

Part of Structural Dynamics, 2017.

DOI for Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers Download full text (pdf) of Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers

The protonation state around Tyr(D)/Tyr((D)) over dot in photosystem II is reflected in its biphasic oxidation kinetics

Sjöholm, Johannes; Ho*, Felix; Ahmadova, Nigar; Brinkert, Katharina et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 147-155, 2017.

DOI for The protonation state around Tyr(D)/Tyr((D)) over dot in photosystem II is reflected in its biphasic oxidation kinetics

Tumor antigen glycosaminoglycan modification regulates antibody-drug conjugate delivery and cytotoxicity

Christianson, Helena C.; Menard, Julien A.; Chandran, Vineesh Indira; Bourseau-Guilmain, Erika et al.

Part of OncoTarget, p. 66960-66974, 2017.

DOI for Tumor antigen glycosaminoglycan modification regulates antibody-drug conjugate delivery and cytotoxicity Download full text (pdf) of Tumor antigen glycosaminoglycan modification regulates antibody-drug conjugate delivery and cytotoxicity

Tyrosine D oxidation and redox equilibrium in Photosystem II

Ahmadova, Nigar; Ho, Felix; Styring, Stenbjörn; Mamedov, Fikret

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 407-417, 2017.

DOI for Tyrosine D oxidation and redox equilibrium in Photosystem II

Water splitting catalyzed by the MN4CaO5 cluster in photosystem II

Messinger, Johannes

2017.

Working as Partners: Course Development by a Student–Teacher Team

Bengtson, Charlotta; Ahlkvist, Mikaela; Ekeroth, William; Nilsen-Moe, Astrid et al.

Part of International Journal for the Scholarship of Teaching & Learning, 2017.

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A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding

Retegan, Marius; Krewald, Vera; Mamedov, Fikret; Neese, Frank et al.

Part of Chemical Science, p. 72-84, 2016.

DOI for A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding Download full text (pdf) of A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding

Biogenesis of water splitting by photosystem II during de-etiolation of barley (Hordeum vulgare L.)

Shevela, Dmitriy; Arnold, Janine; Reisinger, Veronika; Berends, Hans-Martin et al.

Part of Plant, Cell and Environment, p. 1524-1536, 2016.

DOI for Biogenesis of water splitting by photosystem II during de-etiolation of barley (Hordeum vulgare L.)

Challenges facing an understanding of the nature of low-energy excited states in photosynthesis

Reimers, Jeffrey R.; Biczysko, Malgorzata; Bruce, Douglas; Coker, David F. et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1627-1640, 2016.

DOI for Challenges facing an understanding of the nature of low-energy excited states in photosynthesis

Changes in the Photosystem II complex associated with hydrogen formation in sulfur deprived Chlamydomonas reinhardtii

Volgusheva, Alena; Kruse, Olaf; Styring, Stenbjörn; Mamedov, Fikret

Part of Algal Research, p. 296-304, 2016.

DOI for Changes in the Photosystem II complex associated with hydrogen formation in sulfur deprived Chlamydomonas reinhardtii

Characterization of a monocyanide model of FeFe hydrogenases - highlighting the importance of the bridgehead nitrogen for catalysis

Esmieu, Charlène; Berggren, Gustav

Part of Dalton Transactions, p. 19242-19248, 2016.

DOI for Characterization of a monocyanide model of FeFe hydrogenases - highlighting the importance of the bridgehead nitrogen for catalysis Download full text (pdf) of Characterization of a monocyanide model of FeFe hydrogenases - highlighting the importance of the bridgehead nitrogen for catalysis

Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra

Pinjari, Rahul V.; Delcey, Mickaël G.; Guo, Meiyuan; Odelius, Michael et al.

Part of Journal of Computational Chemistry, p. 477-486, 2016.

DOI for Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra Download full text (pdf) of Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra

Estimation of the driving force for dioxygen formation in photosynthesis

Nilsson, Hakan; Cournac, Laurent; Rappaport, Fabrice; Messinger, Johannes et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 23-33, 2016.

DOI for Estimation of the driving force for dioxygen formation in photosynthesis

Gernot Renger (1937-2013): his life, Max-Volmer Laboratory, and photosynthesis research

Siggel, Ulrich; Schmitt, Franz-Josef; Messinger, Johannes

Part of Photosynthesis Research, p. 109-127, 2016.

DOI for Gernot Renger (1937-2013): his life, Max-Volmer Laboratory, and photosynthesis research

Homogeneous Cobalt/Vanadium Complexes as Precursors for Functionalized Mixed Oxides in Visible-Light-Driven Water Oxidation

Pavliuk, Mariia V.; Mijangos, Edgar; Makhankova, Valeriya G.; Kokozay, Vladimir N. et al.

Part of ChemSusChem, p. 2957-2966, 2016.

DOI for Homogeneous Cobalt/Vanadium Complexes as Precursors for Functionalized Mixed Oxides in Visible-Light-Driven Water Oxidation

Maghemite nanorods anchored on a 3D nitrogen-doped carbon nanotubes substrate as scalable direct electrode for water oxidation

Sharifi, Tiva; Kwong, Wai Ling; Berends, Hans-Martin; Larsen, Christian et al.

Part of International journal of hydrogen energy, p. 69-78, 2016.

DOI for Maghemite nanorods anchored on a 3D nitrogen-doped carbon nanotubes substrate as scalable direct electrode for water oxidation

Mechanisms of Tenebrescence and Persistent Luminescence in Synthetic Hackmanite Na8Al6Si6O24(Cl,S)(2)

Norrbo, Isabella; Gluchowski, Pawel; Hyppanen, Iko; Laihinen, Tero et al.

Part of ACS Applied Materials and Interfaces, p. 11592-11602, 2016.

DOI for Mechanisms of Tenebrescence and Persistent Luminescence in Synthetic Hackmanite Na8Al6Si6O24(Cl,S)(2)

Molecular orbital simulations of metal 1s2p resonant inelastic X-ray scattering

Guo, Meiyuan; Erik, Källman; Sørensen, Lasse Kragh; Delcey, Mickaël G. et al.

Part of Journal of Physical Chemistry A, p. 5848-5855, 2016.

DOI for Molecular orbital simulations of metal 1s2p resonant inelastic X-ray scattering Download full text (pdf) of Molecular orbital simulations of metal 1s2p resonant inelastic X-ray scattering

No observable conformational changes in PSII

Sauter, Nicholas K.; Echols, Nathaniel; Adams, Paul D.; Zwart, Petrus H. et al.

Part of Nature, p. E1-E2, 2016.

DOI for No observable conformational changes in PSII

Optimizing the Metal Ratio in Nickel-Iron Phosphide Electrodes for Stable and Efficient Electrocatalytic Hydrogen Evolution

Messinger, Johannes

2016.

Photodamage of iron–sulphur clusters in photosystem I induces non-photochemical energy dissipation

Tiwari, Arjun; Mamedov, Fikret; Grieco, Michele; Suorsa, Marjaana et al.

Part of Nature Plants, 2016.

DOI for Photodamage of iron–sulphur clusters in photosystem I induces non-photochemical energy dissipation

Photosystem II Repair and Plant Immunity: Lessons Learned from Arabidopsis Mutant Lacking the THYLAKOID LUMEN PROTEIN 18.3

Jarvi, Sari; Isojarvi, Janne; Kangasjarvi, Saijaliisa; Salojarvi, Jarkko et al.

Part of Frontiers in Plant Science, 2016.

DOI for Photosystem II Repair and Plant Immunity: Lessons Learned from Arabidopsis Mutant Lacking the THYLAKOID LUMEN PROTEIN 18.3 Download full text (pdf) of Photosystem II Repair and Plant Immunity: Lessons Learned from Arabidopsis Mutant Lacking the THYLAKOID LUMEN PROTEIN 18.3

Photosystem II repair and plant immunity: Lessons learned from Arabidopsis mutant lacking the thylakoid lumen protein 18.3

Järvi, Sari; Isojärvi, Janne; Kangasjärvi, Säijaliisa; Salojärvi, Jarkko et al.

Part of Frontiers in Plant Science, 2016.

DOI for Photosystem II repair and plant immunity: Lessons learned from Arabidopsis mutant lacking the thylakoid lumen protein 18.3 Download full text (pdf) of Photosystem II repair and plant immunity: Lessons learned from Arabidopsis mutant lacking the thylakoid lumen protein 18.3

Probing S-state advancements and recombination pathways in photosystem II with a global fit program for flash-induced oxygen evolution pattern

Pham, Long Vo; Messinger, Johannes

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 848-859, 2016.

DOI for Probing S-state advancements and recombination pathways in photosystem II with a global fit program for flash-induced oxygen evolution pattern

Protein effects in non-heme iron enzyme catalysis: insights from multiscale models

Vedin, Nathalie Proos; Lundberg, Marcus

Part of Journal of Biological Inorganic Chemistry, p. 645-657, 2016.

DOI for Protein effects in non-heme iron enzyme catalysis: insights from multiscale models Download full text (pdf) of Protein effects in non-heme iron enzyme catalysis: insights from multiscale models

Room-Temperature Energy-Sampling K beta X-ray Emission Spectroscopy of the Mn4Ca Complex of Photosynthesis Reveals Three Manganese-Centered Oxidation Steps and Suggests a Coordination Change Prior to O-2 Formation

Zaharieva, Ivelina; Chernev, Petko; Berggren, Gustav; Anderlund, Magnus et al.

Part of Biochemistry, p. 4197-4211, 2016.

DOI for Room-Temperature Energy-Sampling K beta X-ray Emission Spectroscopy of the Mn4Ca Complex of Photosynthesis Reveals Three Manganese-Centered Oxidation Steps and Suggests a Coordination Change Prior to O-2 Formation

Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method

Guo, Meiyuan; Sörensen, Lasse Kragh; Delcey, Mickaël G.; Pinjari, Rahul V. et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 3250-3259, 2016.

DOI for Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method Download full text (pdf) of Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method

Structure of photosystem II and substrate binding at room temperature

Young, Iris D.; Ibrahim, Mohamed; Chatterjee, Ruchira; Gul, Sheraz et al.

Part of Nature, p. 453-457, 2016.

DOI for Structure of photosystem II and substrate binding at room temperature

Studentmedverkan i utvecklingen av kursen ”Fysik för kemister”

Bengtson, Charlotta; Lundberg, Marcus

Part of För pedagogisk utveckling tillsammans, p. 20-26, 2016.

Download full text (pdf) of Studentmedverkan i utvecklingen av kursen ”Fysik för kemister”

The PsbY protein of Arabidopsis Photosystem II is important for the redox control of cytochrome b(559)

von Sydow, Lotta; Schwenkert, Serena; Meurer, Joerg; Funk, Christiane et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1524-1533, 2016.

DOI for The PsbY protein of Arabidopsis Photosystem II is important for the redox control of cytochrome b(559)

The two Dps proteins, NpDps2 and NpDps5, are involved in light-induced oxidative stress tolerance in the N2-fixing cyanobacterium Nostoc punctiforme

Moparthi, Vamsi; Li, Xin; Vavitsas, Konstantinos; Dzhygyr, Ievgen et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1766-1776, 2016.

DOI for The two Dps proteins, NpDps2 and NpDps5, are involved in light-induced oxidative stress tolerance in the N2-fixing cyanobacterium Nostoc punctiforme

Thylakoid membrane function in heterocysts

Magnuson, Ann; Cardona, Tanai

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 309-319, 2016.

DOI for Thylakoid membrane function in heterocysts

Toward a Low-Cost Artificial Leaf: Driving Carbon-Based and Bifunctional Catalyst Electrodes with Solution-Processed Perovskite Photovoltaics

Sharifi, Tiva; Larsen, Christian; Wang, Jia; Kwong, Wai Ling et al.

Part of Advanced Energy Materials, 2016.

