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List of works by Edward I. Solomon

A "naked" Fe(III)-(O₂²⁻)-Cu(II) species allows for structural and spectroscopic tuning of low-spin heme-peroxo-Cu complexes

scientific article published on 16 January 2015

A Mononuclear Nonheme Iron(V)-Imido Complex.

scientific article published on 19 June 2017

A N3S(thioether)-ligated Cu(II)-superoxo with enhanced reactivity

scientific article published on 20 February 2015

A Six-Coordinate Peroxynitrite Low-Spin Iron(III) Porphyrinate Complex-The Product of the Reaction of Nitrogen Monoxide (·NO(g)) with a Ferric-Superoxide Species.

scientific article published in November 2017

A [Cu2O]2+ core in Cu-ZSM-5, the active site in the oxidation of methane to methanol

scientific article published on 28 October 2009

A codeposition route to CuI-pyridine coordination complexes for organic light-emitting diodes

scientific article

A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates

scientific article published on January 2008

A combined quantum and molecular mechanical study of the O2 reductive cleavage in the catalytic cycle of multicopper oxidases

scientific article published in August 2005

A functional model for the cysteinate-ligated non-heme iron enzyme superoxide reductase (SOR).

scientific article

A functional nitric oxide reductase model

scholarly article

A mononuclear nonheme {FeNO}6 complex: synthesis and structural and spectroscopic characterization

scientific article published on 20 July 2018

A peroxynitrite complex of copper: formation from a copper-nitrosyl complex, transformation to nitrite and exogenous phenol oxidative coupling or nitration

scientific article

A stabilized mu-eta(2):eta(2) peroxodicopper(II) complex with a secondary diamine ligand and its tyrosinase-like reactivity

scientific article published in August 2002

A variable temperature spectroscopic study on Paracoccuspantotrophus pseudoazurin: protein constraints on the blue Cu site

scientific article published on 7 May 2009

A zinc linchpin motif in the MUTYH glycosylase interdomain connector is required for efficient repair of DNA damage

scientific article

Activating Metal Sites for Biological Electron Transfer

scientific article

Activation of N2O reduction by the fully reduced micro4-sulfide bridged tetranuclear Cu Z cluster in nitrous oxide reductase

scientific article

Activation of nit-1 nitrate reductase by W-formate dehydrogenase ⬇️

scientific article published on June 29, 1984

Activation of α-keto acid-dependent dioxygenases: application of an {FeNO}7/{FeO2}8 methodology for characterizing the initial steps of O2 activation

scientific article published on 21 October 2011

Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins

scientific article published on 23 September 2012

Amine oxidative N-dealkylation via cupric hydroperoxide Cu-OOH homolytic cleavage followed by site-specific fenton chemistry

scientific article published on 23 February 2015

Analysis of resonance Raman data on the blue copper site in pseudoazurin: excited state π and σ charge transfer distortions and their relation to ground state reorganization energy

scientific article

Anion binding to oxidized type 2 depleted and native laccase: A spectroscopically effective model for exogenous ligand binding to the type 3 - type 2 active site ⬇️

scientific article published on July 30, 1982

Anisotropic covalency contributions to superexchange pathways in type one copper active sites

scientific article published on 13 October 2014

Axial interactions in the mixed-valent CuA active site and role of the axial methionine in electron transfer

scientific article published on 20 August 2013

Axial ligation of Fe(II)-bleomycin probed by XANES spectroscopy

scientific article published in March 2004

Bilirubin oxidase from Bacillus pumilus: a promising enzyme for the elaboration of efficient cathodes in biofuel cells

scientific article published on 25 February 2012

Bilirubin oxidase from Magnaporthe oryzae: an attractive new enzyme for biotechnological applications

scientific article published on 15 February 2012

Bis(μ-oxo) dicopper(III) species of the simplest peralkylated diamine: enhanced reactivity toward exogenous substrates

scientific article

CD and MCD of CytC3 and taurine dioxygenase: role of the facial triad in alpha-KG-dependent oxygenases

scientific article published on 30 October 2007

CD and MCD spectroscopic studies of the two Dps miniferritin proteins from Bacillus anthracis: role of O2 and H2O2 substrates in reactivity of the diiron catalytic centers

scientific article

CD and MCD studies of the non-heme ferrous active site in (4-hydroxyphenyl)pyruvate dioxygenase: correlation between oxygen activation in the extradiol and alpha-KG-dependent dioxygenases

scientific article published in April 2004

CD/MCD/VTVH-MCD Studies of Escherichia coli Bacterioferritin Support a Binuclear Iron Cofactor Site

scientific article published on 9 November 2015

Characterization of metastable intermediates formed in the reaction between a Mn(II) complex and dioxygen, including a crystallographic structure of a binuclear Mn(III)-peroxo species

scientific article published on 3 April 2013

Characterization of the Preprocessed Copper Site Equilibrium in Amine Oxidase and Assignment of the Reactive Copper Site in Topaquinone Biogenesis.

scientific article

Chemical and spectroscopic conformation of an exogenous ligand bridge in half met hemocyanin

scientific article published on September 29, 1978

Chloride Control of the Mechanism of Human Serum Ceruloplasmin (Cp) Catalysis

scientific article published on 27 June 2019

Circular dichroism and magnetic circular dichroism studies of the biferrous form of the R2 subunit of ribonucleotide reductase from mouse: comparison to the R2 from Escherichia coli and other binuclear ferrous enzymes

scientific article published in October 2003

Circular dichroism and magnetic circular dichroism studies of the biferrous site of the class Ib ribonucleotide reductase from Bacillus cereus: comparison to the class Ia enzymes

scientific article

Circular dichroism, magnetic circular dichroism, and variable temperature variable field magnetic circular dichroism studies of biferrous and mixed-valent myo-inositol oxygenase: insights into substrate activation of O2 reactivity

scientific article published on 15 October 2013

Comparison between the geometric and electronic structures and reactivities of [FeNO]7 and [FeO2]8 complexes: a density functional theory study.

