PubRank

Edward I Solomon

Author PubWeight™ 250.54‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Tyrosinase reactivity in a model complex: an alternative hydroxylation mechanism. Science 2005 2.23
2 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
3 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
4 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
5 Solvent tuning of electrochemical potentials in the active sites of HiPIP versus ferredoxin. Science 2007 1.63
6 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
7 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
8 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
9 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
10 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
11 Mechanism of N2O reduction by the mu4-S tetranuclear CuZ cluster of nitrous oxide reductase. J Am Chem Soc 2006 1.46
12 O2 activation by binuclear Cu sites: noncoupled versus exchange coupled reaction mechanisms. Proc Natl Acad Sci U S A 2004 1.46
13 Dioxygen activation by copper, heme and non-heme iron enzymes: comparison of electronic structures and reactivities. Curr Opin Chem Biol 2005 1.46
14 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
15 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
16 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
17 Structure and reactivity of a mononuclear non-haem iron(III)-peroxo complex. Nature 2011 1.40
18 L-edge X-ray absorption spectroscopy of non-heme iron sites: experimental determination of differential orbital covalency. J Am Chem Soc 2003 1.39
19 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
20 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
21 Density-functional investigation on the mechanism of H-atom abstraction by lipoxygenase. J Biol Inorg Chem 2002 1.34
22 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
23 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
24 Direct hydrogen-atom abstraction by activated bleomycin: an experimental and computational study. J Am Chem Soc 2006 1.29
25 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
26 Structure-function correlations in oxygen activating non-heme iron enzymes. Chem Commun (Camb) 2005 1.28
27 Rapid C-H bond activation by a monocopper(III)-hydroxide complex. J Am Chem Soc 2011 1.27
28 Normal mode analysis of Pyrococcus furiosus rubredoxin via nuclear resonance vibrational spectroscopy (NRVS) and resonance raman spectroscopy. J Am Chem Soc 2005 1.26
29 Cupric superoxo-mediated intermolecular C-H activation chemistry. J Am Chem Soc 2011 1.26
30 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
31 Synthesis, characterization, and reactivities of manganese(V)-oxo porphyrin complexes. J Am Chem Soc 2007 1.25
32 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
33 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
34 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
35 Spectroscopic definition of the ferroxidase site in M ferritin: comparison of binuclear substrate vs cofactor active sites. J Am Chem Soc 2008 1.24
36 Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2. Nature 2013 1.22
37 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
38 Electronic structure and reactivity of low-spin Fe(III)-hydroperoxo complexes: comparison to activated bleomycin. J Am Chem Soc 2002 1.21
39 Preface: biomimetic inorganic chemistry. Chem Rev 2004 1.20
40 Geometric and electronic structure and reactivity of a mononuclear "side-on" nickel(III)-peroxo complex. Nat Chem 2009 1.19
41 Substrate activation for O2 reactions by oxidized metal centers in biology. Proc Natl Acad Sci U S A 2007 1.19
42 Peroxo-type intermediates in class I ribonucleotide reductase and related binuclear non-heme iron enzymes. J Am Chem Soc 2009 1.19
43 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
44 Contrasting copper-dioxygen chemistry arising from alike tridentate alkyltriamine copper(I) complexes. J Am Chem Soc 2002 1.16