DOI for Toward a Low-Cost Artificial Leaf: Driving Carbon-Based and Bifunctional Catalyst Electrodes with Solution-Processed Perovskite Photovoltaics

Towards characterization of photo-excited electron transfer and catalysis in natural and artificial systems using XFELs

Alonso-Mori, R.; Asa, K.; Bergmann, U.; Brewster, A. S. et al.

Part of Faraday discussions, p. 621-638, 2016.

DOI for Towards characterization of photo-excited electron transfer and catalysis in natural and artificial systems using XFELs

Transparent Nanoparticulate FeOOH Improves the Performance of a WO₃ Photoanode in a Tandem Water-Splitting Device

Kwong, Wai Ling; Lee, Cheng Choo; Messinger, Johannes

Part of The Journal of Physical Chemistry C, p. 10941-10950, 2016.

DOI for Transparent Nanoparticulate FeOOH Improves the Performance of a WO₃ Photoanode in a Tandem Water-Splitting Device

Turning around the electron flow in an uptake hydrogenase. EPR spectroscopy and in vivo activity of a designed mutant in HupSL from Nostoc punctiforme†

Raleiras, Patricia; Khanna, Namita; Hélder, Miranda; Mészáros, Lívia S.

Part of The Royal Society of Chemistry, p. 581-594, 2016.

DOI for Turning around the electron flow in an uptake hydrogenase. EPR spectroscopy and in vivo activity of a designed mutant in HupSL from Nostoc punctiforme†

Turning around the electron flow in an uptake hydrogenase. EPR spectroscopy and in vivo activity of a designed mutant in HupSL from Nostoc punctiforme

Raleiras, Patrícia; Khanna, Namita; Miranda, Helder; Meszaros, Livia S. et al.

Part of Energy & Environmental Science, p. 581-594, 2016.

DOI for Turning around the electron flow in an uptake hydrogenase. EPR spectroscopy and in vivo activity of a designed mutant in HupSL from Nostoc punctiforme

Turning around the electron flow in an uptake hydrogenase. EPR spectroscopy and in vivo activity of a designed mutant in HupSL from Nostoc punctiforme

Raleiras, Patrícia; Khanna, Namita; Miranda, Hélder; Mészáros, Lívia S. et al.

Part of Energy & Environmental Science, p. 581-594, 2016.

DOI for Turning around the electron flow in an uptake hydrogenase. EPR spectroscopy and in vivo activity of a designed mutant in HupSL from Nostoc punctiforme

Ultra long-lived electron-hole separation within water-soluble colloidal ZnO nanocrystals: Prospective Applications For Solar Energy Production

Cieslak, Anna M.; Pavliuk, Mariia V.; D'Amario, Luca; Abdellah, Mohamed et al.

Part of Nano Energy, p. 187-192, 2016.

DOI for Ultra long-lived electron-hole separation within water-soluble colloidal ZnO nanocrystals: Prospective Applications For Solar Energy Production

Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives

Kunnus, Kristjan; Zhang, Wenkai; Delcey, Mickael G.; Pinjari, Rahul V. et al.

Part of Journal of Physical Chemistry B, p. 7182-7194, 2016.

DOI for Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives Download full text (pdf) of Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives

X-Ray Absorption and RIXS on Coordination Complexes

Kroll, Thomas; Lundberg, Marcus; Solomon, Edward I.

Part of X-Ray Absorption and X-Ray Emission Spectroscopy: Theory and Applications, p. 407-435, 2016.

DOI for X-Ray Absorption and RIXS on Coordination Complexes

A Systematic Comparative Study of Hydrogen-Evolving Molecular Catalysts in Aqueous Solutions

Roy, Souvik; Bacchi, Marine; Berggren, Gustav; Artero, Vincent

Part of ChemSusChem, p. 3632-3638, 2015.

DOI for A Systematic Comparative Study of Hydrogen-Evolving Molecular Catalysts in Aqueous Solutions

Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii

Benlloch, Reyes; Shevela, Dmitriy; Hainzl, Tobias; Grundstrom, Christin et al.

Part of Plant Physiology, p. 950-+, 2015.

DOI for Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii

Delayed fluorescence in a millisecond range: a probe for the donor side-induced photoinhibition in photosystem II

Gasanov, Ralphreed; Aliyeva, Samira; Mamedov, Fikret

Part of Photosynthesis, p. 101-107, 2015.

Expression and characterization of manganese lipoxygenase of the rice blast fungus reveals prominent sequential lipoxygenation of α-linolenic acid

Wennman, Anneli; Jernerén, Fredrik; Magnuson, Ann; Oliw, Ernst H

Part of Archives of Biochemistry and Biophysics, p. 87-95, 2015.

DOI for Expression and characterization of manganese lipoxygenase of the rice blast fungus reveals prominent sequential lipoxygenation of α-linolenic acid

First turnover analysis of water-oxidation catalyzed by Co-oxide nanoparticles

Koroidov, Sergey; Anderlund, Magnus F.; Styring, Stenbjörn; Thapper, Anders et al.

Part of Energy & Environmental Science, p. 2492-2503, 2015.

DOI for First turnover analysis of water-oxidation catalyzed by Co-oxide nanoparticles Download full text (pdf) of First turnover analysis of water-oxidation catalyzed by Co-oxide nanoparticles

From Enzyme Maturation to Synthetic Chemistry: The Case of Hydrogenases

Artero, Vincent; Berggren, Gustav; Atta, Mohamed; Caserta, Giorgio et al.

Part of Accounts of Chemical Research, p. 2380-2387, 2015.

DOI for From Enzyme Maturation to Synthetic Chemistry: The Case of Hydrogenases

Hydrogen photoproduction in green algae Chlamydomonas reinhardtii under magnesium deprivation

Volgusheva, Alena; Kukharskikh, Galina; Krendeleva, Tatyana; Rubin, Andrei et al.

Part of RSC Advances, p. 5633-5637, 2015.

DOI for Hydrogen photoproduction in green algae Chlamydomonas reinhardtii under magnesium deprivation

Iron sensitizer converts light to electrons with 92% yield

Harlang, Tobias C. B.; Liu, Yizhu; Gordivska, Olga; Fredin, Lisa A. et al.

Part of Nature Chemistry, p. 883-889, 2015.

DOI for Iron sensitizer converts light to electrons with 92% yield

Light acclimation involves dynamic re-organization of the pigment-protein megacomplexes in non-appressed thylakoid domains

Suorsa, Marjaana; Rantala, Marjaana; Mamedov, Fikret; Lespinasse, Maija et al.

Part of The Plant Journal, p. 360-373, 2015.

DOI for Light acclimation involves dynamic re-organization of the pigment-protein megacomplexes in non-appressed thylakoid domains

Manganese lipoxygenase of F. oxysporum and the structural basis for biosynthesis of distinct 11-hydroperoxy stereoisomers

Wennman, Anneli; Magnuson, Ann; Hamberg, Mats; Oliw, Ernst H.

Part of Journal of Lipid Research, p. 1606-1615, 2015.

DOI for Manganese lipoxygenase of F. oxysporum and the structural basis for biosynthesis of distinct 11-hydroperoxy stereoisomers

Mechanisms for the Breakdown of Halomethanes through Reactions with Ground-State Cyano Radicals

Farahani, Pooria; Maeda, Satoshi; Fancisco, Joseph S.; Lundberg, Marcus

Part of ChemPhysChem, p. 181-190, 2015.

DOI for Mechanisms for the Breakdown of Halomethanes through Reactions with Ground-State Cyano Radicals Download full text (pdf) of Mechanisms for the Breakdown of Halomethanes through Reactions with Ground-State Cyano Radicals

Metal oxidation states in biological water splitting

Krewald, Vera; Retegan, Marius; Cox, Nicholas; Messinger, Johannes et al.

Part of Chemical Science, p. 1676-1695, 2015.

DOI for Metal oxidation states in biological water splitting

Photoinduced reduction of the medial FeS center in the hydrogenase small subunit HupS from Nostoc punctiforme

Raleiras, Patrícia; Hammarström, Leif; Lindblad, Peter; Styring, Stenbjörn et al.

Part of Journal of Inorganic Biochemistry, p. 57-61, 2015.

DOI for Photoinduced reduction of the medial FeS center in the hydrogenase small subunit HupS from Nostoc punctiforme

Photosystem II protein 33, a protein conserved in the plastid lineage, is associated with the chloroplast thylakoid membrane and provides stability to photosystem II supercomplexes in Arabidopsis

Fristedt, Rikard; Herdean, Andrei; Blaby-Haas, Crysten; Mamedov, Fikret et al.

Part of Plant Physiology, p. 481-492, 2015.

DOI for Photosystem II protein 33, a protein conserved in the plastid lineage, is associated with the chloroplast thylakoid membrane and provides stability to photosystem II supercomplexes in Arabidopsis

Structural, magnetic, thermal and visible light-driven water oxidation studies of heterometallic Mn/V complexes

Pavliuk, Mariia V.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Irina V. et al.

Part of Polyhedron, p. 81-89, 2015.

DOI for Structural, magnetic, thermal and visible light-driven water oxidation studies of heterometallic Mn/V complexes

The Origin and Evolution of Ribonucleotide Reduction

Lundin, Daniel; Berggren, Gustav; Logan, Derek; Sjöberg, Britt-Marie

Part of Life, p. 604-636, 2015.

Theoretical study of the dark photochemistry of 1,3-butadiene via the chemiexcitation of Dewar dioxetane

Farahani, Pooria; Lundberg, Marcus; Lindh, Roland; Roca-Sanjuan, Daniel

Part of Physical Chemistry, Chemical Physics - PCCP, p. 18653-18664, 2015.

DOI for Theoretical study of the dark photochemistry of 1,3-butadiene via the chemiexcitation of Dewar dioxetane Download full text (pdf) of Theoretical study of the dark photochemistry of 1,3-butadiene via the chemiexcitation of Dewar dioxetane

A Ru-Co hybrid material based on a molecular photosensitizer and a heterogeneous catalyst for light-driven water oxidation

Wang, Hong-Yan; Liu, Jia; Zhu, Jiefang; Styring, Stenbjorn et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 3661-3669, 2014.

DOI for A Ru-Co hybrid material based on a molecular photosensitizer and a heterogeneous catalyst for light-driven water oxidation

A Tandem Mass Spectrometric Method for Singlet Oxygen Measurement

Karonen, Maarit; Mattila, Heta; Huang, Ping; Mamedov, Fikret et al.

Part of Photochemistry and Photobiology, p. 965-971, 2014.

DOI for A Tandem Mass Spectrometric Method for Singlet Oxygen Measurement

An EPR/HYSCORE, Mossbauer, and resonance Raman study of the hydrogenase maturation enzyme HydF: a model for N-coordination to 4Fe-4S clusters

Berggren, Gustav; Garcia-Serres, Ricardo; Brazzolotto, Xavier; Clemancey, Martin et al.

Part of Journal of Biological Inorganic Chemistry, p. 75-84, 2014.

Artificial Photosynthesis

Styring, Stenbjörn; Thapper, Anders; Lomoth, Reiner

Part of Encyclopedia of Applied Electrochemistry, p. 107-114, 2014.

DOI for Artificial Photosynthesis

Cobaloxime-Based Artificial Hydrogenases

Bacchi, Marine; Berggren, Gustav; Niklas, Jens; Veinberg, Elias et al.

Part of Inorganic Chemistry, p. 8071-8082, 2014.

DOI for Cobaloxime-Based Artificial Hydrogenases

Dark-adapted spinach thylakoid protein heterogeneity offers insights into the Photosystem II repair cycle

Suorsa, M; Rantala, M.; Danielsson, R; Järvi, S. et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1463-1471, 2014.