scientific article published in January 2004

Comparison of FeIV=O heme and non-heme species: electronic structures, bonding, and reactivities

scientific article

Contrasting copper-dioxygen chemistry arising from alike tridentate alkyltriamine copper(I) complexes

scientific article published in April 2002

Copper dioxygen (bio)inorganic chemistry

scientific article

Copper dioxygen adducts: formation of bis(mu-oxo)dicopper(III) versus (mu-1,2)Peroxodicopper(II) complexes with small changes in one pyridyl-ligand substituent

scientific article published on 9 April 2008

Copper-sulfenate complex from oxidation of a cavity mutant of Pseudomonas aeruginosa azurin

scientific article

Correlation of the electronic and geometric structures in mononuclear copper(II) superoxide complexes

scientific article published on 28 October 2013

Cu-ZSM-5: A biomimetic inorganic model for methane oxidation

scientific article published on 14 November 2011

Cupric superoxo-mediated intermolecular C-H activation chemistry

scientific article

Definition of the intermediates and mechanism of the anticancer drug bleomycin using nuclear resonance vibrational spectroscopy and related methods

scientific article

Density Functional Theory Calculations on Fe-O and O-O Cleavage of Ferric Hydroperoxide Species: Role of axial ligand and spin state

scientific article published on October 2010

Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge X-ray absorption spectroscopy

scientific article published in July 2003

Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations

scientific article published in January 2007

Dioxygen Binding, Activation, and Reduction to H2O by Cu Enzymes

scientific article

Dioxygen activation by copper, heme and non-heme iron enzymes: comparison of electronic structures and reactivities

scientific article

Direct hydrogen-atom abstraction by activated bleomycin: an experimental and computational study

scientific article

Distal metal effects in cobalt porphyrins related to CcO.

scientific article published in December 2002

EPR spectroscopy of [Fe2O2(5-Et3-TPA)2]3+: electronic origin of the unique spin-Hamiltonian parameters of the Fe2(III,IV)O2 diamond core

scientific article published in October 2003

EXAFS investigation of the binuclear cupric site in met T2D Rhus laccase and its azide bound derivative ⬇️

scientific article published on April 29, 1983

Effect of Protonation on Peroxo−Copper Bonding: Spectroscopic and Electronic Structure Study of [Cu2((UN−O−)(OOH)]2+ ⬇️

scientific article published on September 21, 1998

Efficient C-H Bond Activations via O2 Cleavage by a Dianionic Cobalt(II) Complex

scientific article

Electron transfer and reaction mechanism of laccases

scientific article

Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity

scientific article published on 29 March 2016

Electronic and spectroscopic studies of the non-heme reduced binuclear iron sites of two ribonucleotide reductase variants: comparison to reduced methane monooxygenase and contributions to O2 reactivity

scientific article published in March 2004

Electronic control of the "Bailar twist" in formally d0-d2 molybdenum tris(dithiolene) complexes: a sulfur K-edge X-ray absorption spectroscopy and density functional theory study

scientific article published on 03 June 2008

Electronic structure and its relation to function in copper proteins

scientific article

Electronic structure and reactivity of high-spin iron--alkyl- and--pterinperoxo complexes

scientific article published in January 2003

Electronic structure and reactivity of low-spin Fe(III)-hydroperoxo complexes: comparison to activated bleomycin

scientific article

Electronic structure contributions to electron-transfer reactivity in iron-sulfur active sites: 1. Photoelectron spectroscopic determination of electronic relaxation

scientific article

Electronic structure contributions to electron-transfer reactivity in iron-sulfur active sites: 2. Reduction potentials

scientific article published in February 2003

Electronic structure contributions to electron-transfer reactivity in iron-sulfur active sites: 3. Kinetics of electron transfer

scientific article

Electronic structure description of the mu(4)-sulfide bridged tetranuclear Cu(Z) center in N(2)O reductase

scientific article

Electronic structure of a low-spin heme/Cu peroxide complex: spin-state and spin-topology contributions to reactivity

scientific article published on 18 October 2011

Electronic structure of the peroxy intermediate and its correlation to the native intermediate in the multicopper oxidases: insights into the reductive cleavage of the o-o bond

scientific article published on 5 October 2007

Electronic structures of metal sites in proteins and models: contributions to function in blue copper proteins

scientific article published on February 2004

Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2.

scientific article

Evaluation of a concerted vs. sequential oxygen activation mechanism in α-ketoglutarate-dependent nonheme ferrous enzymes

scientific article published on 24 February 2020

Evolution of iron(II)-finger peptides by using a bipyridyl amino acid

scientific article

Examples of high-frequency EPR studies in bioinorganic chemistry

scientific article

Excited state potential energy surfaces and their interactions in Fe(IV)=O active sites

scientific article

Exogenous nitrile substrate hydroxylation by a new dicopper-hydroperoxide complex

scientific article published in November 2005

Extended X-ray absorption fine structure study of the coupled binuclear copper active site of tyrosinase from Neurospora crassa ⬇️

scientific article published on July 31, 1984

Fe L- and K-edge XAS of low-spin ferric corrole: bonding and reactivity relative to low-spin ferric porphyrin

scientific article published on February 2009

Fe L-edge X-ray absorption spectroscopy determination of differential orbital covalency of siderophore model compounds: electronic structure contributions to high stability constants

scientific article

Fe L-edge X-ray absorption spectroscopy of low-spin heme relative to non-heme Fe complexes: delocalization of Fe d-electrons into the porphyrin ligand

scientific article

Fe L-edge XAS studies of K4[Fe(CN)6] and K3[Fe(CN)6]: a direct probe of back-bonding

scientific article

Ferrous binding to the multicopper oxidases Saccharomyces cerevisiae Fet3p and human ceruloplasmin: contributions to ferroxidase activity

scientific article

Final-State Projection Method in Charge-Transfer Multiplet Calculations: An Analysis of Ti L-Edge Absorption Spectra

scientific article published on 30 July 2015

First- and second-sphere contributions to Fe(II) site activation by cosubstrate binding in non-heme Fe enzymes

scientific article published on January 2014

Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O2 activation

scientific article published on 01 March 2019

Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2.