45 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
46 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
47 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
48 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
49 Shall we dance? How a multicopper oxidase chooses its electron transfer partner. Acc Chem Res 2007 1.14
50 A functional nitric oxide reductase model. Proc Natl Acad Sci U S A 2008 1.14
51 Spectroscopy and electronic structures of mono- and binuclear high-valent non-heme iron-oxo systems. J Inorg Biochem 2006 1.13
52 Ferrous binding to the multicopper oxidases Saccharomyces cerevisiae Fet3p and human ceruloplasmin: contributions to ferroxidase activity. J Am Chem Soc 2004 1.12
53 Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins. Nat Chem 2012 1.11
54 Spectroscopy and kinetics of wild-type and mutant tyrosine hydroxylase: mechanistic insight into O2 activation. J Am Chem Soc 2009 1.11
55 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
56 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
57 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
58 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
59 Structural basis of the ferrous iron specificity of the yeast ferroxidase, Fet3p. Biochemistry 2006 1.09
60 Intramolecular single-turnover reaction in a cytochrome C oxidase model bearing a Tyr244 mimic. J Am Chem Soc 2007 1.09
61 A combined quantum and molecular mechanical study of the O2 reductive cleavage in the catalytic cycle of multicopper oxidases. Inorg Chem 2005 1.08
62 mu-eta2:eta2-peroxodicopper(II) complex with a secondary diamine ligand: a functional model of tyrosinase. J Am Chem Soc 2006 1.08
63 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
64 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
65 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
66 Spectroscopic characterization of soybean lipoxygenase-1 mutants: the role of second coordination sphere residues in the regulation of enzyme activity. Biochemistry 2003 1.06
67 Spectroscopic characterization and O2 reactivity of the trinuclear Cu cluster of mutants of the multicopper oxidase Fet3p. Biochemistry 2002 1.06
68 Spectroscopy and bonding in side-on and end-on Cu2(S2) cores: comparison to peroxide analogues. J Am Chem Soc 2003 1.06
69 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
70 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
71 Role of aspartate 94 in the decay of the peroxide intermediate in the multicopper oxidase Fet3p. Biochemistry 2005 1.05
72 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
73 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
74 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
75 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
76 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
77 N2O reduction by the mu4-sulfide-bridged tetranuclear CuZ cluster active site. Angew Chem Int Ed Engl 2004 1.04
78 Spectroscopic and kinetic studies of PKU-inducing mutants of phenylalanine hydroxylase: Arg158Gln and Glu280Lys. J Am Chem Soc 2003 1.03
79 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
80 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
81 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
82 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
83 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
84 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
85 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
86 CD and MCD studies of the effects of component B variant binding on the biferrous active site of methane monooxygenase. Biochemistry 2008 1.01
87 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
88 Synthesis, structural, and spectroscopic characterization and reactivities of mononuclear cobalt(III)-peroxo complexes. J Am Chem Soc 2010 1.01
89 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