DOI for Dark-adapted spinach thylakoid protein heterogeneity offers insights into the Photosystem II repair cycle

Defining the Far-red Limit of Photosystem I THE PRIMARY CHARGE SEPARATION IS FUNCTIONAL TO 840 nm

Mokvist, Fredrik; Mamedov, Fikret; Styring, Stenbjörn

Part of Journal of Biological Chemistry, p. 24630-24639, 2014.

DOI for Defining the Far-red Limit of Photosystem I THE PRIMARY CHARGE SEPARATION IS FUNCTIONAL TO 840 nm

Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity

Arafa, Wael A. A.; Karkas, Markus D.; Lee, Bao-Lin; Akermark, Torbjorn et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 11950-11964, 2014.

DOI for Dinuclear manganese complexes for water oxidation: evaluation of electronic effects and catalytic activity

Electrochemically produced hydrogen peroxide affects Joliot-type oxygen-evolution measurements of photosystem II

Pham, Long Vo; Messinger, Johannes

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1411-1416, 2014.

DOI for Electrochemically produced hydrogen peroxide affects Joliot-type oxygen-evolution measurements of photosystem II

Evidence for non-cysteinyl coordination of the iron-sulfur clusters of HupS, the small subunit of the uptake hydrogenase from Nostoc punctiforme

Raleiras, Patricia; Kellers, P.; Lindblad, Peter; Styring, Stenbjörn et al.

Part of Journal of Biological Inorganic Chemistry, p. S259-S259, 2014.

Fuels from solar energy and water-from natural to artificial photosynthesis

Styring, Stenbjorn

Part of Journal of Biological Inorganic Chemistry, p. 721-, 2014.

Hydration of the oxygen-evolving complex of photosystem II probed in the dark-stable S₁ state using proton NMR dispersion profiles

Han, Guangye; Huang, Yang; Koua, Faisal Hammad Mekky; Shen, Jian-Ren et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 11924-11935, 2014.

DOI for Hydration of the oxygen-evolving complex of photosystem II probed in the dark-stable S₁ state using proton NMR dispersion profiles

Improving BiVO₄ photoanodes for solar water splitting through surface passivation

Liang, Yongqi; Messinger, Johannes

Part of Physical Chemistry, Chemical Physics - PCCP, p. 12014-12020, 2014.

DOI for Improving BiVO₄ photoanodes for solar water splitting through surface passivation

Laser flash photolysis induced electron transfer in the isolated uptake hydrogenase subunit HupS studied by EPR spectroscopy

Magnuson, Ann; Raleiras, Patricia; Hammarström, Leif; Styring, Stenbjörn

Part of Journal of Biological Inorganic Chemistry, p. 851-, 2014.

Light-induced water oxidation in photosynthesis

Lubitz, W.; Cox, N.; Rapatskiy, L.; Lohmiller, T. et al.

Part of Journal of Biological Inorganic Chemistry, p. S350-S350, 2014.

Mimicking hydrogenases: From biomimetics to artificial enzymes

Simmons, Trevor R.; Berggren, Gustav; Bacchi, Marine; Fontecave, Marc et al.

Part of Coordination chemistry reviews, p. 127-150, 2014.

Mobile hydrogen carbonate acts as proton acceptor in photosynthetic water oxidation

Koroidov, Sergey; Shevela, Dmitriy; Shutova, Tatiana; Samuelsson, Goran et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 6299-6304, 2014.

DOI for Mobile hydrogen carbonate acts as proton acceptor in photosynthetic water oxidation

Photosynthesis: from natural to artificial

Messinger, Johannes; Lubitz, Wolfgang; Shen, Jian-Ren

Part of Physical Chemistry, Chemical Physics - PCCP, p. 11810-11811, 2014.

DOI for Photosynthesis: from natural to artificial

Quantitative determination of the Ru(bpy)(3)(2+) cation in photochemical reactions by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

Bergman, Nina; Thapper, Anders; Styring, Stenbjorn; Bergquist, Jonas et al.

Part of Analytical Methods, p. 8513-8518, 2014.

DOI for Quantitative determination of the Ru(bpy)(3)(2+) cation in photochemical reactions by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

Resonant Inelastic X-ray Scattering on Ferrous and Ferric bis-imidazole Porphyrin and Cytochrome c: Nature and Role of the Axial Methionine-Fe Bond

Kroll, Thomas; Hadt, Ryan G; Wilson, Samuel A; Lundberg, Marcus et al.

Part of Journal of the American Chemical Society, p. 18087-18099, 2014.

DOI for Resonant Inelastic X-ray Scattering on Ferrous and Ferric bis-imidazole Porphyrin and Cytochrome c: Nature and Role of the Axial Methionine-Fe Bond Download full text (pdf) of Resonant Inelastic X-ray Scattering on Ferrous and Ferric bis-imidazole Porphyrin and Cytochrome c: Nature and Role of the Axial Methionine-Fe Bond

Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

Pinjari, Rahul V.; Delcey, Mickaël G.; Guo, Meiyuan; Odelius, Michael et al.

Part of Journal of Chemical Physics, 2014.

DOI for Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states Download full text 1 (pdf) of Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states Download full text 2 (pdf) of Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

Role of Substrate Positioning in the Catalytic Reaction of 4-Hydroxyphenylpyruvate Dioxygenase-A QM/MM Study

Wojcik, Anna; Broclawik, Ewa; Siegbahn, Per E. M.; Lundberg, Marcus et al.

Part of Journal of the American Chemical Society, p. 14472-14485, 2014.

DOI for Role of Substrate Positioning in the Catalytic Reaction of 4-Hydroxyphenylpyruvate Dioxygenase-A QM/MM Study Download full text (pdf) of Role of Substrate Positioning in the Catalytic Reaction of 4-Hydroxyphenylpyruvate Dioxygenase-A QM/MM Study

Semiquinone-Induced Maturation of Bacillus anthracis Ribonucleotide Reductase by a Superoxide Intermediate

Berggren, Gustav; Duraffourg, Nicolas; Sahlin, Margareta; Sjoberg, Britt-Marie

Part of Journal of Biological Chemistry, 2014.

Spectroscopic Evidence for a Redox-Controlled Proton Gate at Tyrosine D in Photosystem II

Sjöholm, Johannes; Mamedov, Fikret; Styring, Stenbjörn

Part of Biochemistry, p. 5721-5723, 2014.

DOI for Spectroscopic Evidence for a Redox-Controlled Proton Gate at Tyrosine D in Photosystem II

Studenter som undervisar lär sig på djupet

Lundberg, Marcus

Part of I stort och smått– med studenten i fokus, p. 231-239, 2014.

Download full text (pdf) of Studenter som undervisar lär sig på djupet

Substrate water exchange in photosystem II core complexes of the extremophilic red alga Cyanidioschyzon merolae

Nilsson, Hakan; Krupnik, Tomasz; Kargul, Joanna; Messinger, Johannes

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1257-1262, 2014.

DOI for Substrate water exchange in photosystem II core complexes of the extremophilic red alga Cyanidioschyzon merolae

Substrate-water exchange in photosystem II is arrested before dioxygen formation

Nilsson, Hakan; Rappaport, Fabrice; Boussac, Alain; Messinger, Johannes

Part of Nature Communications, 2014.

DOI for Substrate-water exchange in photosystem II is arrested before dioxygen formation

The Mn₄Ca photosynthetic water-oxidation catalyst studied by simultaneous X-ray spectroscopy and crystallography using an X-ray free-electron laser

Tran, Rosalie; Kern, Jan; Hattne, Johan; Koroidov, Sergey et al.

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, 2014.

DOI for The Mn₄Ca photosynthetic water-oxidation catalyst studied by simultaneous X-ray spectroscopy and crystallography using an X-ray free-electron laser

The photochemistry in photosystem II at 5 K is different in visible and far-red light

Mokvist, Fredrik; Sjöholm, Johannes; Mamedov, Fikret; Styring, Stenbjörn

Part of Biochemistry, p. 4228-4238, 2014.

DOI for The photochemistry in photosystem II at 5 K is different in visible and far-red light

Theoretical investigation of molecular and electronic structure changes of the molecular magnet Mn-12 cluster upon super-reduction

Nishimoto, Yoshio; Yoshikawa, Hirofumi; Awaga, Kunio; Lundberg, Marcus et al.

Part of Physica Status Solidi. Rapid Research Letters, p. 517-521, 2014.

DOI for Theoretical investigation of molecular and electronic structure changes of the molecular magnet Mn-12 cluster upon super-reduction Download full text (pdf) of Theoretical investigation of molecular and electronic structure changes of the molecular magnet Mn-12 cluster upon super-reduction

Warwick Hillier: a tribute

Messinger, Johannes; Debus, Richard; Dismukes, G. Charles

Part of Photosynthesis Research, p. 1-11, 2014.

DOI for Warwick Hillier: a tribute

Water oxidation by manganese oxides formed from tetranuclear precursor complexes: the influence of phosphate on structure and activity

Shevchenko, Denys; Anderlund, Magnus F.; Styring, Stenbjorn; Dau, Holger et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 11965-11975, 2014.

DOI for Water oxidation by manganese oxides formed from tetranuclear precursor complexes: the influence of phosphate on structure and activity

Ab initio quantum mechanical calculation of the reaction probability for the Cl- + PH2Cl -> ClPH2 + Cl- reaction

Farahani, Pooria; Lundberg, Marcus; Karlsson, Hans O.

Part of Chemical Physics, p. 134-140, 2013.

DOI for Ab initio quantum mechanical calculation of the reaction probability for the Cl- + PH2Cl -> ClPH2 + Cl- reaction Download full text (pdf) of Ab initio quantum mechanical calculation of the reaction probability for the Cl- + PH2Cl -> ClPH2 + Cl- reaction

Ammonia binding to the oxygen-evolving complex of photosystem II identifies the solvent-exchangeable oxygen bridge (μ-oxo) of the manganese tetramer

Navarro, Montserrat Perez; Ames, William M.; Nilsson, Hakan; Lohmiller, Thomas et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 15561-15566, 2013.

DOI for Ammonia binding to the oxygen-evolving complex of photosystem II identifies the solvent-exchangeable oxygen bridge (μ-oxo) of the manganese tetramer

Artificial photosynthesis as a frontier technology for energy sustainability

Faunce, Thomas; Styring, Stenbjörn; Wasielewski, Michael R.; Brudvig, Gary W. et al.

Part of Energy & Environmental Science, p. 1074-1076, 2013.

DOI for Artificial photosynthesis as a frontier technology for energy sustainability

Artificial Photosynthesis for Solar Fuels – an Evolving Research Field within AMPEA, a Joint Programme of the European Energy Research Alliance

Thapper, Anders; Styring, Stenbjörn; Saracco, Guido; Rutherford, A. William et al.

Part of Green, p. 43-57, 2013.

DOI for Artificial Photosynthesis for Solar Fuels – an Evolving Research Field within AMPEA, a Joint Programme of the European Energy Research Alliance

Biomimetic assembly and activation of [FeFe]-hydrogenases

Berggren, Gustav; Adamska, A.; Lambertz, C.; Simmons, T. R. et al.

Part of Nature, p. 66-69, 2013.

DOI for Biomimetic assembly and activation of [FeFe]-hydrogenases

Efficiency of photosynthetic water oxidation at ambient and depleted levels of inorganic carbon

Shevela, Dmitriy; Noering, Birgit; Koroidov, Sergey; Shutova, Tatiana et al.

Part of Photosynthesis Research, p. 401-412, 2013.

DOI for Efficiency of photosynthetic water oxidation at ambient and depleted levels of inorganic carbon

Electron transfer from Cyt b (559) and tyrosine-D to the S-2 and S-3 states of the water oxidizing complex in photosystem II at cryogenic temperatures

Feyziyev, Yashar; Deak, Zsuzsanna; Styring, Stenbjorn; Bernat, Gabor

Part of Journal of Bioenergetics and Biomembranes, p. 111-120, 2013.