scientific article

Frontier molecular orbital analysis of Cu(n)-O(2) reactivity

scientific article published in February 2002

Further insights into the mechanism of the reaction of activated bleomycin with DNA

scholarly article

Geometric and Electronic Structure Contributions to O-O Cleavage and the Resultant Intermediate Generated in Heme-Copper Oxidases

scientific article published on 17 June 2019

Geometric and electronic structure and reactivity of a mononuclear "side-on" nickel(III)-peroxo complex

scientific article

Geometric and electronic structure contributions to function in non-heme iron enzymes

scientific article published on 26 September 2013

Geometric and electronic structure differences between the type 3 copper sites of the multicopper oxidases and hemocyanin/tyrosinase

scholarly article

Geometric and electronic structure of [{Cu(MeAN)}2(μ-η2:η2(O2(2-)))]2+ with an unusually long O-O bond: O-O bond weakening vs activation for reductive cleavage

scientific article

Geometric and electronic structure of oxyhemocyanin: spectral and chemical correlations to met apo, half met, met, and dimer active sites ⬇️

scientific article published on May 1, 1979

Geometric and electronic structure of the Mn(IV)Fe(III) cofactor in class Ic ribonucleotide reductase: correlation to the class Ia binuclear non-heme iron enzyme

scientific article

Geometric structure determination of N694C lipoxygenase: a comparative near-edge X-ray absorption spectroscopy and extended X-ray absorption fine structure study

scientific article published on December 2008

Ground-state electronic and magnetic properties of a mu3-oxo-bridged trinuclear Cu(II) complex: correlation to the native intermediate of the multicopper oxidases

scientific article published on October 2005

Heme-Cu Binucleating Ligand Supports Heme/O2 and FeII-CuI/O2 Reactivity Providing High- and Low-Spin FeIII-Peroxo-CuII Complexes

scientific article published on 28 October 2019

Heme-FeIII Superoxide, Peroxide and Hydroperoxide Thermodynamic Relationships: FeIII-O2•- Complex H-Atom Abstraction Reactivity

scientific article published on 28 January 2020

High-resolution structure of a lytic polysaccharide monooxygenase from Hypocrea jecorina reveals a predicted linker as an integral part of the catalytic domain

scientific article published on 12 September 2017

Hybrid genetic algorithm with an adaptive penalty function for fitting multimodal experimental data: application to exchange-coupled non-Kramers binuclear iron active sites

scientific article

Hydroxo-bridged dicopper(II,III) and -(III,III) complexes: models for putative intermediates in oxidation catalysis

scientific article

Impact of Intramolecular Hydrogen Bonding on the Reactivity of Cupric Superoxide Complexes with O-H and C-H Substrates

scientific article published on 23 October 2019

Influence of intramolecular secondary sphere hydrogen-bonding interactions on cytochrome oxidase inspired low-spin heme-peroxo-copper complexes

scientific article published on 04 January 2019

Infrared spectral studies of metal binding effects on the secondary structure of bean plastocyanin

scientific article published on May 26, 1976

Interaction of nitric oxide with a functional model of cytochrome c oxidase

scholarly article

Intermediates involved in the two electron reduction of NO to N2O by a functional synthetic model of heme containing bacterial NO reductase

scientific article published on December 2008

Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes

scientific article published on 13 July 2018

Intramolecular single-turnover reaction in a cytochrome C oxidase model bearing a Tyr244 mimic

scientific article published on 13 April 2007

Introduction: Oxygen Reduction and Activation in Catalysis.

scientific article published in March 2018

Iron L-edge X-ray absorption spectroscopy of oxy-picket fence porphyrin: experimental insight into Fe-O2 bonding

scientific article published on 10 January 2013

Iron and Copper Active Sites in Zeolites and Their Correlation to Metalloenzymes.

scientific article

K- and L-edge X-ray Absorption Spectroscopy (XAS) and Resonant Inelastic X-ray Scattering (RIXS) Determination of Differential Orbital Covalency (DOC) of Transition Metal Sites.

scientific article published on 9 February 2017

Kinetic analysis of amino acid radicals formed in H2O2-driven CuI LPMO reoxidation implicates dominant homolytic reactivity

scientific article published on 15 May 2020

Kinetic and CD/MCD spectroscopic studies of the atypical, three-His-ligated, non-heme Fe2+ center in diketone dioxygenase: the role of hydrophilic outer shell residues in catalysis

scientific article published on February 2010

Kinetic and spectroscopic studies of N694C lipoxygenase: a probe of the substrate activation mechanism of a nonheme ferric enzyme

scientific article

Kinetic, spectroscopic, and structural investigations of the soybean lipoxygenase-1 first-coordination sphere mutant, Asn694Gly

scientific article published in August 2006

Kβ X-ray Emission Spectroscopy as a Probe of Cu(I) Sites: Application to the Cu(I) Site in Preprocessed Galactose Oxidase

scientific article published on 02 November 2020

L-edge X-ray absorption spectroscopy and DFT calculations on Cu2O2 species: direct electrophilic aromatic attack by side-on peroxo bridged dicopper(II) complexes

scientific article

L-edge X-ray absorption spectroscopy of non-heme iron sites: experimental determination of differential orbital covalency

