Search Results - "Pace, Ron J."

Rationalizing the 1.9 Å Crystal Structure of Photosystem II-A Remarkable Jahn-Teller Balancing Act Induced by a Single Proton Transfer by Gatt, Phillip, Petrie, Simon, Stranger, Rob, Pace, Ron J.

“…Balancing act: DFT calculations show that the structures of the water‐oxidizing complex in the two most recent single crystal XRD studies of photosystem II at…”
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What Are the Oxidation States of Manganese Required To Catalyze Photosynthetic Water Oxidation? by Kolling, Derrick R.J., Cox, Nicholas, Ananyev, Gennady M., Pace, Ron J., Dismukes, G. Charles

“…Photosynthetic O2 production from water is catalyzed by a cluster of four manganese ions and a tyrosine residue that comprise the redox-active components of…”
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Why nature chose Mn for the water oxidase in Photosystem II by Pace, Ron J, Stranger, Rob, Petrie, Simon

“…Nature performs a vital but uniquely energetic reaction within Photosystem II (PS II), resulting in the oxidation of two water molecules to yield O(2) and…”
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What spectroscopy reveals concerning the Mn oxidation levels in the oxygen evolving complex of photosystem II: X-ray to near infra-red by Pace, Ron J, Jin, Lu, Stranger, Rob

“…Photosystem II (PS II), found in oxygenic photosynthetic organisms, catalyses the most energetically demanding reaction in nature, the oxidation of water to…”
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Location of Potential Substrate Water Binding Sites in the Water Oxidizing Complex of Photosystem II by Petrie, Simon, Stranger, Robert, Pace, Ron J

“…Water divining: DFT calculations are applied to a set of Mn4Ca cluster models of the water oxidizing complex (WOC) in photosystem II (see picture; O red, H…”
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Application of computational chemistry to understanding the structure and mechanism of the Mn catalytic site in photosystem II – A review by Gatt, Phillip, Stranger, Rob, Pace, Ron J.

“…► We review the theoretical contributions of all computational groups involved in PSII. ► Studies of molecular structure and the oxygen evolving mechanism are…”
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What does the Sr-substituted 2.1 Å resolution crystal structure of photosystem II reveal about the water oxidation mechanism? by Terrett, Richard, Petrie, Simon, Pace, Ron J, Stranger, Robert

“…A density functional study of the Sr-substituted photosystem II water oxidising complex demonstrates that its recent X-ray crystal structure is consistent with…”
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Resolving the Differences Between the 1.9 Å and 1.95 Å Crystal Structures of Photosystem II: A Single Proton Relocation Defines Two Tautomeric Forms of the Water-Oxidizing Complex by Petrie, Simon, Pace, Ron J., Stranger, Rob

“…Great progress has been made in characterizing the water‐oxidizing complex (WOC) in photosystem II (PSII) with the publication of a 1.9 Å resolution X‐ray…”
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Deprotonation of Water/Hydroxo Ligands in Clusters Mimicking the Water Oxidizing Complex of PSII and Its Effect on the Vibrational Frequencies of Ligated Carboxylate Groups by Chuah, Wooi Yee, Stranger, Rob, Pace, Ron J., Krausz, Elmars, Frankcombe, Terry J.

“…The IR absorptions of several first-shell carboxylate ligands of the water oxidizing complex (WOC) have been experimentally shown to be unaffected by oxidation…”
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Bridge Over Troubled Water: Resolving the Competing Photosystem II Crystal Structures by Petrie, Simon, Stranger, Rob, Gatt, Phillip, Pace, Ron J.

“…Density functional theory (DFT) calculations, at the Becke‐Perdew/TZP level of theory, were used to investigate a set of CaMn4‐containing clusters that model…”
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Structural, Magnetic Coupling and Oxidation State Trends in Models of the CaMn4 Cluster in Photosystem II by Petrie, Simon, Stranger, Rob, Pace, Ron J.

“…Density functional theory calculations are reported on a set of isomeric structures I, II and III that share the structural formula [CaMn4C9H10N2O16]q+⋅(H2O)3…”
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Computational design of a carbon nanotube fluorofullerene biosensor by Hilder, Tamsyn A, Pace, Ron J, Chung, Shin-Ho

“…Carbon nanotubes offer exciting opportunities for devising highly-sensitive detectors of specific molecules in biology and the environment. Detection limits as…”
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Identification of the QY excitation of the primary electron acceptor of photosystem II: CD determination of its coupling environment by Cox, Nicholas, Hughes, Joseph L, Steffen, Ronald, Smith, Paul J, Rutherford, A William, Pace, Ron J, Krausz, Elmars

“…Low-temperature absorption and CD spectra, measured simultaneously, are reported from Photosystem II (PS II) reduced with sodium dithionite. Spectra were…”
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Explaining the Different Geometries of the Water Oxidising Complex in the Nominal S3 State Crystal Structures of Photosystem II at 2.25 Å and 2.35 Å by Petrie, Simon, Stranger, Robert, Pace, Ron J.

“…Recently two atomic resolution crystal structures of Photosystem II, in the double flashed, nominal S3 intermediate state of its Mn4Ca water oxidising complex…”
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Rationalizing the Geometries of the Water Oxidising Complex in the Atomic Resolution, Nominal S3 State Crystal Structures of Photosystem II by Petrie, Simon, Terrett, Richard, Stranger, Robert, Pace, Ron J.

“…Three atomic resolution crystal structures of Photosystem II, in the double flashed, nominal S3 intermediate state of its Mn4Ca Water Oxidising Complex (WOC),…”
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Rationalizing the Geometries of the Water Oxidising Complex in the Atomic Resolution, Nominal S 3 State Crystal Structures of Photosystem II by Petrie, Simon, Terrett, Richard, Stranger, Robert, Pace, Ron J

“…Three atomic resolution crystal structures of Photosystem II, in the double flashed, nominal S intermediate state of its Mn Ca Water Oxidising Complex (WOC),…”
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Rationalising the Geometric Variation between the A and B Monomers in the 1.9 Å Crystal Structure of Photosystem II by Petrie, Simon, Stranger, Robert, Pace, Ron J.

“…Density functional theory calculations are reported on a set of models of the water‐oxidising complex (WOC) of photosystem II (PSII), exploring structural…”
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Tethered Bilayer Membranes Containing Ionic Reservoirs:  Selectivity and Conductance by Krishna, Gowri, Schulte, Jurgen, Cornell, Bruce A, Pace, Ron J, Osman, Peter D

“…Ion channels, such as gramicidin A, selectively facilitate the transport of ions across biological and synthetic membranes. The conductance properties of ion…”
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Rationalizing the 2.25 Å Resolution Crystal Structure of the Water Oxidising Complex of Photosystem II in the S3 State by Petrie, Simon, Stranger, Rob, Pace, Ron J.

“…Quantum chemical calculations are described which rationalize the recent X‐ray diffraction (XRD) structure at 2.25 Å of the Mn4Ca water oxidising complex (WOC)…”
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Explaining the Different Geometries of the Water Oxidising Complex in the Nominal S 3 State Crystal Structures of Photosystem II at 2.25 Å and 2.35 Å by Petrie, Simon, Stranger, Robert, Pace, Ron J

“…Recently two atomic resolution crystal structures of Photosystem II, in the double flashed, nominal S intermediate state of its Mn Ca water oxidising complex…”
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