DOI for Electron transfer from Cyt b (559) and tyrosine-D to the S-2 and S-3 states of the water oxidizing complex in photosystem II at cryogenic temperatures

Electronic Structural Changes of Mn in the Oxygen-Evolving Complex of Photosystem II during the Catalytic Cycle

Glatzel, Pieter; Schroeder, Henning; Pushkar, Yulia; Boron, Thaddeus, III et al.

Part of Inorganic Chemistry, p. 5642-5644, 2013.

DOI for Electronic Structural Changes of Mn in the Oxygen-Evolving Complex of Photosystem II during the Catalytic Cycle

Energy and environment policy case for a global project on artificial photosynthesis

Faunce, Thomas A.; Lubitz, Wolfgang; Rutherford, A. W. Bill; MacFarlane, Douglas et al.

Part of Energy & Environmental Science, p. 695-698, 2013.

DOI for Energy and environment policy case for a global project on artificial photosynthesis

Increased photosystem II stability promotes H-2 production in sulfur-deprived Chlamydomonas reinhardtii

Volgusheva, Alena; Styring, Stenbjörn; Mamedov, Fikret

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 7223-7228, 2013.

DOI for Increased photosystem II stability promotes H-2 production in sulfur-deprived Chlamydomonas reinhardtii Download full text (pdf) of Increased photosystem II stability promotes H-2 production in sulfur-deprived Chlamydomonas reinhardtii

Iron L-edge X-ray Absorption Spectroscopy of Oxy-Picket Fence Porphyrin: Electronic Structure of the Fe-O₂ Bond

Wilson, Samuel; Kroll, Thomas; Decreau, Richard; Hocking, Rosalie et al.

Part of Journal of the American Chemical Society, p. 1124-1136, 2013.

DOI for Iron L-edge X-ray Absorption Spectroscopy of Oxy-Picket Fence Porphyrin: Electronic Structure of the Fe-O₂ Bond Download full text (pdf) of Iron L-edge X-ray Absorption Spectroscopy of Oxy-Picket Fence Porphyrin: Electronic Structure of the Fe-O₂ Bond

Isolation and Characterization of the Small Subunit of the Uptake Hydrogenase from the Cyanobacterium Nostoc punctiforme.

Raleiras, Patricia; Kellers, Petra; Lindblad, Peter; Styring, Stenbjörn et al.

Part of Journal of Biological Chemistry, p. 18345-18352, 2013.

DOI for Isolation and Characterization of the Small Subunit of the Uptake Hydrogenase from the Cyanobacterium Nostoc punctiforme.

L-Edge X-ray Absorption Spectroscopy of Dilute Systems Relevant to Metalloproteins Using an X-ray Free-Electron Laser

Mitzner, Rolf; Rehanek, Jens; Kern, Jan; Gul, Sheraz et al.

Part of Journal of Physical Chemistry Letters, p. 3641-3647, 2013.

DOI for L-Edge X-ray Absorption Spectroscopy of Dilute Systems Relevant to Metalloproteins Using an X-ray Free-Electron Laser

Metal-ligand Covalency of Iron Complexes from High-Resolution Resonant Inelastic X-ray Scattering

Lundberg, Marcus; Kroll, Thomas; DeBeer, Serena; Bergmann, Uwe et al.

Part of Journal of the American Chemical Society, p. 17121-17134, 2013.

DOI for Metal-ligand Covalency of Iron Complexes from High-Resolution Resonant Inelastic X-ray Scattering Download full text (pdf) of Metal-ligand Covalency of Iron Complexes from High-Resolution Resonant Inelastic X-ray Scattering

Oxoferryl species in mononuclear non-heme iron enzymes: biosynthesis, properties and reactivity from a theoretical perspective

Lundberg, Marcus; Borowski, Tomasz

Part of Coordination chemistry reviews, p. 277-289, 2013.

DOI for Oxoferryl species in mononuclear non-heme iron enzymes: biosynthesis, properties and reactivity from a theoretical perspective Download full text (pdf) of Oxoferryl species in mononuclear non-heme iron enzymes: biosynthesis, properties and reactivity from a theoretical perspective

Proton/Hydrogen Transfer Mechanisms in the Guanine-€“Cytosine Base Pair: Photostability and Tautomerism

Sauri, Vicenta; Gobbo, João P.; Serrano-Pérez, Juan J.; Lundberg, Marcus et al.

Part of Journal of Chemical Theory and Computation, p. 481-496, 2013.

DOI for Proton/Hydrogen Transfer Mechanisms in the Guanine-€“Cytosine Base Pair: Photostability and Tautomerism Download full text (pdf) of Proton/Hydrogen Transfer Mechanisms in the Guanine-€“Cytosine Base Pair: Photostability and Tautomerism

Reflections on substrate water and dioxygen formation

Cox, Nicholas; Messinger, Johannes

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1020-1030, 2013.

DOI for Reflections on substrate water and dioxygen formation

Split Electron Paramagnetic Resonance Signal Induction in Photosystem II Suggests Two Binding Sites in the S-2 State for the Substrate Analogue Methanol

Sjöholm, Johannes; Chen, Guiying; Ho, Felix; Mamedov, Fikret et al.

Part of Biochemistry, p. 3669-3677, 2013.

DOI for Split Electron Paramagnetic Resonance Signal Induction in Photosystem II Suggests Two Binding Sites in the S-2 State for the Substrate Analogue Methanol

Split Electron Paramagnetic Resonance signal induction in photosystem II suggests two binding sites in the S2 state for the substrate analogue methanol

Sjöholm, Johannes; Chen, Guiying; Ho, Felix; Mamedov, Fikret et al.

Part of Biochemistry, p. 3669-3677, 2013.

DOI for Split Electron Paramagnetic Resonance signal induction in photosystem II suggests two binding sites in the S2 state for the substrate analogue methanol

Spontaneous activation of [FeFe]-hydrogenases by an inorganic [2Fe] active site mimic

Esselborn, Julian; Lambertz, Camilla; Adamska-Venkatesh, Agnieszka; Simmons, Trevor et al.

Part of Nature Chemical Biology, p. 607-609, 2013.

DOI for Spontaneous activation of [FeFe]-hydrogenases by an inorganic [2Fe] active site mimic

Studying the oxidation of water to molecular oxygen in photosynthetic and artificial systems by time-resolved membrane-inlet mass spectrometry

Shevela, Dmitriy; Messinger, Johannes

Part of Frontiers in Plant Science, 2013.

DOI for Studying the oxidation of water to molecular oxygen in photosynthetic and artificial systems by time-resolved membrane-inlet mass spectrometry

Synthesis, crystal structure, mass spectrometry, electrochemistry and magnetism of a Mn-III-substituted trilacunary Keggin tungstosilicate

Shevchenko, Denys; Huang, Ping; Bon, Volodymyr V.; Anderlund, Magnus F. et al.

Part of Dalton Transactions, p. 5130-5139, 2013.

DOI for Synthesis, crystal structure, mass spectrometry, electrochemistry and magnetism of a Mn-III-substituted trilacunary Keggin tungstosilicate

4-Demethylwyosine Synthase from Pyrococcus abyssi Is a Radical-S-adenosyl-l-methionine Enzyme with an Additional [4Fe-4S]+2 Cluster That Interacts with the Pyruvate Co-substrate

Perche-Letuvée, Phanélie; Kathirvelu, Velavan; Berggren, Gustav; Clemancey, Martin et al.

Part of Journal of Biological Chemistry, p. 41174-41185, 2012.

An Institutional Approach to Solar Fuels Research

Messinger, Johannes

Part of Australian journal of chemistry (Print), p. 573-576, 2012.

DOI for An Institutional Approach to Solar Fuels Research

Artificial photosynthesis for solar fuels

Styring, Stenbjörn

Part of Faraday discussions, p. 357-376, 2012.

DOI for Artificial photosynthesis for solar fuels

Atomic structure of cobalt-oxide nanoparticles activein light-driven catalysis of water oxidation

Risch, Marcel; Shevchenko, Denys; Anderlund, Magnus F.; Styring, Stenbjörn et al.

Part of International journal of hydrogen energy, p. 8878-8888, 2012.

DOI for Atomic structure of cobalt-oxide nanoparticles activein light-driven catalysis of water oxidation

Comment on "€œDensity functional theory study of 1,2-€dioxetanone decomposition in condensed phase€"

Roca-Sanjuan, Daniel; Lundberg, Marcus; Mazziotti, D. A.; Lindh, Roland

Part of Journal of Computational Chemistry, p. 2124-2126, 2012.

DOI for Comment on "€œDensity functional theory study of 1,2-€dioxetanone decomposition in condensed phase€" Download full text (pdf) of Comment on "€œDensity functional theory study of 1,2-€dioxetanone decomposition in condensed phase€"

Delocalization errors in a hubbard-€like model: Consequences for density-€functional tight-€binding calculations of molecular systems

Lundberg, Marcus; Nishimoto, Y.; Irle, S.

Part of International Journal of Quantum Chemistry, p. 1701-1711, 2012.

DOI for Delocalization errors in a hubbard-€like model: Consequences for density-€functional tight-€binding calculations of molecular systems Download full text (pdf) of Delocalization errors in a hubbard-€like model: Consequences for density-€functional tight-€binding calculations of molecular systems

Detection of the Water-Binding Sites of the Oxygen-Evolving Complex of Photosystem II Using W-Band ¹⁷O Electron-Electron Double Resonance-Detected NMR Spectroscopy

Rapatskiy, Leonid; Cox, Nicholas; Savitsky, Anton; Ames, William M. et al.

Part of Journal of the American Chemical Society, p. 16619-16634, 2012.

DOI for Detection of the Water-Binding Sites of the Oxygen-Evolving Complex of Photosystem II Using W-Band ¹⁷O Electron-Electron Double Resonance-Detected NMR Spectroscopy

FTIR Study of Manganese Dimers with Carboxylate Donors As Model Complexes for the Water Oxidation Complex in Photosystem II

Berggren, Gustav; Anderlund, Magnus F.; Styring, Stenbjörn; Thapper, Anders

Part of Inorganic Chemistry, p. 2332-2337, 2012.

DOI for FTIR Study of Manganese Dimers with Carboxylate Donors As Model Complexes for the Water Oxidation Complex in Photosystem II

Misses during Water Oxidation in Photosystem II Are S State-dependent

Han, Guangye; Mamedov, Fikret; Styring, Stenbjörn

Part of Journal of Biological Chemistry, p. 13422-13429, 2012.

DOI for Misses during Water Oxidation in Photosystem II Are S State-dependent

Molecular Chemistry for Solar Fuels: From Natural to Artificial Photosynthesis

Magnuson, Ann; Styring, Stenbjörn

Part of Australian journal of chemistry (Print), p. 564-572, 2012.

DOI for Molecular Chemistry for Solar Fuels: From Natural to Artificial Photosynthesis

Photosynthetic O2 evolution

Messinger, Johannes; Noguchi, Takumi; Yano, Junko

Part of RSC Energy and Environment Series, p. 79-88, 2012.

Photosystem II Function and Dynamics in Three Widely Used Arabidopsis thaliana Accessions

Yin, Lan; Fristedt, Rikard; Herdean, Andrei; Solymosi, Katalin et al.

Part of PLOS ONE, p. e46206-, 2012.

DOI for Photosystem II Function and Dynamics in Three Widely Used Arabidopsis thaliana Accessions Download full text (pdf) of Photosystem II Function and Dynamics in Three Widely Used Arabidopsis thaliana Accessions

Probing the turnover efficiency of photosystem II membrane fragments with different electron acceptors

Shevela, Dmitriy; Messinger, Johannes

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1208-1212, 2012.

DOI for Probing the turnover efficiency of photosystem II membrane fragments with different electron acceptors

Solar Fuels: Vision and Concepts

Styring, Stenbjörn

Part of Ambio, p. 156-162, 2012.