scientific article

Ligand Identity-Induced Generation of Enhanced Oxidative Hydrogen Atom Transfer Reactivity for a CuII2(O2•-) Complex Driven by Formation of a CuII2(-OOH) Compound with a Strong O-H Bond

scientific article published on 30 July 2019

Ligand K-edge X-ray absorption spectroscopy of [Fe4S4]1+,2+,3+ clusters: changes in bonding and electronic relaxation upon redox

scientific article published in July 2004

Ligand displacement reactions of oxyhemocyanin: Comparison of reactivities of arthropods and molluscs ⬇️

scientific article published on August 28, 1979

MXAN analysis of the XANES energy region of a mononuclear copper complex: applications to bioinorganic systems

scientific article

Magnetic circular dichroism studies of exogenous ligand and substrate binding to the non-heme ferrous active site in phthalate dioxygenase ⬇️

scientific article published on November 1, 1994

Magnetic susceptibility studies of laccase and oxyhemocyanin

scientific article published on July 1, 1978

Mechanism of N2O reduction by the mu4-S tetranuclear CuZ cluster of nitrous oxide reductase

scientific article published on January 2006

Mechanism of O2 activation and substrate hydroxylation in noncoupled binuclear copper monooxygenases

scientific article published on 10 October 2016

Mechanism of selective benzene hydroxylation catalyzed by iron-containing zeolites

scientific article published on 14 November 2018

Mechanism of the reduction of the native intermediate in the multicopper oxidases: insights into rapid intramolecular electron transfer in turnover

scientific article

Mechanistic insights into the oxidation of substituted phenols via hydrogen atom abstraction by a cupric-superoxo complex

scientific article published on 8 July 2014

Metal and ligand K-edge XAS of organotitanium complexes: metal 4p and 3d contributions to pre-edge intensity and their contributions to bonding

scientific article published in January 2005

Metal and ligand K-edge XAS of titanium-TEMPO complexes: determination of oxidation states and insights into Ti-O bond homolysis

scientific article published in May 2006

Metal-ligand covalency of iron complexes from high-resolution resonant inelastic X-ray scattering

scientific article

Metal-thiolate bonds in bioinorganic chemistry

scientific article published on September 2006

Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy.

scientific article

Mixed valent sites in biological electron transfer

scientific article published on 11 February 2008

Modeling nuclear resonance vibrational spectroscopic data of binuclear non-heme iron enzymes using density functional theory

scientific article published on 15 April 2014

Modified reactivity toward O2 in first shell variants of Fet3p: geometric and electronic structure requirements for a functioning trinuclear copper cluster

scientific article published on 15 May 2013

Molecular origin of rapid versus slow intramolecular electron transfer in the catalytic cycle of the multicopper oxidases

scientific article published on 7 August 2013

Molecular oxygen and sulfur reactivity of a cyclotriveratrylene derived trinuclear copper(I) complex

scientific article published on September 2009

Molecular-Level Insight into the Differential Oxidase and Oxygenase Reactivities of de Novo Due Ferri Proteins

scientific article published on 15 July 2015

Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand

scientific article published on April 2013

Multireference ab initio calculations of g tensors for trinuclear copper clusters in multicopper oxidases

scientific article published in June 2010

N2O reduction by the mu4-sulfide-bridged tetranuclear CuZ cluster active site

scientific article published in August 2004

NRVS Studies of the Peroxide Shunt Intermediate in a Rieske Dioxygenase and Its Relation to the Native FeII O2 Reaction.

scientific article published on 11 April 2018

Nature of the intermediate formed in the reduction of O(2) to H(2)O at the trinuclear copper cluster active site in native laccase.

scientific article

Nature of the peroxo intermediate of the W48F/D84E ribonucleotide reductase variant: implications for O2 activation by binuclear non-heme iron enzymes

scientific article

Near-IR MCD of the nonheme ferrous active site in naphthalene 1,2-dioxygenase: correlation to crystallography and structural insight into the mechanism of Rieske dioxygenases

scientific article

New insights into structure and luminescence of Eu(III) and Sm(III) complexes of the 3,4,3-LI(1,2-HOPO) ligand

scientific article published on 19 February 2015

Non-heme iron enzymes: contrasts to heme catalysis

scholarly article

Normal mode analysis of Pyrococcus furiosus rubredoxin via nuclear resonance vibrational spectroscopy (NRVS) and resonance raman spectroscopy

scientific article published in October 2005

Nuclear Resonance Vibrational Spectroscopic Definition of Peroxy Intermediates in Nonheme Iron Sites

scientific article

Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIV═O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction

scientific article published on 26 October 2020

Nuclear Resonance Vibrational Spectroscopy Definition of O2 Intermediates in an Extradiol Dioxygenase: Correlation to Crystallography and Reactivity

scientific article published on 26 November 2018

Nuclear resonance vibrational spectroscopic and computational study of high-valent diiron complexes relevant to enzyme intermediates

scientific article published on April 2013

Nuclear resonance vibrational spectroscopy on the Fe(IV)=O S=2 non-heme site in TMG3tren: experimentally calibrated insights into reactivity

scientific article

O2 Activation by Non-Heme Iron Enzymes

scientific article published on 28 October 2016

O2 Activation by Nonheme FeII α-Ketoglutarate-Dependent Enzyme Variants: Elucidating the Role of the Facial Triad Carboxylate in FIH

scientific article published on 10 September 2018

O2 Reduction to Water by High Potential Multicopper Oxidases: Contributions of the T1 Copper Site Potential and the Local Environment of the Trinuclear Copper Cluster

scientific article published on 01 July 2019

O2 activation by binuclear Cu sites: noncoupled versus exchange coupled reaction mechanisms

scholarly article

O2 and N2O activation by Bi-, Tri-, and tetranuclear Cu clusters in biology

scientific article published on 2 May 2007

O2 reduction to H2O by the multicopper oxidases

scientific article

Observation of a Cu(II)(2) (μ-1,2-peroxo)/Cu(III)(2) (μ-oxo)(2) equilibrium and its implications for copper-dioxygen reactivity

scientific article published on 2 April 2014

On the spectral features associated with peroxide reactivity of the coupled binuclear copper active site in type 2 depleted and native Rhus laccase ⬇️

scientific article published on March 15, 1984

Oxidation of Naphthalene with a Manganese(IV) Bis(hydroxo) Complex in the Presence of Acid.