90 Heme-copper-dioxygen complexes: toward understanding ligand-environmental effects on the coordination geometry, electronic structure, and reactivity. Inorg Chem 2010 1.01
91 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
92 Rapid-freeze-quench magnetic circular dichroism of intermediate X in ribonucleotide reductase: new structural insight. J Am Chem Soc 2003 1.00
93 Transition-metal ions in zeolites: coordination and activation of oxygen. Inorg Chem 2010 1.00
94 Spectroscopic and DFT studies of second-sphere variants of the type 1 copper site in azurin: covalent and nonlocal electrostatic contributions to reduction potentials. J Am Chem Soc 2012 0.99
95 S K-edge X-ray absorption spectroscopic investigation of the Ni-containing superoxide dismutase active site: new structural insight into the mechanism. J Am Chem Soc 2004 0.99
96 Nuclear resonance vibrational spectroscopy on the Fe(IV)=O S=2 non-heme site in TMG3tren: experimentally calibrated insights into reactivity. Angew Chem Int Ed Engl 2011 0.99
97 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
98 π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity. Proc Natl Acad Sci U S A 2012 0.99
99 Intermediates involved in the two electron reduction of NO to N2O by a functional synthetic model of heme containing bacterial NO reductase. J Am Chem Soc 2008 0.99
100 Spectroscopy of non-heme iron thiolate complexes: insight into the electronic structure of the low-spin active site of nitrile hydratase. Inorg Chem 2005 0.99
101 X-ray absorption spectroscopic and theoretical studies on (L)2[Cu2(S2)n]2+ complexes: disulfide versus disulfide(*1-) bonding. J Am Chem Soc 2007 0.98
102 Reaction of elemental sulfur with a copper(I) complex forming a trans-mu-1,2 end-on disulfide complex: new directions in copper-sulfur chemistry. J Am Chem Soc 2003 0.98
103 Activation of α-keto acid-dependent dioxygenases: application of an {FeNO}7/{FeO2}8 methodology for characterizing the initial steps of O2 activation. J Am Chem Soc 2011 0.98
104 Fe L-edge X-ray absorption spectroscopy determination of differential orbital covalency of siderophore model compounds: electronic structure contributions to high stability constants. J Am Chem Soc 2010 0.98
105 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. Inorg Chem 2008 0.97
106 Spectroscopic evidence for a heme-superoxide/Cu(I) intermediate in a functional model of cytochrome c oxidase. J Am Chem Soc 2003 0.97
107 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. J Am Chem Soc 2007 0.97
108 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. J Am Chem Soc 2003 0.97
109 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. J Am Chem Soc 2008 0.96
110 [Fe(IV)═O(TBC)(CH3CN)]2+: comparative reactivity of iron(IV)-oxo species with constrained equatorial cyclam ligation. J Am Chem Soc 2012 0.96
111 Spectroscopic and electronic structure study of the enzyme-substrate complex of intradiol dioxygenases: substrate activation by a high-spin ferric non-heme iron site. J Am Chem Soc 2007 0.96
112 Copper(I)/O2 chemistry with imidazole containing tripodal tetradentate ligands leading to mu-1,2-peroxo-dicopper(II) species. Inorg Chem 2009 0.96
113 Spectroscopic studies of 1-aminocyclopropane-1-carboxylic acid oxidase: molecular mechanism and CO(2) activation in the biosynthesis of ethylene. J Am Chem Soc 2002 0.96
114 Interaction of nitric oxide with a functional model of cytochrome c oxidase. Proc Natl Acad Sci U S A 2008 0.96
115 Comparison of FeIV=O heme and non-heme species: electronic structures, bonding, and reactivities. Angew Chem Int Ed Engl 2005 0.96
116 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. Inorg Chem 2010 0.96
117 Ligand K-edge X-ray absorption spectroscopy and DFT calculations on [Fe3S4]0,+ clusters: delocalization, redox, and effect of the protein environment. J Am Chem Soc 2004 0.96
118 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. Biochemistry 2010 0.95