DOI for Solar Fuels: Vision and Concepts

Stability of the S(3) and S(2) State Intermediates in Photosystem II Directly Probed by EPR Spectroscopy

Chen, Guiying; Han, Guangye; Göransson, Erik; Mamedov, Fikret et al.

Part of Biochemistry, p. 138-148, 2012.

DOI for Stability of the S(3) and S(2) State Intermediates in Photosystem II Directly Probed by EPR Spectroscopy

The Basic Properties of the Electronic Structure of the Oxygen-evolving Complex of Photosystem II Are Not Perturbed by Ca²⁺ Removal

Lohmiller, Thomas; Cox, Nicholas; Su, Ji-Hu; Messinger, Johannes et al.

Part of Journal of Biological Chemistry, p. 24721-24733, 2012.

DOI for The Basic Properties of the Electronic Structure of the Oxygen-evolving Complex of Photosystem II Are Not Perturbed by Ca²⁺ Removal

Two tyrosines that changed the world: Interfacing the oxidizing power of photochemistry to water splitting in photosystem II

Styring, Stenbjörn; Sjöholm, Johannes; Mamedov, Fikret

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 76-87, 2012.

DOI for Two tyrosines that changed the world: Interfacing the oxidizing power of photochemistry to water splitting in photosystem II

Understanding Cross-Boundary Events in ONIOM QM:QM' Calculations

Lundberg, Marcus

Part of Journal of Computational Chemistry, p. 406-415, 2012.

DOI for Understanding Cross-Boundary Events in ONIOM QM:QM' Calculations Download full text (pdf) of Understanding Cross-Boundary Events in ONIOM QM:QM' Calculations

Visible light induction of an EPR split signal in photosystem II in the S₂ state reveals the importance of charges in the oxygen evolving center during catalysis: a unifying model

Sjöholm, Johannes; Styring, Stenbjörn; Havelius, Kajsa G.V.; Ho, Felix M.

Part of Biochemistry, p. 2054-2064, 2012.

DOI for Visible light induction of an EPR split signal in photosystem II in the S₂ state reveals the importance of charges in the oxygen evolving center during catalysis: a unifying model

Calcium Manganese Oxides as Oxygen Evolution Catalysts: O₂ Formation Pathways Indicated by ¹⁸O-Labelling Studies

Shevela, Dmitriy; Koroidov, Sergey; Najafpour, M. Mahdi; Messinger, Johannes et al.

Part of Chemistry - A European Journal, p. 5415-5423, 2011.

DOI for Calcium Manganese Oxides as Oxygen Evolution Catalysts: O₂ Formation Pathways Indicated by ¹⁸O-Labelling Studies

Effect of Ca²⁺/Sr²⁺ Substitution on the Electronic Structure of the Oxygen-Evolving Complex of Photosystem II: A Combined Multifrequency EPR, ⁵⁵Mn-ENDOR, and DFT Study of the S₂ State

Cox, Nicholas; Rapatskiy, Leonid; Su, Ji-Hu; Pantazis, Dimitrios A. et al.

Part of Journal of the American Chemical Society, p. 3635-3648, 2011.

DOI for Effect of Ca²⁺/Sr²⁺ Substitution on the Electronic Structure of the Oxygen-Evolving Complex of Photosystem II: A Combined Multifrequency EPR, ⁵⁵Mn-ENDOR, and DFT Study of the S₂ State

Electron paramagnetic resonance study of the electron transfer reactions in photosystem II membrane preparations from Arabidopsis thaliana

Chen, Guiying; Allahverdiyeva, Yagut; Aro, Eva-Mari; Styring, Stenbjörn et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 205-215, 2011.

DOI for Electron paramagnetic resonance study of the electron transfer reactions in photosystem II membrane preparations from Arabidopsis thaliana

Electronic Structure of a Weakly Antiferromagnetically Coupled Mn^IIMn^III Model Relevant to Manganese Proteins: A Combined EPR, ⁵⁵Mn-ENDOR, and DFT Study

Cox, Nicholas; Ames, William; Epel, Boris; Kulik, Leonid V. et al.

Part of Inorganic Chemistry, p. 8238-8251, 2011.

DOI for Electronic Structure of a Weakly Antiferromagnetically Coupled Mn^IIMn^III Model Relevant to Manganese Proteins: A Combined EPR, ⁵⁵Mn-ENDOR, and DFT Study

Electronic Structure of Oxidized Complexes Derived from cis-Ru(II)(bpy)(2)(H(2)O)(2)](2+) and Its Photoisomerization Mechanism

Planas, Nora; Vigara, Laura; Cady, Clyde; Miro, Pere et al.

Part of Inorganic Chemistry, p. 11134-11142, 2011.

DOI for Electronic Structure of Oxidized Complexes Derived from cis-Ru(II)(bpy)(2)(H(2)O)(2)](2+) and Its Photoisomerization Mechanism

Evidence for a Precursor Complex in C-H Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex

Garcia-Bosch, Isaac; Company, Anna; Cady, Clyde W.; Styring, Stenbjörn et al.

Part of Angewandte Chemie International Edition, p. 5648-5653, 2011.

DOI for Evidence for a Precursor Complex in C-H Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex

Importance of Post-Translational Modifications for Functionality of a Chloroplast-Localized Carbonic Anhydrase (CAH1) in Arabidopsis thaliana

Buren, Stefan; Ortega-Villasante, Cristina; Blanco-Rivero, Amaya; Martinez-Bernardini, Andrea et al.

Part of PLOS ONE, 2011.

DOI for Importance of Post-Translational Modifications for Functionality of a Chloroplast-Localized Carbonic Anhydrase (CAH1) in Arabidopsis thaliana

Mechanistic Studies on the Water-Oxidizing Reaction of Homogeneous Manganese-Based Catalysts: Isolation and Characterization of a Suggested Catalytic Intermediate

Berggren, Gustav; Thapper, Anders; Huang, Ping; Eriksson, Lars et al.

Part of Inorganic Chemistry, p. 3425-3430, 2011.

DOI for Mechanistic Studies on the Water-Oxidizing Reaction of Homogeneous Manganese-Based Catalysts: Isolation and Characterization of a Suggested Catalytic Intermediate

Membrane-inlet mass spectrometry reveals a high driving force for oxygen production by photosystem II

Shevela, Dmitriy; Beckmann, Katrin; Clausen, Juergen; Junge, Wolfgang et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 3602-3607, 2011.

DOI for Membrane-inlet mass spectrometry reveals a high driving force for oxygen production by photosystem II

Modeling Photosystem I with the alternative reaction center protein PsaB2 in the nitrogen fixing cyanobacterium Nostoc punctiforme

Magnuson, Ann; Krassen, Henning; Stensjö, Karin; Ho, Felix M. et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1152-1161, 2011.

DOI for Modeling Photosystem I with the alternative reaction center protein PsaB2 in the nitrogen fixing cyanobacterium Nostoc punctiforme

Photochemical water oxidation with visible light using a cobalt containing catalyst

Shevchenko, Denys; Anderlund, Magnus F.; Thapper, Anders; Styring, Stenbjörn

Part of Energy and Environmental Science, p. 1284-1287, 2011.

DOI for Photochemical water oxidation with visible light using a cobalt containing catalyst

Probing Mode and Site of Substrate Water Binding to the Oxygen-Evolving Complex in the S₂ State of Photosystem II by ¹⁷O-HYSCORE Spectroscopy (vol 130, pg 786, 2008)

Su, Ji-Hu; Lubitz, Wolfgang; Messinger, Johannes

Part of Journal of the American Chemical Society, p. 12317-12317, 2011.

DOI for Probing Mode and Site of Substrate Water Binding to the Oxygen-Evolving Complex in the S₂ State of Photosystem II by ¹⁷O-HYSCORE Spectroscopy (vol 130, pg 786, 2008)

Protein Free Energy Corrections in ONIOM QM:MM Modeling: A Case Study for Isopenicillin N Synthase (IPNS)

Kawatsu, Tsutomu; Lundberg, Marcus; Morokuma, Keiji

Part of Journal of Chemical Theory and Computation, p. 390-401, 2011.

DOI for Protein Free Energy Corrections in ONIOM QM:MM Modeling: A Case Study for Isopenicillin N Synthase (IPNS) Download full text (pdf) of Protein Free Energy Corrections in ONIOM QM:MM Modeling: A Case Study for Isopenicillin N Synthase (IPNS)

Proton-coupled electron transfer of tyrosines in Photosystem II and model systems for artificial photosynthesis: the role of a redox-active link between catalyst and photosensitizer

Hammarström, Leif; Styring, Stenbjörn

Part of Energy & Environmental Science, p. 2379-2388, 2011.

DOI for Proton-coupled electron transfer of tyrosines in Photosystem II and model systems for artificial photosynthesis: the role of a redox-active link between catalyst and photosensitizer

Role of Novel Dimeric Photosystem II (PSII)-Psb27 Protein Complex in PSII Repair

Grasse, Nicole; Mamedov, Fikret; Becker, Kristin; Styring, Stenbjörn et al.

Part of Journal of Biological Chemistry, p. 29548-29555, 2011.

DOI for Role of Novel Dimeric Photosystem II (PSII)-Psb27 Protein Complex in PSII Repair

Shedding Light on Solar Fuel Efficiencies

Hammarström, Leif; Winkler, Jay R.; Gray, Harry B.; Styring, Stenbjörn

Part of Science, p. 288-288, 2011.

Synthesis and IR Spectroelectrochemical Studies of a [60]Fulleropyrrolidine-(tricarbonyl)chromium Complex: Probing C-60 Redox States by IR Spectroscopy

Andersson, Claes-Henrik; Berggren, Gustav; Ott, Sascha; Grennberg, Helena

Part of European Journal of Inorganic Chemistry, p. 1744-1749, 2011.

DOI for Synthesis and IR Spectroelectrochemical Studies of a [60]Fulleropyrrolidine-(tricarbonyl)chromium Complex: Probing C-60 Redox States by IR Spectroscopy

The electronic structures of the S₂ states of the oxygen-evolving complexes of photosystem II in plants and cyanobacteria in the presence and absence of methanol

Su, Ji-Hu; Cox, Nicholas; Ames, William; Pantazis, Dimitrios A. et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 829-840, 2011.

DOI for The electronic structures of the S₂ states of the oxygen-evolving complexes of photosystem II in plants and cyanobacteria in the presence and absence of methanol

The formation of the split EPR signal from the S-3 state of Photosystem II does not involve primary charge separation

Havelius, Kajsa G. V.; Su, Ji-Hu; Han, Guangye; Mamedov, Fikret et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 11-21, 2011.

DOI for The formation of the split EPR signal from the S-3 state of Photosystem II does not involve primary charge separation

The PsbW protein stabilizes the supramolecular organization of photosystem II in higher plants

Garcia-Cerdan, Jose G.; Kovacs, Laszlo; Toth, Tuende; Kereiche, Sami et al.

Part of The Plant Journal, p. 368-381, 2011.

DOI for The PsbW protein stabilizes the supramolecular organization of photosystem II in higher plants

Theoretical Evaluation of Structural Models of the S₂ State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions

Ames, William; Pantazis, Dimitrios A.; Krewald, Vera; Cox, Nicholas et al.

Part of Journal of the American Chemical Society, p. 19743-19757, 2011.

DOI for Theoretical Evaluation of Structural Models of the S₂ State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions

Case Studies of ONIOM(DFT:DFTB) and ONIOM(DFT:DFTB:MM) for Enzymes and Enzyme Mimics

Lundberg, Marcus; Sasakura, Y.; Zheng, G. S.; Morokuma, K.

Part of Journal of Chemical Theory and Computation, p. 1413-1427, 2010.