scientific article published on 22 May 2018

Oxygen Activation by Cu LPMOs in Recalcitrant Carbohydrate Polysaccharide Conversion to Monomer Sugars

scientific article

Oxygen activation by the noncoupled binuclear copper site in peptidylglycine alpha-hydroxylating monooxygenase. Reaction mechanism and role of the noncoupled nature of the active site

scientific article published in April 2004

Oxygen activation by the noncoupled binuclear copper site in peptidylglycine alpha-hydroxylating monooxygenase. Spectroscopic definition of the resting sites and the putative CuIIM-OOH intermediate

scientific article

Oxygen binding of water-soluble cobalt porphyrins in aqueous solution

scientific article

Oxygen precursor to the reactive intermediate in methanol synthesis by Cu-ZSM-5.

scientific article

Oxygen reactivity of the biferrous site in the de novo designed four helix bundle peptide DFsc: nature of the "intermediate" and reaction mechanism

scientific article published on 24 June 2008

Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF.

scientific article

Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy

scientific article published on 26 May 2016

Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sites

scientific article published on February 2009

Perturbations to the geometric and electronic structure of the CuA site: factors that influence delocalization and their contributions to electron transfer

scientific article

Phenol-Induced O-O Bond Cleavage in a Low-Spin Heme-Peroxo-Copper Complex: Implications for O2 Reduction in Heme-Copper Oxidases.

scientific article published on 6 June 2017

Photoelectron spectroscopic and electronic structure studies of CH(2)O bonding and reactivity on ZnO surfaces: steps in the methanol synthesis reaction

scientific article

Polarized X-ray absorption spectroscopy of single-crystal Mn(V) complexes relevant to the oxygen-evolving complex of photosystem II

scientific article published on 05 October 2007

Preface for the forum on insights into spectroscopy and reactivity from electronic structure theory.

scientific article published in July 2014

Preface forum: "functional insight from physical methods on metalloenzymes".

scientific article published in February 2005

Preparation and characterization of a stable half met derivative of type 2 depleted Rhus laccase: Exogenous ligand binding to the type 3 site ⬇️

scientific article published on July 30, 1982

Preparation of a spectral probe derivative of the hemocyanin biopolymer: effects of allosteric interactions on the coupled binuclear copper active site ⬇️

scientific article published on April 1, 1982

Preparation of non-heme {FeNO}7 models of cysteine dioxygenase: sulfur versus nitrogen ligation and photorelease of nitric oxide

scientific article published on 17 September 2013

Rapid C-H bond activation by a monocopper(III)-hydroxide complex

scientific article published on 17 October 2011

Rapid-freeze-quench magnetic circular dichroism of intermediate X in ribonucleotide reductase: new structural insight

scientific article published in September 2003

Reaction coordinate of a functional model of tyrosinase: spectroscopic and computational characterization

scientific article published on May 2009

Reaction coordinate of isopenicillin N synthase: oxidase versus oxygenase activity

scientific article published on February 2010

Reaction of a copper-dioxygen complex with nitrogen monoxide (*NO) leads to a copper(II)-peroxynitrite species.

scientific article published on 6 May 2008

Reactions and interconversion of met and dimer hemocyanin ⬇️

scientific article published on February 14, 1979

Reactive intermediates in oxygenation reactions with mononuclear nonheme iron catalysts

scientific article

Reactivity of a Cobalt(III)-Hydroperoxo Complex in Electrophilic Reactions

scientific article published on 15 November 2016

Reactivity of the binuclear non-heme iron active site of Δ⁹ desaturase studied by large-scale multireference ab initio calculations

scientific article published on 31 October 2014

Reinvestigation of the method used to map the electronic structure of blue copper proteins by NMR relaxation

scientific article published on 24 January 2006

Resolution of the spectroscopy versus crystallography issue for NO intermediates of nitrite reductase from Rhodobacter sphaeroides

scientific article published on 8 August 2007

Resonance raman investigation of equatorial ligand donor effects on the Cu(2)O(2)(2+) core in end-on and side-on mu-peroxo-dicopper(II) and bis-mu-oxo-dicopper(III) complexes

scientific article

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

scientific article published on 04 February 2019

Resonant inelastic X-ray scattering on ferrous and ferric bis-imidazole porphyrin and cytochrome c: nature and role of the axial methionine-Fe bond

scientific article

Reversible S-nitrosylation in an engineered azurin

scientific article

Role of aspartate 94 in the decay of the peroxide intermediate in the multicopper oxidase Fet3p

scientific article published in April 2005

S K-edge X-ray absorption spectroscopic investigation of the Ni-containing superoxide dismutase active site: new structural insight into the mechanism ⬇️

scientific article

S K-edge X-ray absorption spectroscopy and density functional theory studies of high and low spin {FeNO}7 thiolate complexes: exchange stabilization of electron delocalization in {FeNO}7 and {FeO2}8.