119 Sulfur K-edge XAS and DFT calculations on [Fe4S4]2+ clusters: effects of H-bonding and structural distortion on covalency and spin topology. Inorg Chem 2005 0.95
120 Structural and spectroscopic properties of the peroxodiferric intermediate of Ricinus communis soluble Δ9 desaturase. Inorg Chem 2012 0.94
121 Cu-ZSM-5: A biomimetic inorganic model for methane oxidation. J Catal 2011 0.94
122 Geometric and electronic structure studies of the binuclear nonheme ferrous active site of toluene-4-monooxygenase: parallels with methane monooxygenase and insight into the role of the effector proteins in O2 activation. J Am Chem Soc 2008 0.94
123 Spectroscopic and electronic structure studies of protocatechuate 3,4-dioxygenase: nature of tyrosinate-Fe(III) bonds and their contribution to reactivity. J Am Chem Soc 2002 0.94
124 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. J Am Chem Soc 2003 0.94
125 Mechanistic insights into the oxidation of substituted phenols via hydrogen atom abstraction by a cupric-superoxo complex. J Am Chem Soc 2014 0.93
126 X-ray absorption spectroscopic investigation of the resting ferrous and cosubstrate-bound active sites of phenylalanine hydroxylase. Biochemistry 2002 0.93
127 Polarized X-ray absorption spectroscopy of single-crystal Mn(V) complexes relevant to the oxygen-evolving complex of photosystem II. J Am Chem Soc 2007 0.93
128 Electronic structure description of the mu(4)-sulfide bridged tetranuclear Cu(Z) center in N(2)O reductase. J Am Chem Soc 2002 0.93
129 Reaction coordinate of a functional model of tyrosinase: spectroscopic and computational characterization. J Am Chem Soc 2009 0.93
130 Oxygen reactivity of the biferrous site in the de novo designed four helix bundle peptide DFsc: nature of the "intermediate" and reaction mechanism. J Am Chem Soc 2008 0.93
131 Spectroscopic elucidation of a new heme/copper dioxygen structure type: implications for O···O bond rupture in cytochrome c oxidase. Angew Chem Int Ed Engl 2011 0.93
132 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. Biochemistry 2008 0.93
133 A peroxynitrite complex of copper: formation from a copper-nitrosyl complex, transformation to nitrite and exogenous phenol oxidative coupling or nitration. J Biol Inorg Chem 2009 0.92
134 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
135 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
136 Systematic perturbation of the trinuclear copper cluster in the multicopper oxidases: the role of active site asymmetry in its reduction of O2 to H2O. J Am Chem Soc 2010 0.92
137 Spectroscopic studies of the mononuclear non-heme Fe(II) enzyme FIH: second-sphere contributions to reactivity. J Am Chem Soc 2013 0.92
138 Ligand K-edge X-ray absorption spectroscopy of [Fe4S4]1+,2+,3+ clusters: changes in bonding and electronic relaxation upon redox. J Am Chem Soc 2004 0.91
139 Electronic structure of a low-spin heme/Cu peroxide complex: spin-state and spin-topology contributions to reactivity. Inorg Chem 2011 0.91
140 A stabilized mu-eta(2):eta(2) peroxodicopper(II) complex with a secondary diamine ligand and its tyrosinase-like reactivity. J Am Chem Soc 2002 0.91
141 Reaction of a copper-dioxygen complex with nitrogen monoxide (*NO) leads to a copper(II)-peroxynitrite species. J Am Chem Soc 2008 0.91
142 Further insights into the mechanism of the reaction of activated bleomycin with DNA. Proc Natl Acad Sci U S A 2008 0.91
143 Metal-ligand covalency of iron complexes from high-resolution resonant inelastic X-ray scattering. J Am Chem Soc 2013 0.90
144 Spectroscopic investigation of stellacyanin mutants: axial ligand interactions at the blue copper site. J Am Chem Soc 2003 0.90
145 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. Biochemistry 2010 0.90
146 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. Inorg Chem 2004 0.90
147 MXAN analysis of the XANES energy region of a mononuclear copper complex: applications to bioinorganic systems. Inorg Chem 2005 0.90