DOI for Case Studies of ONIOM(DFT:DFTB) and ONIOM(DFT:DFTB:MM) for Enzymes and Enzyme Mimics Download full text (pdf) of Case Studies of ONIOM(DFT:DFTB) and ONIOM(DFT:DFTB:MM) for Enzymes and Enzyme Mimics

Direct synthesis of an heterometallic {(Mn3Cr4III)-Cr-II} wheel by decomposition of Reineckes salt

Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Volodymyr N.; Zybatyuk, Roman I. et al.

Part of Dalton Transactions, p. 2344-2349, 2010.

DOI for Direct synthesis of an heterometallic {(Mn3Cr4III)-Cr-II} wheel by decomposition of Reineckes salt

Effects of pH on the S₃ State of the Oxygen Evolving Complex in Photosystem II Probed by EPR Split Signal Induction

Sjöholm, Johannes; Havelius, Kajsa G. V.; Mamedov, Fikret; Styring, Stenbjörn

Part of Biochemistry, p. 9800-9808, 2010.

DOI for Effects of pH on the S₃ State of the Oxygen Evolving Complex in Photosystem II Probed by EPR Split Signal Induction

Excitation energy transfer to Photosystem I in filaments and heterocysts of Nostoc punctiforme

Cardona, Tanai; Magnuson, Ann

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 425-433, 2010.

DOI for Excitation energy transfer to Photosystem I in filaments and heterocysts of Nostoc punctiforme

Is Mn-Bound Substrate Water Protonated in the S ₂ State of Photosystem II?

Su, Ji-Hu; Messinger, Johannes

Part of Applied Magnetic Resonance, p. 123-136, 2010.

DOI for Is Mn-Bound Substrate Water Protonated in the S ₂ State of Photosystem II?

Metalloradical EPR Signals from the Y-Z center dot S-State Intermediates in Photosystem II

Havelius, Kajsa G. V.; Sjöholm, Johannes; Ho, Felix M.; Mamedov, Fikret et al.

Part of Applied Magnetic Resonance, p. 151-176, 2010.

DOI for Metalloradical EPR Signals from the Y-Z center dot S-State Intermediates in Photosystem II

Synthesis and characterisation of low valent Mn-complexes as models for Mn-catalases

Berggren, Gustav; Huang, Ping; Eriksson, Lars; Styring, Stenbjörn et al.

Part of Dalton Transactions, p. 11035-11044, 2010.

DOI for Synthesis and characterisation of low valent Mn-complexes as models for Mn-catalases

Towards Solar Fuels using a Biomimetic Approach: Progress in the Swedish Consortium for Artificial Photosyntesis

Sascha, Ott; Stenbjörn, Styring; Hammarström, Leif; Johansson, Olof

Part of Energy Production and Storage, 2010.

A New Quantum Chemical Approach to the Magnetic Properties of Oligonuclear Transition-Metal Complexes: Application to a Model for the Tetranuclear Manganese Cluster of Photosystem II

Pantazis, Dimitrios A.; Orio, Maylis; Petrenko, Taras; Zein, Samir et al.

Part of Chemistry - A European Journal, p. 5108-5123, 2009.

DOI for A New Quantum Chemical Approach to the Magnetic Properties of Oligonuclear Transition-Metal Complexes: Application to a Model for the Tetranuclear Manganese Cluster of Photosystem II

Biomimetic and Microbial Approaches to Solar Fuel Generation

Magnuson, Ann; Anderlund, Magnus; Johansson, Olof; Lindblad, Peter et al.

Part of Accounts of Chemical Research, p. 1899-1909, 2009.

DOI for Biomimetic and Microbial Approaches to Solar Fuel Generation

Catalysts for Solar Water Splitting

Messinger, Johannes

Part of ChemSusChem, p. 47-48, 2009.

DOI for Catalysts for Solar Water Splitting

Comparison of the electron transport properties of the psbo1 and psbo2 mutants of Arabidopsis thaliana

Allahverdiyeva, Yagut; Mamedov, Fikret; Holmström, Maija; Nurmi, Markus et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1230-1237, 2009.

DOI for Comparison of the electron transport properties of the psbo1 and psbo2 mutants of Arabidopsis thaliana

Defining the Far-Red Limit of Photosystem II in Spinach

Thapper, Anders; Mamedov, Fikret; Mokvist, Fredrik; Hammarström, Leif et al.

Part of The Plant Cell, p. 2391-2401, 2009.

DOI for Defining the Far-Red Limit of Photosystem II in Spinach

Determining Transition States in Bioinorganic Reactions

Lundberg, Marcus; Morokuma, Keiji

Part of Computational Inorganic and Bioinorganic Chemistry, p. 17-31, 2009.

Electron transfer protein complexes in the thylakoid membranes of heterocysts from the cyanobacterium Nostoc punctiforme

Cardona, Tanai; Battchikova, Natalia; Zhang, Pengpeng; Stensjö, Karin et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 252-263, 2009.

DOI for Electron transfer protein complexes in the thylakoid membranes of heterocysts from the cyanobacterium Nostoc punctiforme

Implementation and Benchmark Tests of the DFTB Method and Its Application in the ONIOM Method

Zheng, Guishan; Lundberg, Marcus; Jakowski, Jacek; Vreven, Thom et al.

Part of International Journal of Quantum Chemistry, p. 1841-1854, 2009.

DOI for Implementation and Benchmark Tests of the DFTB Method and Its Application in the ONIOM Method Download full text (pdf) of Implementation and Benchmark Tests of the DFTB Method and Its Application in the ONIOM Method

Berggren, Gustav

Mimicking Nature – Synthesis and Characterisation of Manganese Complexes of Relevance to Artificial Photosynthesis

2009.

Download full text (pdf) of Berggren, Gustav

On-line mass spectrometry: membrane inlet sampling

Beckmann, Katrin; Messinger, Johannes; Badger, Murray Ronald; Wydrzynski, Tom et al.

Part of Photosynthesis Research, p. 511-522, 2009.

DOI for On-line mass spectrometry: membrane inlet sampling

Photo-catalytic oxidation of a di-nuclear manganese centre in an engineered bacterioferritin 'reaction centre'

Conlan, Brendon; Cox, Nicholas; Su, Ji-Hu; Hillier, Warwick et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 1112-1121, 2009.

DOI for Photo-catalytic oxidation of a di-nuclear manganese centre in an engineered bacterioferritin 'reaction centre'

Special educational issue on 'Basics and application of biophysical techniques in photosynthesis and related processes'

Messinger, Johannes; Alia, A.; Govindjee, -

Part of Photosynthesis Research, p. 89-92, 2009.

DOI for Special educational issue on 'Basics and application of biophysical techniques in photosynthesis and related processes'

Special educational issue on 'Basics and application of biophysical techniques in photosynthesis and related processes', Part B

Messinger, Johannes; Alia, A.; Govindjee, -

Part of Photosynthesis Research, p. 103-106, 2009.

DOI for Special educational issue on 'Basics and application of biophysical techniques in photosynthesis and related processes', Part B

Splitting with a difference

Hammarstrom, Leif; Styring, Stenbjorn

Part of Nature Chemistry, p. 185-186, 2009.

DOI for Splitting with a difference

Structure of the oxygen-evolving complex of photosystem II: information on the S₂ state through quantum chemical calculation of its magnetic properties

Pantazis, Dimitrios A.; Orio, Maylis; Petrenko, Taras; Zein, Samir et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 6788-6798, 2009.

DOI for Structure of the oxygen-evolving complex of photosystem II: information on the S₂ state through quantum chemical calculation of its magnetic properties

Synthesis, Characterization and Reactivity Study of a New Penta-Coordinated Mn(II) Complex

Berggren, Gustav; Huang, Ping; Eriksson, Lars; Anderlund, Magnus F.

Part of Applied Magnetic Resonance, p. 9-24, 2009.

DOI for Synthesis, Characterization and Reactivity Study of a New Penta-Coordinated Mn(II) Complex

The ONIOM Method and its Applications to Enzymatic Reactions

Lundberg, Marcus; Morokuma, Keiji

Part of Multi-scale Quantum Models for Biocatalysis, 2009.

The S₀ state of the water oxidizing complex in photosystem II: pH dependence of the EPR Split signal, induction and mechanistic implications

Sjöholm, Johannes; Havelius, Kajsa G. V.; Mamedov, Fikret; Styring, Stenbjörn

Part of Biochemistry, p. 9393-9404, 2009.

DOI for The S₀ state of the water oxidizing complex in photosystem II: pH dependence of the EPR Split signal, induction and mechanistic implications

The S-1 split signal of photosystem II: a tyrosine-manganese coupled interaction

Cox, Nicholas; Ho, Felix M.; Pewnim, Naray; Steffen, Ronald et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 882-889, 2009.

DOI for The S-1 split signal of photosystem II: a tyrosine-manganese coupled interaction

Transcription of a "silent" cyanobacterial psbA gene is induced by microaerobic conditions

Sicora, Cosmin Ionel; Ho, Felix M.; Salminen, Tiina; Styring, Stenbjörn et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 105-112, 2009.

DOI for Transcription of a "silent" cyanobacterial psbA gene is induced by microaerobic conditions

Transition States in a Protein Environment: ONIOM QM:MM Modeling of Isopenicillin N Synthesis

Lundberg, Marcus; Kawatsu, T.; Vreven, T.; Frisch, M. J. et al.

Part of Journal of Chemical Theory and Computation, p. 222-234, 2009.

DOI for Transition States in a Protein Environment: ONIOM QM:MM Modeling of Isopenicillin N Synthesis Download full text (pdf) of Transition States in a Protein Environment: ONIOM QM:MM Modeling of Isopenicillin N Synthesis

Two tetranuclear Mn-complexes as biomimetic models of the oxygen evolving complex in Photosystem II. A synthesis, characterisation and reactivity study

Berggren, Gustav; Thapper, Anders; Huang, Ping; Eriksson, Lars et al.

Part of Dalton Transactions, p. 10044-10054, 2009.

DOI for Two tetranuclear Mn-complexes as biomimetic models of the oxygen evolving complex in Photosystem II. A synthesis, characterisation and reactivity study

X-ray Emission Spectroscopy To Study Ligand Valence Orbitals in Mn Coordination Complexes

Smolentsev, Grigory; Soldatov, Alexander V.; Messinger, Johannes; Merz, Kathrin et al.

Part of Journal of the American Chemical Society, p. 13161-13167, 2009.

DOI for X-ray Emission Spectroscopy To Study Ligand Valence Orbitals in Mn Coordination Complexes

Access channels and methanol binding site to the CaMn4 cluster in Photosystem II based on solvent accessibility simulations, with implications for substrate water access

Ho, Felix M.; Styring, Stenbjörn

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 140-153, 2008.

DOI for Access channels and methanol binding site to the CaMn4 cluster in Photosystem II based on solvent accessibility simulations, with implications for substrate water access

Coupled electron transfers in artificial photosynthesis

Hammarström, Leif; Styring, Stenbjörn

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, p. 1283-1291, 2008.

DOI for Coupled electron transfers in artificial photosynthesis

Direct quantification of the four individual S states in Photosystem II using EPR spectroscopy

Han, Guangye; Ho, Felix M.; Havelius, Kajsa G. V.; Morvaridi, Susan F. et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 496-503, 2008.

DOI for Direct quantification of the four individual S states in Photosystem II using EPR spectroscopy

Effects of methanol on the S_i-state transitions in photosynthetic water-splitting

Noering, Birgit; Shevela, Dmitriy; Renger, Gernot; Messinger, Johannes

Part of Photosynthesis Research, p. 251-260, 2008.

DOI for Effects of methanol on the S_i-state transitions in photosynthetic water-splitting

EPR characterization of photosystem II from different domains of the thylakoid membrane

Mamedov, Fikret; Danielsson, Ravi; Gadjieva, Rena; Albertsson, Per-Ake et al.

Part of Biochemistry, p. 3883-3891, 2008.