scientific article

S K-edge XAS and DFT calculations on SAM dependent pyruvate formate-lyase activating enzyme: nature of interaction between the Fe4S4 cluster and SAM and its role in reactivity

scientific article published on 28 October 2011

S K-edge XAS and DFT calculations on cytochrome P450: covalent and ionic contributions to the cysteine-Fe bond and their contribution to reactivity

scientific article published on June 2009

S K-edge XAS and DFT calculations on square-planar NiII-thiolate complexes: effects of active and passive H-bonding

scientific article published on 20 October 2007

Second-Sphere Effects on Methane Hydroxylation in Cu-Zeolites

scientific article published on 12 July 2018

Site-directed mutations in fungal laccase: effect on redox potential, activity and pH profile ⬇️

scientific article published on August 15, 1998

Solvation effects on S K-edge XAS spectra of Fe-S proteins: normal and inverse effects on WT and mutant rubredoxin

scientific article

Solvent effects on the conversion of dicopper(II) micro-eta(2):eta(2)-peroxo to bis-micro-oxo dicopper(III) complexes: direct probing of the solvent interaction

scientific article published in July 2004

Solvent tuning of electrochemical potentials in the active sites of HiPIP versus ferredoxin

scientific article

Spectroscopic Definition of the CuZ° Intermediate in Turnover of Nitrous Oxide Reductase and Molecular Insight into the Catalytic Mechanism.

scientific article published on 22 February 2017

Spectroscopic and Computational Studies of Nitrile Hydratase: Insights into Geometric and Electronic Structure and the Mechanism of Amide Synthesis

scientific article

Spectroscopic and DFT investigation of [M{HB(3,5-iPr2pz)3}(SC6F5)] (M = Mn, Fe, Co, Ni, Cu, and Zn) model complexes: periodic trends in metal-thiolate bonding

scientific article

Spectroscopic and DFT studies of second-sphere variants of the type 1 copper site in azurin: covalent and nonlocal electrostatic contributions to reduction potentials

scientific article

Spectroscopic and Electronic Structure Study of ETHE1: Elucidating the Factors Influencing Sulfur Oxidation and Oxygenation in Mononuclear Nonheme Iron Enzymes

scientific article published on 26 October 2018

Spectroscopic and Magnetic Studies of Human Ceruloplasmin: Identification of a Redox-Inactive Reduced Type 1 Copper Site ⬇️

scientific article published on June 30, 1998

Spectroscopic and computational insight into the activation of O2 by the mononuclear Cu center in polysaccharide monooxygenases

scientific article

Spectroscopic and computational studies of NTBC bound to the non-heme iron enzyme (4-hydroxyphenyl)pyruvate dioxygenase: active site contributions to drug inhibition

scientific article

Spectroscopic and computational studies of an end-on bound superoxo-Cu(II) complex: geometric and electronic factors that determine the ground state

scientific article published on October 2010

Spectroscopic and computational studies of nitrite reductase: proton induced electron transfer and backbonding contributions to reactivity

scientific article published on January 2009

Spectroscopic and computational studies of the de novo designed protein DF2t: correlation to the biferrous active site of ribonucleotide reductase and factors that affect O2 reactivity

scientific article published in November 2005

Spectroscopic and computational studies of α-keto acid binding to Dke1: understanding the role of the facial triad and the reactivity of β-diketones

scientific article published on 14 September 2011

Spectroscopic and crystallographic characterization of "alternative resting" and "resting oxidized" enzyme forms of bilirubin oxidase: implications for activity and electrochemical behavior of multicopper oxidases

scientific article published on 21 March 2012

Spectroscopic and density functional studies of the red copper site in nitrosocyanin: role of the protein in determining active site geometric and electronic structure.

scientific article

Spectroscopic and density functional theory studies of the blue-copper site in M121SeM and C112SeC azurin: Cu-Se versus Cu-S bonding

scientific article published on 04 March 2008

Spectroscopic and electronic structure studies of 2,3-dihydroxybiphenyl 1,2-dioxygenase: O2 reactivity of the non-heme ferrous site in extradiol dioxygenases

scientific article published in September 2003

Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes

scholarly article

Spectroscopic and electronic structure studies of intermediate X in ribonucleotide reductase R2 and two variants: a description of the FeIV-oxo bond in the FeIII-O-FeIV dimer

scientific article published on 29 June 2007

Spectroscopic and electronic structure studies of protocatechuate 3,4-dioxygenase: nature of tyrosinate-Fe(III) bonds and their contribution to reactivity

scientific article published in January 2002

Spectroscopic and electronic structure studies of the diamagnetic side-on CuII-superoxo complex Cu(O2)[HB(3-R-5-iPrpz)3]: antiferromagnetic coupling versus covalent delocalization

scientific article

Spectroscopic and electronic structure studies of the mu(4)-sulfide bridged tetranuclear Cu(Z) cluster in N(2)O reductase: molecular insight into the catalytic mechanism

scientific article published in September 2002

Spectroscopic and electronic structure studies of the role of active site interactions in the decarboxylation reaction of alpha-keto acid-dependent dioxygenases.

scientific article published on 26 September 2006

Spectroscopic and electronic structure studies of the trinuclear Cu cluster active site of the multicopper oxidase laccase: nature of its coordination unsaturation

scientific article published in October 2005

Spectroscopic and electronic structure study of the enzyme-substrate complex of intradiol dioxygenases: substrate activation by a high-spin ferric non-heme iron site

scientific article published on 26 January 2007

Spectroscopic and kinetic studies of PKU-inducing mutants of phenylalanine hydroxylase: Arg158Gln and Glu280Lys

scientific article published in May 2003

Spectroscopic and kinetic studies of perturbed trinuclear copper clusters: the role of protons in reductive cleavage of the O-O bond in the multicopper oxidase Fet3p

scientific article published on 5 October 2007

Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV[double bond]O complex

scientific article

Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity

scientific article published on 5 December 2007

Spectroscopic characterization and O2 reactivity of the trinuclear Cu cluster of mutants of the multicopper oxidase Fet3p

scientific article published in May 2002

Spectroscopic characterization of soybean lipoxygenase-1 mutants: the role of second coordination sphere residues in the regulation of enzyme activity

