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

Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity. J Am Chem Soc (2007) 1.74

Metallo-intercalators and metallo-insertors. Chem Commun (Camb) (2007) 1.70

Large ground-state entropy changes for hydrogen atom transfer reactions of iron complexes. J Am Chem Soc (2007) 1.57

Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sites. Curr Opin Chem Biol (2009) 1.26

Trends in ground-state entropies for transition metal based hydrogen atom transfer reactions. J Am Chem Soc (2009) 1.15

A monomeric Mn(III)-peroxo complex derived directly from dioxygen. J Am Chem Soc (2008) 1.12

Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding. Proc Natl Acad Sci U S A (2008) 1.08

Catalytic reduction of dioxygen to water with a monomeric manganese complex at room temperature. J Am Chem Soc (2011) 1.05

Definition of the intermediates and mechanism of the anticancer drug bleomycin using nuclear resonance vibrational spectroscopy and related methods. Proc Natl Acad Sci U S A (2010) 0.99

Geometric and electronic structure contributions to function in non-heme iron enzymes. Acc Chem Res (2013) 0.94

Comparison of high-spin and low-spin nonheme Fe(III)-OOH complexes in O-O bond homolysis and H-atom abstraction reactivities. J Am Chem Soc (2013) 0.92

S K-edge XAS and DFT calculations on cytochrome P450: covalent and ionic contributions to the cysteine-Fe bond and their contribution to reactivity. J Am Chem Soc (2009) 0.92

Further insights into the mechanism of the reaction of activated bleomycin with DNA. Proc Natl Acad Sci U S A (2008) 0.91

Reactivities of Fe(IV) complexes with oxo, hydroxo, and alkylperoxo ligands: an experimental and computational study. Inorg Chem (2009) 0.81

Differences and comparisons of the properties and reactivities of iron(III)-hydroperoxo complexes with saturated coordination sphere. Chemistry (2014) 0.79

Systematic characterization on electronic structures and spectra for a series of complexes, M(IDB)Cl2 (M = Mn, Fe, Co, Ni, Cu and Zn): a theoretical study. J Mol Model (2008) 0.77

Profile of Edward I. Solomon. Proc Natl Acad Sci U S A (2006) 0.75

O2 Activation by Non-Heme Iron Enzymes. Biochemistry (2016) 0.75

Electrochemical study of a nonheme Fe(ii) complex in the presence of dioxygen. Insights into the reductive activation of O2 at Fe(ii) centers. Chem Sci (2014) 0.75

Tyrosinase reactivity in a model complex: an alternative hydroxylation mechanism. Science (2005) 2.23

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. J Am Chem Soc (2004) 2.01

Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity. J Am Chem Soc (2007) 1.74

Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes. Proc Natl Acad Sci U S A (2006) 1.63

Solvent tuning of electrochemical potentials in the active sites of HiPIP versus ferredoxin. Science (2007) 1.63

A [Cu2O]2+ core in Cu-ZSM-5, the active site in the oxidation of methane to methanol. Proc Natl Acad Sci U S A (2009) 1.62

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. J Am Chem Soc (2003) 1.56

A 1:1 copper-dioxygen adduct is an end-on bound superoxo copper(II) complex which undergoes oxygenation reactions with phenols. J Am Chem Soc (2007) 1.54

Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge X-ray absorption spectroscopy. J Am Chem Soc (2003) 1.52

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. J Am Chem Soc (2007) 1.50

Mechanism of N2O reduction by the mu4-S tetranuclear CuZ cluster of nitrous oxide reductase. J Am Chem Soc (2006) 1.46

O2 activation by binuclear Cu sites: noncoupled versus exchange coupled reaction mechanisms. Proc Natl Acad Sci U S A (2004) 1.46

Dioxygen activation by copper, heme and non-heme iron enzymes: comparison of electronic structures and reactivities. Curr Opin Chem Biol (2005) 1.46

X-ray absorption edge spectroscopy and computational studies on LCuO2 species: Superoxide-Cu(II) versus peroxide-Cu(III) bonding. J Am Chem Soc (2006) 1.45

Nature of the peroxo intermediate of the W48F/D84E ribonucleotide reductase variant: implications for O2 activation by binuclear non-heme iron enzymes. J Am Chem Soc (2004) 1.43

CD and MCD of CytC3 and taurine dioxygenase: role of the facial triad in alpha-KG-dependent oxygenases. J Am Chem Soc (2007) 1.41

Structure and reactivity of a mononuclear non-haem iron(III)-peroxo complex. Nature (2011) 1.40

L-edge X-ray absorption spectroscopy of non-heme iron sites: experimental determination of differential orbital covalency. J Am Chem Soc (2003) 1.39

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. Biochemistry (2004) 1.36

Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV[double bond]O complex. J Am Chem Soc (2004) 1.35

Density-functional investigation on the mechanism of H-atom abstraction by lipoxygenase. J Biol Inorg Chem (2002) 1.34

Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations. Chemistry (2007) 1.30