DOI for EPR characterization of photosystem II from different domains of the thylakoid membrane

ESEEM study of the light-inducible Split S1 EPR signal from photosystem II

Mamedov, Fikret; Havelius, Kajsa; Styring, Stenbjörn

Part of Photosynthesis. Energy from the Sun, p. 419-422, 2008.

Focusing the view on nature's water-splitting catalyst

Zein, Samir; Kulik, Leonid V.; Yano, Junko; Kern, Jan et al.

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, p. 1167-1177, 2008.

DOI for Focusing the view on nature's water-splitting catalyst

Focusing the view on nature's water-splitting catalyst - Discussion

Pace, R.; Messinger, Johannes; Boussac, A.; Britt, R. D. et al.

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, p. 1177-1177, 2008.

Formation of stoichiometrically O-18-labelled oxygen from the oxidation of O-18-enriched water mediated by a dinuclear manganese complex: a mass spectrometry and EPR study

Beckmann, K.; Uchtenhagen, Hannes; Berggren, Gustav; Anderlund, Magnus F. et al.

Part of Energy & Environmental Science, p. 668-676, 2008.

DOI for Formation of stoichiometrically O-18-labelled oxygen from the oxidation of O-18-enriched water mediated by a dinuclear manganese complex: a mass spectrometry and EPR study

FTIR detection of water reactions in the oxygen-evolving centre of photosystem II - Discussion

Dau, H.; Noguchi, T.; Messinger, Johannes; Moran, K. et al.

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, p. 1194-1195, 2008.

High-resolution structure of the photosynthetic Mn₄Ca catalyst from X-ray spectroscopy

Yano, Junko; Kern, Jan; Pushkar, Yulia; Sauer, Kenneth et al.

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, p. 1139-1147, 2008.

DOI for High-resolution structure of the photosynthetic Mn₄Ca catalyst from X-ray spectroscopy

Hydrogencarbonate is not a tightly bound constituent of the water-oxidizing complex in photosystem II

Shevela, Dmitriy; Su, Ji-Hu; Klimov, Vyacheslav; Messinger, Johannes

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 532-539, 2008.

DOI for Hydrogencarbonate is not a tightly bound constituent of the water-oxidizing complex in photosystem II

IR-induced photochemistry in photosystem II

Thapper, Anders; Mamedov, Fikret; Styring, Stenbjörn

p. 521-524 2008.

Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection.

Chung, L. W.; Hayashi, S.; Lundberg, Marcus; Nakatsu, T. et al.

Part of Journal of the American Chemical Society, p. 12880-12881, 2008.

DOI for Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection.

Oxygen Evolving Reactions by Synthetic Manganese Complexes

Styring, Stenbjörn; Beckmann, Katrin; Berggren, Gustav; Uchtenhagen, Hannes et al.

Part of Photosynthesis. Energy from the Sun, 2008.

Phosphorylation-dependent regulation of excitation energy distribution between the two photosystems in higher plants

Tikkanen, Mikko; Nurmi, Markus; Suorsa, Marjaana; Danielsson, Ravi et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 425-432, 2008.

DOI for Phosphorylation-dependent regulation of excitation energy distribution between the two photosystems in higher plants

Probing mode and site of substrate water binding to the oxygen-evolving complex in the S₂ state of photosystem II by ¹⁷O-HYSCORE Spectroscopy

Su, Ji-Hu; Lubitz, Wolfgang; Messinger, Johannes

Part of Journal of the American Chemical Society, p. 786-+, 2008.

DOI for Probing mode and site of substrate water binding to the oxygen-evolving complex in the S₂ state of photosystem II by ¹⁷O-HYSCORE Spectroscopy

Quantitative shotgun proteomics of enriched heterocysts from Nostoc sp. PCC 7120 using 8-Plex isobaric peptide tags

Ow, Saw Yen; Cardona, Tanai; Taton, Arnaud; Magnuson, Ann et al.

Part of Journal of Proteome Research, p. 1615-1628, 2008.

DOI for Quantitative shotgun proteomics of enriched heterocysts from Nostoc sp. PCC 7120 using 8-Plex isobaric peptide tags

Redox reactions of a dinuclear manganese complex: the influence of water

Kurz, Philipp; Anderlund, Magnus F.; Shaikh, Nizamuddin; Styring, Stenbjorn et al.

Part of European Journal of Inorganic Chemistry, p. 762-770, 2008.

DOI for Redox reactions of a dinuclear manganese complex: the influence of water

Solar water-splitting into H₂ and O₂: design principles of photosystem II and hydrogenases

Lubitz, Wolfgang; Reijerse, Edward J.; Messinger, Johannes

Part of Energy & Environmental Science, p. 15-31, 2008.

DOI for Solar water-splitting into H₂ and O₂: design principles of photosystem II and hydrogenases

S-state dependence of misses in the OEC probed by EPR spectroscopy of individual S-states

Han, Guangye; Morvaridi, Susan; Ho, Felix; Mamedov, Fikret et al.

Part of Photosynthesis. Energy from the Sun, p. 419-422, 2008.

The mechanism behind the formation of the “Split S3” EPR signal in photosystem II induced by visible or near-infrared light

Havelius, Kajsa; Su, Ji-Hu; Ho, Felix; Han, Guangye et al.

Part of Photosynthesis. Energy from the Sun, p. 423-426, 2008.

The mechanism for isopenicillin N synthase from density-functional modeling highlights the similarities with other enzymes in the 2-his-1-carboxylate family

Lundberg, Marcus; Siegbahn, Per E. M.; Morokuma, Keiji

Part of Biochemistry, p. 1031-1042, 2008.

DOI for The mechanism for isopenicillin N synthase from density-functional modeling highlights the similarities with other enzymes in the 2-his-1-carboxylate family Download full text (pdf) of The mechanism for isopenicillin N synthase from density-functional modeling highlights the similarities with other enzymes in the 2-his-1-carboxylate family

The structure of the Mn₄Ca²⁺ cluster of photosystem II and its protein environment as revealed by X-ray crystallography -: Discussion

Pecoraro, V. L.; Barber, J.; Dau, H.; Brudvig, G. et al.

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, p. 1137-1138, 2008.

Using small molecule complexes to elucidate features of photosynthetic water oxidation - Discussion

Barber, J.; Pecoraro, V.; Brudvig, G.; Aukauloo, A. et al.

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, p. 1279-1281, 2008.

Water oxidation chemistry of photosystem II - Discussion

Pecoraro, V.; Brudvig, G.; Dau, H.; Aukauloo, A. et al.

Part of Philosophical Transactions of the Royal Society of London. Biological Sciences, p. 1218-1219, 2008.

Comparative study of the water oxidizing reactions and the millisecond delayed chlorophyll fluorescence in photosystem II at different pH

Gasanov, Ralphreed; Aliyeva, Samira; Arao, Sachiko; Ismailova, Aygun et al.

Part of Journal of Photochemistry and Photobiology. B, p. 160-164, 2007.

DOI for Comparative study of the water oxidizing reactions and the millisecond delayed chlorophyll fluorescence in photosystem II at different pH

Electronic structure of the Mn₄O_xCa cluster in the S₀ and S₂ states of the oxygen-evolving complex of photosystem II based on pulse ⁵⁵Mn-ENDOR and EPR Spectroscopy

Kulik, Leonid V.; Epel, Boris; Lubitz, Wolfgang; Messinger, Johannes

Part of Journal of the American Chemical Society, p. 13421-13435, 2007.

DOI for Electronic structure of the Mn₄O_xCa cluster in the S₀ and S₂ states of the oxygen-evolving complex of photosystem II based on pulse ⁵⁵Mn-ENDOR and EPR Spectroscopy

Enhancement of Y-D(center dot) spin relaxation by the CaMn4 cluster in photosystem II detected at room temperature: A new probe for the S-cycle

Ho, Felix M.; Morvaridi, Susan F.; Mamedov, Fikret; Styring, Stenbjörn

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 5-14, 2007.

DOI for Enhancement of Y-D(center dot) spin relaxation by the CaMn4 cluster in photosystem II detected at room temperature: A new probe for the S-cycle

EPR investigations of synthetic manganese complexes as bio-mimics of the water oxidation complex in photosystem II

Huang, P.; Kurz, Philipp; Styring, Stenbjörn

Part of Applied Magnetic Resonance, p. 301-320, 2007.

DOI for EPR investigations of synthetic manganese complexes as bio-mimics of the water oxidation complex in photosystem II

Formation Spectra of the EPR Split Signals from the S(0), S(1), and S(3) States in Photosystem II Induced by Monochromatic Light at 5 K

Su, Ji-Hu; Havelius, Kajsa G V.; Ho, Felix M.; Han, Guangye et al.

Part of Biochemistry, p. 10703-10712, 2007.

DOI for Formation Spectra of the EPR Split Signals from the S(0), S(1), and S(3) States in Photosystem II Induced by Monochromatic Light at 5 K

Functional characterization of monomeric photosystem II core preparations from Thermosynechococcus elongatus with or without the Psb27 protein

Mamedov, Fikret; Nowaczyk, Marc M.; Thapper, Anders; Rögner, Matthias et al.

Part of Biochemistry, p. 5542-5551, 2007.

DOI for Functional characterization of monomeric photosystem II core preparations from Thermosynechococcus elongatus with or without the Psb27 protein

Functional Heterogeneity of Photosystem II in Domain Specific Regions of the Thylakoid Membrane of Spinach (Spinacia oleracea L.)

Veerman, John; McConnell, Michael D; Vasiliev, Sergei; Mamedov, Fikret et al.

Part of Biochemistry, p. 3443-3453, 2007.

DOI for Functional Heterogeneity of Photosystem II in Domain Specific Regions of the Thylakoid Membrane of Spinach (Spinacia oleracea L.)

Insights into the function of PsbR protein in Arabidopsis thaliana

Allahverdiyeva, Yagut; Mamedov, Fikret; Suorsa, Marjaana; Styring, Stenbjörn et al.

Part of Biochimica et Biophysica Acta - Bioenergetics, p. 677-685, 2007.

DOI for Insights into the function of PsbR protein in Arabidopsis thaliana

Interactions of photosystem II with bicarbonate, formate and acetate

Shevela, Dmitriy; Klimov, Vyacheslav; Messinger, Johannes

Part of Photosynthesis Research, p. 247-264, 2007.

DOI for Interactions of photosystem II with bicarbonate, formate and acetate

Isolation and characterization of thylakoid membranes from the filamentous cyanobacterium Nostoc punctiforme

Cardona, Tanai; Battchikova, Natalia; Agervald, Åsa; Zhang, Pengpeng et al.

Part of Physiologia Plantarum, p. 622-634, 2007.

DOI for Isolation and characterization of thylakoid membranes from the filamentous cyanobacterium Nostoc punctiforme

Oxygen evolving reactions catalysed by synthetic manganese complexes: A systematic screening

Kurz, Philipp; Berggren, Gustav; Anderlund, Magnus F.; Styring, Stenbjörn

Part of Dalton Transactions, p. 4258-4261, 2007.

DOI for Oxygen evolving reactions catalysed by synthetic manganese complexes: A systematic screening

Oxygen-induced changes in the redox state of the cytochrome b559 in photosystem II depend on the integrity of the Mn cluster

Mamedov, Fikret; Gadjieva, Rena; Styring, Stenbjörn

Part of Physiologia Plantarum, p. 41-49, 2007.

DOI for Oxygen-induced changes in the redox state of the cytochrome b559 in photosystem II depend on the integrity of the Mn cluster

Parameter calibration of transition-metal elements for the spin-polarized self-consistent-charge density-functional tight-binding (DFTB) method: Sc, Ti, Fe, Co, and Ni

Zheng, Guishan; Witek, Henryk A.; Bobadova-Parvanova, Petia; Irle, Stephan et al.

Part of Journal of Chemical Theory and Computation, p. 1349-1367, 2007.