148 Oxygen binding of water-soluble cobalt porphyrins in aqueous solution. Inorg Chem 2005 0.89
149 A N3S(thioether)-ligated Cu(II)-superoxo with enhanced reactivity. J Am Chem Soc 2015 0.89
150 Electronic structure and reactivity of high-spin iron--alkyl- and--pterinperoxo complexes. Inorg Chem 2003 0.89
151 Correlation of the electronic and geometric structures in mononuclear copper(II) superoxide complexes. Inorg Chem 2013 0.89
152 Ground-state electronic and magnetic properties of a mu3-oxo-bridged trinuclear Cu(II) complex: correlation to the native intermediate of the multicopper oxidases. Inorg Chem 2005 0.89
153 New insights into structure and luminescence of Eu(III) and Sm(III) complexes of the 3,4,3-LI(1,2-HOPO) ligand. J Am Chem Soc 2015 0.88
154 The three-his triad in Dke1: comparisons to the classical facial triad. Biochemistry 2010 0.88
155 Targeted suppression of the ferroxidase and iron trafficking activities of the multicopper oxidase Fet3p from Saccharomyces cerevisiae. J Biol Inorg Chem 2003 0.88
156 Reactive intermediates in oxygenation reactions with mononuclear nonheme iron catalysts. Angew Chem Int Ed Engl 2009 0.88
157 Sulfur K-edge XAS of WVO vs. MoVO bis(dithiolene) complexes: contributions of relativistic effects to electronic structure and reactivity of tungsten enzymes. J Inorg Biochem 2007 0.88
158 Geometric and electronic structure differences between the type 3 copper sites of the multicopper oxidases and hemocyanin/tyrosinase. Proc Natl Acad Sci U S A 2009 0.88
159 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. Biochemistry 2009 0.87
160 Spectroscopic and density functional theory studies of the blue-copper site in M121SeM and C112SeC azurin: Cu-Se versus Cu-S bonding. J Am Chem Soc 2008 0.87
161 Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand. Chem Sci 2013 0.87
162 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. Inorg Chem 2008 0.87
163 Resolution of the spectroscopy versus crystallography issue for NO intermediates of nitrite reductase from Rhodobacter sphaeroides. J Am Chem Soc 2007 0.87
164 Oxygen precursor to the reactive intermediate in methanol synthesis by Cu-ZSM-5. J Am Chem Soc 2010 0.87
165 Bis(μ-oxo) dicopper(III) species of the simplest peralkylated diamine: enhanced reactivity toward exogenous substrates. Inorg Chem 2010 0.87
166 Stepwise protonation and electron-transfer reduction of a primary copper-dioxygen adduct. J Am Chem Soc 2013 0.87
167 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. J Am Chem Soc 2011 0.87
168 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. J Am Chem Soc 2013 0.87
169 Determination of the active form of the tetranuclear copper sulfur cluster in nitrous oxide reductase. J Am Chem Soc 2014 0.87
170 Spectroscopic and electronic structure studies of the role of active site interactions in the decarboxylation reaction of alpha-keto acid-dependent dioxygenases. J Inorg Biochem 2006 0.86
171 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. J Am Chem Soc 2010 0.86
172 Reaction coordinate of isopenicillin N synthase: oxidase versus oxygenase activity. Biochemistry 2010 0.86
173 Exogenous nitrile substrate hydroxylation by a new dicopper-hydroperoxide complex. J Am Chem Soc 2005 0.86
174 A "naked" Fe(III)-(O₂²⁻)-Cu(II) species allows for structural and spectroscopic tuning of low-spin heme-peroxo-Cu complexes. J Am Chem Soc 2015 0.86
175 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. Inorg Chem 2003 0.86
176 [Cu2O]2+ active site formation in Cu-ZSM-5: geometric and electronic structure requirements for N2O activation. J Am Chem Soc 2014 0.85
177 Frontier molecular orbital analysis of Cu(n)-O(2) reactivity. J Inorg Biochem 2002 0.85
178 XAS and DFT investigation of mononuclear cobalt(III) peroxo complexes: electronic control of the geometric structure in CoO2 versus NiO2 systems. Inorg Chem 2010 0.85
179 Structure/function correlations among coupled binuclear copper proteins through spectroscopic and reactivity studies of NspF. Proc Natl Acad Sci U S A 2012 0.85