scientific article published in June 2003

Spectroscopic characterization of the Leu513His variant of fungal laccase: effect of increased axial ligand interaction on the geometric and electronic structure of the type 1 Cu site

scientific article

Spectroscopic definition of the biferrous and biferric sites in de novo designed four-helix bundle DFsc peptides: implications for O2 reactivity of binuclear non-heme iron enzymes

scientific article published on January 2009

Spectroscopic definition of the copper active sites in mordenite: selective methane oxidation

scientific article

Spectroscopic definition of the ferroxidase site in M ferritin: comparison of binuclear substrate vs cofactor active sites

scientific article published on 25 June 2008

Spectroscopic demonstration of a large antisymmetric exchange contribution to the spin-frustrated ground state of a D3 symmetric hydroxy-bridged trinuclear Cu(II) complex: ground-to-excited state superexchange pathways

scientific article published in October 2004

Spectroscopic evidence for a heme-superoxide/Cu(I) intermediate in a functional model of cytochrome c oxidase

scientific article published in June 2003

Spectroscopic investigation of stellacyanin mutants: axial ligand interactions at the blue copper site

scientific article

Spectroscopic methods in bioinorganic chemistry: blue to green to red copper sites

scientific article

Spectroscopic studies and a structural model for blue copper centers in proteins ⬇️

scientific article published on May 1, 1976

Spectroscopic studies of 1-aminocyclopropane-1-carboxylic acid oxidase: molecular mechanism and CO(2) activation in the biosynthesis of ethylene

scientific article published in May 2002

Spectroscopic studies of ligand perturbation effects on the half oxidized active site of busycon canaliculatum hemocyanin ⬇️

scientific article published on March 15, 1978

Spectroscopic studies of perturbed T1 Cu sites in the multicopper oxidases Saccharomyces cerevisiae Fet3p and Rhus vernicifera laccase: allosteric coupling between the T1 and trinuclear Cu sites.

scientific article published on 16 January 2008

Spectroscopic studies of the Met182Thr mutant of nitrite reductase: role of the axial ligand in the geometric and electronic structure of blue and green copper sites

scientific article

Spectroscopic studies of the effect of ligand donor strength on the Fe-NO bond intradiol dioxygenases.

scientific article published in January 2003

Spectroscopic studies of the interaction of ferrous bleomycin with DNA.

scientific article

Spectroscopic studies of the iron and manganese reconstituted tyrosyl radical in Bacillus cereus ribonucleotide reductase R2 protein.

scientific article

Spectroscopic studies of the mononuclear non-heme Fe(II) enzyme FIH: second-sphere contributions to reactivity

scientific article published on 20 June 2013

Spectroscopic study of [Fe2O2(5-Et3-TPA)2]3+: nature of the Fe2O2 diamond core and its possible relevance to high-valent binuclear non-heme enzyme intermediates

scientific article

Spectroscopic, computational, and kinetic studies of the mu4-sulfide-bridged tetranuclear CuZ cluster in N2O reductase: pH effect on the edge ligand and its contribution to reactivity

scientific article published on 13 March 2007

Spectroscopy and bonding in side-on and end-on Cu2(S2) cores: comparison to peroxide analogues.

scientific article published in May 2003

Spectroscopy and electronic structures of mono- and binuclear high-valent non-heme iron-oxo systems

scientific article

Spectroscopy and redox chemistry of copper in mordenite

scientific article published in January 2014

Spectroscopy of non-heme iron thiolate complexes: insight into the electronic structure of the low-spin active site of nitrile hydratase

scientific article published on March 2005

Spin Interconversion of Heme-Peroxo-Copper Complexes Facilitated by Intramolecular Hydrogen-Bonding Interactions

scientific article published on 14 March 2019

Stepwise protonation and electron-transfer reduction of a primary copper-dioxygen adduct

scientific article

Structural and spectroscopic properties of the peroxodiferric intermediate of Ricinus communis soluble Δ9 desaturase

scientific article published on 14 February 2012

Structural characterization of a non-heme iron active site in zeolites that hydroxylates methane

article published in the Proceedings of the National Academy of Sciences of the United States of America

Structure and reactivity of a mononuclear non-haem iron(III)-peroxo complex

scientific article published on 26 October 2011

Structure of the Reduced Copper Active Site in Preprocessed Galactose Oxidase: Ligand Tuning for One-Electron O2 Activation in Cofactor Biogenesis

scientific article published on 14 September 2016

Structure-function correlations in oxygen activating non-heme iron enzymes

scientific article

Structure/function correlations over binuclear non-heme iron active sites

scientific article

Substrate activation for O2 reactions by oxidized metal centers in biology

scholarly article

Substrate and Lewis Acid Coordination Promote O-O Bond Cleavage of an Unreactive L2CuII2(O22-) Species to Form L2CuIII2(O)2 Cores with Enhanced Oxidative Reactivity

scientific article

Substrate and metal control of barrier heights for oxo transfer to Mo and W bis-dithiolene sites

scientific article published on 28 February 2012

Sulfur K-Edge XAS Studies of the Effect of DNA Binding on the [Fe4S4] Site in EndoIII and MutY.