Spectroscopic properties and electronic structure of five- and six-coordinate iron(II) porphyrin NO complexes: Effect of the axial N-donor ligand. Inorg Chem (2006) 1.30

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. J Am Chem Soc (2002) 1.30

Sulfur K-edge X-ray absorption spectroscopy as a probe of ligand-metal bond covalency: metal vs ligand oxidation in copper and nickel dithiolene complexes. J Am Chem Soc (2007) 1.29

Structure-function correlations in oxygen activating non-heme iron enzymes. Chem Commun (Camb) (2005) 1.28

Rapid C-H bond activation by a monocopper(III)-hydroxide complex. J Am Chem Soc (2011) 1.27

Normal mode analysis of Pyrococcus furiosus rubredoxin via nuclear resonance vibrational spectroscopy (NRVS) and resonance raman spectroscopy. J Am Chem Soc (2005) 1.26

Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sites. Curr Opin Chem Biol (2009) 1.26

Cupric superoxo-mediated intermolecular C-H activation chemistry. J Am Chem Soc (2011) 1.26

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. J Am Chem Soc (2007) 1.26

Synthesis, characterization, and reactivities of manganese(V)-oxo porphyrin complexes. J Am Chem Soc (2007) 1.25

Fe L-edge XAS studies of K4[Fe(CN)6] and K3[Fe(CN)6]: a direct probe of back-bonding. J Am Chem Soc (2006) 1.25

Dioxygen activation at a single copper site: structure, bonding, and mechanism of formation of 1:1 Cu-O2 adducts. J Am Chem Soc (2004) 1.24

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. Inorg Chem (2005) 1.24

Spectroscopic definition of the ferroxidase site in M ferritin: comparison of binuclear substrate vs cofactor active sites. J Am Chem Soc (2008) 1.24

Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2. Nature (2013) 1.22

Non-heme iron enzymes: contrasts to heme catalysis. Proc Natl Acad Sci U S A (2003) 1.21

Spectroscopic and density functional studies of the red copper site in nitrosocyanin: role of the protein in determining active site geometric and electronic structure. J Am Chem Soc (2005) 1.21

Electronic structure and reactivity of low-spin Fe(III)-hydroperoxo complexes: comparison to activated bleomycin. J Am Chem Soc (2002) 1.21

Preface: biomimetic inorganic chemistry. Chem Rev (2004) 1.20

Geometric and electronic structure and reactivity of a mononuclear "side-on" nickel(III)-peroxo complex. Nat Chem (2009) 1.19

Substrate activation for O2 reactions by oxidized metal centers in biology. Proc Natl Acad Sci U S A (2007) 1.19

Peroxo-type intermediates in class I ribonucleotide reductase and related binuclear non-heme iron enzymes. J Am Chem Soc (2009) 1.19

Comparison between the geometric and electronic structures and reactivities of [FeNO]7 and [FeO2]8 complexes: a density functional theory study. J Am Chem Soc (2004) 1.18

Contrasting copper-dioxygen chemistry arising from alike tridentate alkyltriamine copper(I) complexes. J Am Chem Soc (2002) 1.16

Toluene and ethylbenzene aliphatic C-H bond oxidations initiated by a dicopper(II)-mu-1,2-peroxo complex. J Am Chem Soc (2009) 1.16

Spectroscopic and electronic structure studies of the trinuclear Cu cluster active site of the multicopper oxidase laccase: nature of its coordination unsaturation. J Am Chem Soc (2005) 1.16

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. J Am Chem Soc (2003) 1.16

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. J Am Chem Soc (2005) 1.15

A functional nitric oxide reductase model. Proc Natl Acad Sci U S A (2008) 1.14

Shall we dance? How a multicopper oxidase chooses its electron transfer partner. Acc Chem Res (2007) 1.14

Spectroscopy and electronic structures of mono- and binuclear high-valent non-heme iron-oxo systems. J Inorg Biochem (2006) 1.13

Electronic structure of six-coordinate iron(III)-porphyrin NO adducts: the elusive iron(III)-NO(radical) state and its influence on the properties of these complexes. J Am Chem Soc (2008) 1.13

Ferrous binding to the multicopper oxidases Saccharomyces cerevisiae Fet3p and human ceruloplasmin: contributions to ferroxidase activity. J Am Chem Soc (2004) 1.12

Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins. Nat Chem (2012) 1.11

Spectroscopy and kinetics of wild-type and mutant tyrosine hydroxylase: mechanistic insight into O2 activation. J Am Chem Soc (2009) 1.11

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. J Am Chem Soc (2007) 1.10

Spectroscopic and electronic structure studies of 2,3-dihydroxybiphenyl 1,2-dioxygenase: O2 reactivity of the non-heme ferrous site in extradiol dioxygenases. J Am Chem Soc (2003) 1.10

Structural and electronic differences of copper(I) complexes with tris(pyrazolyl)methane and hydrotris(pyrazolyl)borate ligands. Inorg Chem (2006) 1.10