180 Perturbations to the geometric and electronic structure of the CuA site: factors that influence delocalization and their contributions to electron transfer. J Am Chem Soc 2008 0.85
181 Identification of the peroxy adduct in multicopper oxidases by a combination of computational chemistry and extended X-ray absorption fine-structure measurements. J Am Chem Soc 2007 0.85
182 Copper(I)/S(8) reversible reactions leading to an end-on bound dicopper(II) disulfide complex: nucleophilic reactivity and analogies to copper-dioxygen chemistry. J Am Chem Soc 2007 0.85
183 Amine oxidative N-dealkylation via cupric hydroperoxide Cu-OOH homolytic cleavage followed by site-specific fenton chemistry. J Am Chem Soc 2015 0.85
184 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. J Am Chem Soc 2014 0.85
185 Spectroscopic and computational studies of nitrite reductase: proton induced electron transfer and backbonding contributions to reactivity. J Am Chem Soc 2009 0.84
186 Preparation of non-heme {FeNO}7 models of cysteine dioxygenase: sulfur versus nitrogen ligation and photorelease of nitric oxide. J Am Chem Soc 2013 0.84
187 Observation of a Cu(II)(2) (μ-1,2-peroxo)/Cu(III)(2) (μ-oxo)(2) equilibrium and its implications for copper-dioxygen reactivity. Angew Chem Int Ed Engl 2014 0.84
188 Geometric and electronic structure of the heme-peroxo-copper complex [(F8TPP)FeIII-(O22-)-CuII(TMPA)](ClO4). J Am Chem Soc 2005 0.84
189 Dioxygen reactivity of a copper(I) complex with a N3S thioether chelate; peroxo-dicopper(II) formation including sulfur-ligation. Inorg Chem 2006 0.84
190 Circular dichroism and magnetic circular dichroism studies of the active site of p53R2 from human and mouse: iron binding and nature of the biferrous site relative to other ribonucleotide reductases. Biochemistry 2006 0.84
191 Spectroscopic and crystallographic characterization of "alternative resting" and "resting oxidized" enzyme forms of bilirubin oxidase: implications for activity and electrochemical behavior of multicopper oxidases. J Am Chem Soc 2012 0.84
192 Kinetic and spectroscopic studies of N694C lipoxygenase: a probe of the substrate activation mechanism of a nonheme ferric enzyme. J Am Chem Soc 2007 0.84
193 Spectroscopy and redox chemistry of copper in mordenite. Chemphyschem 2014 0.84
194 Resonant inelastic X-ray scattering on ferrous and ferric bis-imidazole porphyrin and cytochrome c: nature and role of the axial methionine-Fe bond. J Am Chem Soc 2014 0.84
195 Nuclear resonance vibrational spectroscopy and DFT study of peroxo-bridged biferric complexes: structural insight into peroxo intermediates of binuclear non-heme iron enzymes. Angew Chem Int Ed Engl 2012 0.83
196 Electron transfer and reaction mechanism of laccases. Cell Mol Life Sci 2015 0.83
197 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. J Am Chem Soc 2012 0.83
198 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. Inorg Chem 2010 0.83
199 Nuclear resonance vibrational spectroscopic and computational study of high-valent diiron complexes relevant to enzyme intermediates. Proc Natl Acad Sci U S A 2013 0.83
200 Spectroscopic and computational studies of α-keto acid binding to Dke1: understanding the role of the facial triad and the reactivity of β-diketones. J Am Chem Soc 2011 0.83
201 Spectroscopic and computational studies of NTBC bound to the non-heme iron enzyme (4-hydroxyphenyl)pyruvate dioxygenase: active site contributions to drug inhibition. Biochem Biophys Res Commun 2005 0.83
202 Kinetic, spectroscopic, and structural investigations of the soybean lipoxygenase-1 first-coordination sphere mutant, Asn694Gly. Biochemistry 2006 0.83
203 Spectroscopic and electronic structure studies of phenolate Cu(II) complexes: phenolate ring orientation and activation related to cofactor biogenesis. J Am Chem Soc 2008 0.83