scientific article published on 18 July 2017

Sulfur K-edge X-ray absorption spectroscopy and density functional calculations on Mo(IV) and Mo(VI)=O bis-dithiolenes: insights into the mechanism of oxo transfer in DMSO reductase and related functional analogues

scientific article

Sulfur K-edge X-ray absorption spectroscopy and density functional theory calculations on monooxo Mo(IV) and bisoxo Mo(VI) bis-dithiolenes: insights into the mechanism of oxo transfer in sulfite oxidase and its relation to the mechanism of DMSO redu

scientific article

Sulfur K-edge X-ray absorption spectroscopy and density functional theory calculations on superoxide reductase: role of the axial thiolate in reactivity

scientific article published on 22 September 2007

Sulfur K-edge XAS and DFT calculations on [Fe4S4]2+ clusters: effects of H-bonding and structural distortion on covalency and spin topology

scientific article published in November 2005

Sulfur K-edge XAS and DFT studies on NiII complexes with oxidized thiolate ligands: implications for the roles of oxidized thiolates in the active sites of Fe and Co nitrile hydratase

scientific article published on 15 May 2007

Sulfur K-edge XAS of WVO vs. MoVO bis(dithiolene) complexes: contributions of relativistic effects to electronic structure and reactivity of tungsten enzymes

scientific article

Sulfur donor atom effects on copper(I)/O(2) chemistry with thioanisole containing tetradentate N(3)S ligand leading to μ-1,2-peroxo-dicopper(II) species

scientific article

Synthesis, characterization, and reactivities of manganese(V)-oxo porphyrin complexes

scientific article

Synthesis, structural, and spectroscopic characterization and reactivities of mononuclear cobalt(III)-peroxo complexes

scientific article

Systematic Perturbations of Binuclear Non-heme Iron Sites: Structure and Dioxygen Reactivity of de Novo Due Ferri Proteins

scientific article published on 24 July 2015

Systematic perturbation of the trinuclear copper cluster in the multicopper oxidases: the role of active site asymmetry in its reduction of O2 to H2O

scientific article

Temperature dependence of the magnetic susceptibility of cobalt(II) stellacyanin ⬇️

scientific article published on April 19, 1976

The Electronic Structure of the Metal Active Site Determines the Geometric Structure and Function of the Metalloregulator NikR

scientific article published on 14 August 2019

The active site of low-temperature methane hydroxylation in iron-containing zeolites

scientific article published on 17 August 2016

The nature of the binuclear copper site in Limulus and other hemocyanins

scientific article published on 01 January 1982

The role of chloride in the mechanism of O(2) activation at the mononuclear nonheme Fe(II) center of the halogenase HctB.

scientific article published on 16 June 2014

The three-his triad in Dke1: comparisons to the classical facial triad

scientific article

The two oxidized forms of the trinuclear Cu cluster in the multicopper oxidases and mechanism for the decay of the native intermediate

scholarly article

Thermodynamic equilibrium between blue and green copper sites and the role of the protein in controlling function

scholarly article

Thioether S-ligation in a side-on micro-eta2:eta2-peroxodicopperii complex

scientific article

Toluene and ethylbenzene aliphatic C-H bond oxidations initiated by a dicopper(II)-mu-1,2-peroxo complex

scientific article published on March 2009

Transition-metal ions in zeolites: coordination and activation of oxygen

scientific article published on April 2010

Tuning of the copper-thioether bond in tetradentate N₃S(thioether) ligands; O-O bond reductive cleavage via a [Cu(II)₂(μ-1,2-peroxo)]²⁺/[Cu(III)₂(μ-oxo)₂]²⁺ equilibrium

scientific article

Tuning the Geometric and Electronic Structure of Synthetic High-Valent Heme Iron(IV)-Oxo Models in the Presence of a Lewis Acid and Various Axial Ligands

scientific article published on 29 March 2019

Two-Electron Reduction versus One-Electron Oxidation of the Type 3 Pair in the Multicopper Oxidases

scientific article published in July 2015

Tyrosinase reactivity in a model complex: an alternative hydroxylation mechanism

scientific article

VTVH-MCD and DFT studies of thiolate bonding to [FeNO]7/[FeO2]8 complexes of isopenicillin N synthase: substrate determination of oxidase versus oxygenase activity in nonheme Fe enzymes

scientific article published on 17 May 2007

Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework

scientific article published on 14 December 2020

Variable-temperature, variable-field magnetic circular dichroism studies of tris-hydroxy- and mu3-oxo-bridged trinuclear Cu(II) complexes: evaluation of proposed structures of the native intermediate of the multicopper oxidases

scientific article published in October 2005

X-ray Absorption Spectroscopy as a Probe of Ligand Noninnocence in Metallocorroles: The Case of Copper Corroles

scientific article published on 02 May 2019

X-ray absorption edge spectroscopy and computational studies on LCuO2 species: Superoxide-Cu(II) versus peroxide-Cu(III) bonding

scientific article published on June 2006

X-ray absorption spectroscopic and computational investigation of a possible S···S interaction in the [Cu3S2]3+ core

scientific article

X-ray absorption spectroscopic and theoretical studies on (L)2[Cu2(S2)n]2+ complexes: disulfide versus disulfide(*1-) bonding

scientific article published on 13 December 2007

X-ray absorption spectroscopic investigation of Fe(II)-peplomycin and peplomycin derivatives: the effect of axial ligation on Fe-pyrimidine back-bonding

scientific article published on 2 August 2001

X-ray absorption spectroscopic investigation of the resting ferrous and cosubstrate-bound active sites of phenylalanine hydroxylase

scientific article

X-ray absorption spectroscopy and density functional theory studies of [(H3buea)FeIII-X]n- (X = S2-, O2-, OH-): comparison of bonding and hydrogen bonding in oxo and sulfido complexes

scientific article

X-ray absorption spectroscopy of folded and unfolded copper(I) azurin

article published in 2000

XAS and DFT investigation of mononuclear cobalt(III) peroxo complexes: electronic control of the geometric structure in CoO2 versus NiO2 systems

scientific article

[Cu2O]2+ active site formation in Cu-ZSM-5: geometric and electronic structure requirements for N2O activation

scientific article published on 21 February 2014

mu-eta2:eta2-peroxodicopper(II) complex with a secondary diamine ligand: a functional model of tyrosinase

scientific article

π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity

scientific article

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