A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates. Angew Chem Int Ed Engl (2008) 1.10

Structural basis of the ferrous iron specificity of the yeast ferroxidase, Fet3p. Biochemistry (2006) 1.09

Intramolecular single-turnover reaction in a cytochrome C oxidase model bearing a Tyr244 mimic. J Am Chem Soc (2007) 1.09

How does single oxygen atom addition affect the properties of an Fe-nitrile hydratase analogue? The compensatory role of the unmodified thiolate. J Am Chem Soc (2006) 1.09

A combined quantum and molecular mechanical study of the O2 reductive cleavage in the catalytic cycle of multicopper oxidases. Inorg Chem (2005) 1.08

mu-eta2:eta2-peroxodicopper(II) complex with a secondary diamine ligand: a functional model of tyrosinase. J Am Chem Soc (2006) 1.08

Activation of N2O reduction by the fully reduced micro4-sulfide bridged tetranuclear Cu Z cluster in nitrous oxide reductase. J Am Chem Soc (2003) 1.07

Copper-dioxygen adducts and the side-on peroxo dicopper(II)/bis(mu-oxo) dicopper(III) equilibrium: Significant ligand electronic effects. Inorg Chem (2006) 1.07

Fe L- and K-edge XAS of low-spin ferric corrole: bonding and reactivity relative to low-spin ferric porphyrin. Inorg Chem (2009) 1.06

Binding and activation of nitrite and nitric oxide by copper nitrite reductase and corresponding model complexes. Dalton Trans (2011) 1.06

Spectroscopic characterization of soybean lipoxygenase-1 mutants: the role of second coordination sphere residues in the regulation of enzyme activity. Biochemistry (2003) 1.06

Spectroscopic characterization and O2 reactivity of the trinuclear Cu cluster of mutants of the multicopper oxidase Fet3p. Biochemistry (2002) 1.06

Spectroscopy and bonding in side-on and end-on Cu2(S2) cores: comparison to peroxide analogues. J Am Chem Soc (2003) 1.06

Sulfur K-edge XAS and DFT calculations on nitrile hydratase: geometric and electronic structure of the non-heme iron active site. J Am Chem Soc (2006) 1.05

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. J Am Chem Soc (2004) 1.05

Metal and ligand K-edge XAS of organotitanium complexes: metal 4p and 3d contributions to pre-edge intensity and their contributions to bonding. J Am Chem Soc (2005) 1.05

Role of aspartate 94 in the decay of the peroxide intermediate in the multicopper oxidase Fet3p. Biochemistry (2005) 1.05

The two oxidized forms of the trinuclear Cu cluster in the multicopper oxidases and mechanism for the decay of the native intermediate. Proc Natl Acad Sci U S A (2007) 1.05

Sulfur K-edge X-ray absorption spectroscopy and density functional theory calculations on superoxide reductase: role of the axial thiolate in reactivity. J Am Chem Soc (2007) 1.04

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. J Am Chem Soc (2006) 1.04

N2O reduction by the mu4-sulfide-bridged tetranuclear CuZ cluster active site. Angew Chem Int Ed Engl (2004) 1.04

Spectroscopic and computational studies of an end-on bound superoxo-Cu(II) complex: geometric and electronic factors that determine the ground state. Inorg Chem (2010) 1.04

Spectroscopic and kinetic studies of PKU-inducing mutants of phenylalanine hydroxylase: Arg158Gln and Glu280Lys. J Am Chem Soc (2003) 1.03

Iron L-edge X-ray absorption spectroscopy of oxy-picket fence porphyrin: experimental insight into Fe-O2 bonding. J Am Chem Soc (2013) 1.03

Copper(I) complex O(2)-reactivity with a N(3)S thioether ligand: a copper-dioxygen adduct including sulfur ligation, ligand oxygenation, and comparisons with all nitrogen ligand analogues. Inorg Chem (2007) 1.03

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. J Am Chem Soc (2007) 1.03

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. J Am Chem Soc (2005) 1.03

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. J Am Chem Soc (2002) 1.03

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. J Am Chem Soc (2007) 1.02

Vibrational assignments of six-coordinate ferrous heme nitrosyls: new insight from nuclear resonance vibrational spectroscopy. Inorg Chem (2008) 1.02

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. J Am Chem Soc (2004) 1.02

CD and MCD studies of the effects of component B variant binding on the biferrous active site of methane monooxygenase. Biochemistry (2008) 1.01

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. J Am Chem Soc (2004) 1.01

Synthesis, structural, and spectroscopic characterization and reactivities of mononuclear cobalt(III)-peroxo complexes. J Am Chem Soc (2010) 1.01

Heme-copper-dioxygen complexes: toward understanding ligand-environmental effects on the coordination geometry, electronic structure, and reactivity. Inorg Chem (2010) 1.01

Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials. J Am Chem Soc (2005) 1.01

Thermodynamic equilibrium between blue and green copper sites and the role of the protein in controlling function. Proc Natl Acad Sci U S A (2009) 1.01