204 Examples of high-frequency EPR studies in bioinorganic chemistry. J Biol Inorg Chem 2002 0.83
205 Distal metal effects in cobalt porphyrins related to CcO. Inorg Chem 2002 0.82
206 A variable temperature spectroscopic study on Paracoccuspantotrophus pseudoazurin: protein constraints on the blue Cu site. J Inorg Biochem 2009 0.82
207 The two-state issue in the mixed-valence binuclear CuA center in cytochrome C oxidase and N2O reductase. J Am Chem Soc 2006 0.82
208 Thioether S-ligation in a side-on micro-eta2:eta2-peroxodicopperii complex. Chem Commun (Camb) 2009 0.82
209 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. Biochemistry 2008 0.82
210 L-edge X-ray absorption spectroscopy and DFT calculations on Cu2O2 species: direct electrophilic aromatic attack by side-on peroxo bridged dicopper(II) complexes. J Am Chem Soc 2013 0.82
211 Anisotropic covalency contributions to superexchange pathways in type one copper active sites. J Am Chem Soc 2014 0.81
212 Solvation effects on S K-edge XAS spectra of Fe-S proteins: normal and inverse effects on WT and mutant rubredoxin. J Am Chem Soc 2010 0.81
213 Structure-function analysis of the cuprous oxidase activity in Fet3p from Saccharomyces cerevisiae. J Biol Chem 2007 0.81
214 Further insights into the spectroscopic properties, electronic structure, and kinetics of formation of the heme-peroxo-copper complex [(F8TPP)FeIII-(O2(2-)-CuII(TMPA)]+. Inorg Chem 2007 0.81
215 Multireference ab initio calculations on reaction intermediates of the multicopper oxidases. Inorg Chem 2006 0.81
216 Electronic structure contributions to electron-transfer reactivity in iron-sulfur active sites: 1. Photoelectron spectroscopic determination of electronic relaxation. Inorg Chem 2003 0.81
217 Electronic structure and its relation to function in copper proteins. Curr Opin Chem Biol 2002 0.81
218 Bilirubin oxidase from Bacillus pumilus: a promising enzyme for the elaboration of efficient cathodes in biofuel cells. Biosens Bioelectron 2012 0.81
219 Reinvestigation of the method used to map the electronic structure of blue copper proteins by NMR relaxation. J Biol Inorg Chem 2006 0.81
220 Spectroscopic studies of the effect of ligand donor strength on the Fe-NO bond intradiol dioxygenases. Inorg Chem 2003 0.80
221 X-ray absorption spectroscopic and computational investigation of a possible S···S interaction in the [Cu3S2]3+ core. J Am Chem Soc 2011 0.80
222 Electronic structure contributions to electron-transfer reactivity in iron-sulfur active sites: 2. Reduction potentials. Inorg Chem 2003 0.80
223 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. Biochemistry 2003 0.80
224 Molecular origin of rapid versus slow intramolecular electron transfer in the catalytic cycle of the multicopper oxidases. J Am Chem Soc 2013 0.80
225 Spectroscopic studies of the interaction of ferrous bleomycin with DNA. J Am Chem Soc 2003 0.80
226 Hydroxo-bridged dicopper(II,III) and -(III,III) complexes: models for putative intermediates in oxidation catalysis. J Am Chem Soc 2014 0.80
227 Axial ligation of Fe(II)-bleomycin probed by XANES spectroscopy. Inorg Chem 2004 0.79
228 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. Inorg Chem 2007 0.79
229 A codeposition route to CuI-pyridine coordination complexes for organic light-emitting diodes. J Am Chem Soc 2011 0.79
230 Axial interactions in the mixed-valent CuA active site and role of the axial methionine in electron transfer. Proc Natl Acad Sci U S A 2013 0.79
231 A zinc linchpin motif in the MUTYH glycosylase interdomain connector is required for efficient repair of DNA damage. J Am Chem Soc 2014 0.79
232 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. J Inorg Biochem 2012 0.78
233 Spectroscopic studies of the iron and manganese reconstituted tyrosyl radical in Bacillus cereus ribonucleotide reductase R2 protein. PLoS One 2012 0.78
234 Geometric structure determination of N694C lipoxygenase: a comparative near-edge X-ray absorption spectroscopy and extended X-ray absorption fine structure study. Inorg Chem 2008 0.78