DOI for Parameter calibration of transition-metal elements for the spin-polarized self-consistent-charge density-functional tight-binding (DFTB) method: Sc, Ti, Fe, Co, and Ni Download full text (pdf) of Parameter calibration of transition-metal elements for the spin-polarized self-consistent-charge density-functional tight-binding (DFTB) method: Sc, Ti, Fe, Co, and Ni

pH Dependent Competition between Y_Z and Y_D in Photosystem II Probed by Illumination at 5 K

Havelius, Kajsa G. V.; Styring, Stenbjörn

Part of Biochemistry, p. 7865-7874, 2007.

DOI for pH Dependent Competition between Y_Z and Y_D in Photosystem II Probed by Illumination at 5 K

Protein environment facilitates O-2 binding in non-heme iron enzyme: An insight from ONIOM calculations on isopenicillin N synthase (IPNS)

Lundberg, Marcus; Morokuma, Keiji

Part of Journal of Physical Chemistry B, p. 9380-9389, 2007.

DOI for Protein environment facilitates O-2 binding in non-heme iron enzyme: An insight from ONIOM calculations on isopenicillin N synthase (IPNS) Download full text (pdf) of Protein environment facilitates O-2 binding in non-heme iron enzyme: An insight from ONIOM calculations on isopenicillin N synthase (IPNS)

Rhodobacter capsulatus magnesium chelatase subunit BchH contains an oxygen sensitive iron-sulfur cluster

Sirijovski, Nick; Mamedov, Fikret; Olsson, Ulf; Styring, Stenbjörn et al.

Part of Archives of Microbiology, p. 599-608, 2007.

DOI for Rhodobacter capsulatus magnesium chelatase subunit BchH contains an oxygen sensitive iron-sulfur cluster

Structure and orientation of the Mn₄Ca cluster in plant photosystem II membranes studied by polarized range-extended X-ray absorption spectroscopy

Pushkar, Yulia; Yano, Junko; Glatzel, Pieter; Messinger, Johannes et al.

Part of Journal of Biological Chemistry, p. 7198-7208, 2007.

DOI for Structure and orientation of the Mn₄Ca cluster in plant photosystem II membranes studied by polarized range-extended X-ray absorption spectroscopy

Tetraethylammonium [12,12-diethyl-2,2,9,9-tetramethyl-1,4,7,10-tetraza-5,6-benzotridecane-3 ,8,11,13-tetraone(4-)]oxidomanganate(V)

Berggren, Gustav; Kaynak, F. B.; Anderlund, Magnus F.; Eriksson, L. et al.

Part of Acta Crystallographica Section E, p. M2672-M2673, 2007.

DOI for Tetraethylammonium [12,12-diethyl-2,2,9,9-tetramethyl-1,4,7,10-tetraza-5,6-benzotridecane-3 ,8,11,13-tetraone(4-)]oxidomanganate(V)

Artificial Photosynthesis Edited by Anthony F. Collings and Christa Critchley

Hammarström, Leif; Johansson, Olof; Magnuson, Ann

Part of Angewandte Chemie, International Edition, 2006.

Bridging-mode changes facilitate successive oxidation steps at about 1 V in two binuclear manganese complexes - implications for photosynthetic water-oxidation.

Magnuson, Ann; Liebisch, Peter; Haumann, Michael; Högblom, Joakim et al.

Part of Journal of Inorganic Biochemistry, p. 1234-1243, 2006.

DOI for Bridging-mode changes facilitate successive oxidation steps at about 1 V in two binuclear manganese complexes - implications for photosynthetic water-oxidation.

Characterization of the water oxidizing complex of photosystem II of the Chl d-containing cyanobacterium Acaryochloris marina via its reactivity towards endogenous electron donors and acceptors

Shevela, Dmitriy; Noering, Birgit; Eckert, Hann-Joerg; Messinger, Johannes et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 3460-3466, 2006.

DOI for Characterization of the water oxidizing complex of photosystem II of the Chl d-containing cyanobacterium Acaryochloris marina via its reactivity towards endogenous electron donors and acceptors

Consistent simulation of X- and Q-band EPR spectra of an unsymmetric dinuclear Mn2(II,III) complex.

Huang, Ping; Shaikh, Nizamuddin; Anderlund, Magnus F; Styring, Stenbjörn et al.

Part of J Inorg Biochem, p. 1139-46, 2006.

Dimeric and monomeric organization of photosystem II. Distribution of five distinct complexes in the different domains of the thylakoid membrane.

Danielsson, Ravi; Suorsa, Marjaana; Paakkarinen, Virpi; Albertsson, Per-Ake et al.

Part of J Biol Chem, p. 14241-9, 2006.

Hydroxide instead of bicarbonate in the structure of the oxygen evolving complex

Siegbahn, P. E. M.; Lundberg, Marcus

Part of Journal of Inorganic Biochemistry, p. 1035-1040, 2006.

DOI for Hydroxide instead of bicarbonate in the structure of the oxygen evolving complex

Mimicking the electron donor side of Photosystem II in artificial photosynthesis.

Lomoth, Reiner; Magnuson, Ann; Sjödin, Martin; Huang, Ping et al.

Part of Photosynthesis Research, p. 1-16, 2006.

PsbR, a missing link in the assembly of the oxygen-evolving complex of plant photosystem II.

Suorsa, Marjaana; Sirpio, Sari; Allahverdiyeva, Yagut; Paakkarinen, Virpi et al.

Part of J Biol Chem, p. 145-50, 2006.

Redox chemistry of a dimanganese(II,III) complex with an unsymmetric ligand: Water binding, deprotonation and accumulative light-induced oxidation

Anderlund, Magnus F.; Högblom, Joakim; Shi, Wei; Huang, Ping et al.

Part of European Journal of Inorganic Chemistry, p. 5033-5047, 2006.

DOI for Redox chemistry of a dimanganese(II,III) complex with an unsymmetric ligand: Water binding, deprotonation and accumulative light-induced oxidation

Spectral resolution of the split EPR signals induced by illumination at 5 K from the S1, S3, and S0 states in photosystem II.

Havelius, Kajsa G V; Su, Ji-Hu; Feyziyev, Yashar; Mamedov, Fikret et al.

Part of Biochemistry, p. 9279-90, 2006.

Split EPR signals from photosystem II are modified by methanol, reflecting S state-dependent binding and alterations in the magnetic coupling in the CaMn4 cluster.

Su, Ji-Hu; Havelius, Kajsa G V; Mamedov, Fikret; Ho, Felix M et al.

Part of Biochemistry, p. 7617-27, 2006.

Synthesis and characterization of a six-coordinate monomeric Mn(III) complex with SOD-like activity

Shi, Wei; Liu, Yang; Liu, Bin; Song, Yuguang et al.

Part of Journal of Coordination Chemistry, p. 119-130, 2006.

Theoretical Modeling of Redox Processes in Enzymes and Biomimetic Systems

Bassan, Arianna; Borowski, Thomasz; Lundberg, Marcus; Siegbahn, Per E.M.

Part of Concepts and Models in Bioinorganic Chemistry, p. 63-88, 2006.

Where water is oxidized to dioxygen:: Structure of the photosynthetic Mn₄Ca cluster

Yano, Junko; Kern, Jan; Sauer, Kenneth; Latimer, Matthew J. et al.

Part of Science, p. 821-825, 2006.

DOI for Where water is oxidized to dioxygen:: Structure of the photosynthetic Mn₄Ca cluster

⁵⁵Mn pulse ENDOR at 34 GHz of the S₀ and S₂ states of the oxygen-evolving complex in photosystem II

Kulik, L V; Epel, B; Lubitz, W; Messinger, Johannes

Part of Journal of the American Chemical Society, p. 2392-2393, 2005.

DOI for ⁵⁵Mn pulse ENDOR at 34 GHz of the S₀ and S₂ states of the oxygen-evolving complex in photosystem II

Agreement between experiment and hybrid DFT calculations for O-H bond dissociation enthalpies in manganese complexes

Lundberg, Marcus; Siegbahn, Per E. M.

Part of Journal of Computational Chemistry, p. 661-667, 2005.

DOI for Agreement between experiment and hybrid DFT calculations for O-H bond dissociation enthalpies in manganese complexes

Challenges in Enzyme Catalysis - Photosystem II and Orotidine Decarboxylase

A Density Functional Theory Treatment Lundberg, Marcus

Download full text (pdf) of Challenges in Enzyme Catalysis - Photosystem II and Orotidine Decarboxylase

Electron spin-lattice relaxation of the so state of the oxygen-evolving complex in photosystem II and of dinuclear manganese model complexes

Kulik, L V; Lubitz, W; Messinger, Johannes

Part of Biochemistry, p. 9368-9374, 2005.

DOI for Electron spin-lattice relaxation of the so state of the oxygen-evolving complex in photosystem II and of dinuclear manganese model complexes

Evidence that bicarbonate is not the substrate in photosynthetic oxygen evolution

Clausen, J; Beckmann, K; Junge, W; Messinger, Johannes

Part of Plant Physiology, p. 1444-1450, 2005.

DOI for Evidence that bicarbonate is not the substrate in photosynthetic oxygen evolution

High-resolution Mn EXAFS of the oxygen-evolving complex in photosystem II:: Structural implications for the Mn₄Ca cluster

Yano, J; Pushkar, Y; Glatzel, P; Lewis, A et al.

Part of Journal of the American Chemical Society, p. 14974-14975, 2005.

DOI for High-resolution Mn EXAFS of the oxygen-evolving complex in photosystem II:: Structural implications for the Mn₄Ca cluster

Light induced manganese oxidation and long-lived charge separation in a Mn2II,II-RuII(bpy)3-acceptor triad

Borgström, Magnus; Shaikh, Nizamuddin; Johansson, Olof; Anderlund, Magnus et al.

Part of Journal of the American Chemical Society, p. 17504-17515, 2005.

DOI for Light induced manganese oxidation and long-lived charge separation in a Mn2II,II-RuII(bpy)3-acceptor triad

Light-Induced Manganese Oxidation and Long-Lived Charge Separation in a Mn₂^II,II─Ru^II─Acceptor Triad.

Borgström, Magnus; Shaikh, Nizamuddin; Johansson, Olof; Anderlund, Magnus F et al.

Part of Journal of the American Chemical Society, p. 17504-17515, 2005.

DOI for Light-Induced Manganese Oxidation and Long-Lived Charge Separation in a Mn₂^II,II─Ru^II─Acceptor Triad.

Minimum energy spin crossings for an O–O bond formation reaction

Lundberg, Marcus; Siegbahn, Per E. M.

Part of Chemical Physics Letters, p. 347-351, 2005.

DOI for Minimum energy spin crossings for an O–O bond formation reaction

Modulation of photosynthetic electron transport in the absence of terminal electron acceptors: characterization of the rbcL deletion mutant of tobacco

Allahverdiyeva, Yagut; Mamedov, Fikret; Mäenpää, Pirkko; Vass, Imre et al.

Part of Biochimica et Biophysica Acta (BBA) - Bioenergetics, p. 69-83, 2005.

DOI for Modulation of photosynthetic electron transport in the absence of terminal electron acceptors: characterization of the rbcL deletion mutant of tobacco

Optimized spin crossings and transition states for short-range electron transfer in transition metal dimers

Lundberg, Marcus; Siegbahn, Per E. M.

Part of Journal of Physical Chemistry B, p. 10513-10520, 2005.

DOI for Optimized spin crossings and transition states for short-range electron transfer in transition metal dimers

Pulse EPR, ⁵⁵Mn-ENDOR and ELDOR-detected NMR of the S₂-state of the oxygen evolving complex in Photosystem II

Kulik, L; Epel, B; Messinger, Johannes; Lubitz, W

Part of Photosynthesis Research, p. 347-353, 2005.

DOI for Pulse EPR, ⁵⁵Mn-ENDOR and ELDOR-detected NMR of the S₂-state of the oxygen evolving complex in Photosystem II