235 Preface: Forum on dioxygen activation and reduction. Inorg Chem 2010 0.78
236 The role of chloride in the mechanism of O(2) activation at the mononuclear nonheme Fe(II) center of the halogenase HctB. J Am Chem Soc 2014 0.78
237 First- and second-sphere contributions to Fe(II) site activation by cosubstrate binding in non-heme Fe enzymes. Dalton Trans 2014 0.77
238 Molecular oxygen and sulfur reactivity of a cyclotriveratrylene derived trinuclear copper(I) complex. Inorg Chem 2009 0.77
239 Substrate and metal control of barrier heights for oxo transfer to Mo and W bis-dithiolene sites. Inorg Chem 2012 0.77
240 S K-edge XAS and DFT calculations on square-planar NiII-thiolate complexes: effects of active and passive H-bonding. Inorg Chem 2007 0.77
241 Modified reactivity toward O2 in first shell variants of Fet3p: geometric and electronic structure requirements for a functioning trinuclear copper cluster. Biochemistry 2013 0.77
242 Electronic structure contributions to electron-transfer reactivity in iron-sulfur active sites: 3. Kinetics of electron transfer. Inorg Chem 2003 0.77
243 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. J Am Chem Soc 2013 0.77
244 Metal and ligand K-edge XAS of titanium-TEMPO complexes: determination of oxidation states and insights into Ti-O bond homolysis. Inorg Chem 2006 0.77
245 Introduction: bioinorganic enzymology II. Chem Rev 2014 0.77
246 Mechanism of the reduction of the native intermediate in the multicopper oxidases: insights into rapid intramolecular electron transfer in turnover. J Am Chem Soc 2014 0.77
247 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. J Am Chem Soc 2013 0.76
248 Copper-sulfenate complex from oxidation of a cavity mutant of Pseudomonas aeruginosa azurin. Proc Natl Acad Sci U S A 2014 0.76
249 Density Functional Theory Calculations on Fe-O and O-O Cleavage of Ferric Hydroperoxide Species: Role of axial ligand and spin state. Inorganica Chim Acta 2010 0.76
250 Excited state potential energy surfaces and their interactions in Fe(IV)=O active sites. Dalton Trans 2014 0.76
251 Reactivity of the binuclear non-heme iron active site of Δ⁹ desaturase studied by large-scale multireference ab initio calculations. J Am Chem Soc 2014 0.76
252 Introduction: Bioinorganic enzymology II. Chem Rev 2014 0.76
253 Spectroscopic studies of single and double variants of M ferritin: lack of conversion of a biferrous substrate site into a cofactor site for O2 activation. Biochemistry 2014 0.75
254 Bilirubin oxidase from Magnaporthe oryzae: an attractive new enzyme for biotechnological applications. Appl Microbiol Biotechnol 2012 0.75
255 Multireference ab initio calculations of g tensors for trinuclear copper clusters in multicopper oxidases. J Phys Chem B 2010 0.75
256 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 reductase. J Am Chem Soc 2014 0.75
257 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. J Am Chem Soc 2017 0.75
258 Preface for the forum on insights into spectroscopy and reactivity from electronic structure theory. Inorg Chem 2014 0.75
259 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. Inorg Chem 2003 0.75
260 Hybrid genetic algorithm with an adaptive penalty function for fitting multimodal experimental data: application to exchange-coupled non-Kramers binuclear iron active sites. J Chem Inf Model 2011 0.75
261 A Mononuclear Nonheme Iron(V)-Imido Complex. J Am Chem Soc 2017 0.75
262 X-ray absorption spectroscopic investigation of Fe(II)-peplomycin and peplomycin derivatives: the effect of axial ligation on Fe-pyrimidine back-bonding. J Biol Inorg Chem 2001 0.75
263 Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)2(CN)2]. Struct Dyn 2017 0.75
264 Photoelectron spectroscopic and electronic structure studies of CH(2)O bonding and reactivity on ZnO surfaces: steps in the methanol synthesis reaction. Inorg Chem 2004 0.75