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Reaction Coordinate of a Functional Model of Tyrosinase: Spectroscopic and Computational Characterization
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Reversible Dioxygen Binding and Phenol Oxygenation in a Tyrosinase Model System
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Tetrakis(Acetonitrile)Copper(I) Hexafluorophosphate
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Optimization of equilibrium geometries and transition structures
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Theoretical study of the hydroxylation of phenolates by the Cu2O2(N,N′-dimethylethylenediamine)2 2+ complex
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A spin correction procedure for unrestricted Hartree-Fock and Møller-Plesset wavefunctions for singlet diradicals and polyradicals
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Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
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Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
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Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure
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VMD: Visual molecular dynamics
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Monooxygenase Activity of Octopus vulgaris Hemocyanin
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Electronic structures of active sites in copper proteins: contributions to reactivity
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Structure and Spectroscopy of Copper−Dioxygen Complexes
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Reactivity of Dioxygen−Copper Systems
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Multicopper Oxidases and Oxygenases
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Mechanisms Whereby Mononuclear Copper Proteins Functionalize Organic Substrates
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Dioxygen-copper reactivity and functional modeling of hemocyanins. Reversible binding of O2 and carbon monoxide to dicopper(I) complexes [CuI2(L)]2+ (L = dinucleating ligand) and the structure of a bis(carbonyl) adduct, [CuI2(L)(CO)2]2+
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Dicopper(I) Complexes of Unsymmetrical Binucleating Ligands and Their Dioxygen Reactivities
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Functional Modeling of Tyrosinase. Mechanism of Phenolortho-Hydroxylation by Dinuclear Copper Complexes
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.mu.-.eta.2:.eta.2-Peroxo binuclear copper complex, [Cu(HB(3,5-(Me2CH)2pz)3)]2(O2)
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Differential Reactivity between Interconvertible Side-On Peroxo and Bis-μ-oxodicopper Isomers Using Peralkylated Diamine Ligands
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Substrate analog binding to the coupled binuclear copper active site in tyrosinase
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Ultraviolet resonance Raman study of oxytyrosinase. Comparison with oxyhemocyanins
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Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
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μ-η2:η2-Peroxodicopper(II) Complex with a Secondary Diamine Ligand: A Functional Model of Tyrosinase
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Significant Enhancement of Monooxygenase Activity of Oxygen Carrier Protein Hemocyanin by Urea
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Spectroscopic Calibration of Modern Density Functional Methods Using [CuCl4]2-
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inferredcites →https://doi.org/10.1074/jbc.m509785200openalex-snapshot
Crystallographic Evidence That the Dinuclear Copper Center of Tyrosinase Is Flexible during Catalysis
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1126/science.1112081openalex-snapshot
Tyrosinase Reactivity in a Model Complex: An Alternative Hydroxylation Mechanism
inferredcites →https://doi.org/10.1126/science.271.5254.1397openalex-snapshot
Reversible Cleavage and Formation of the Dioxygen O-O Bond Within a Dicopper Complex
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Mechanism of Cu-Catalyzed Aerobic C(CO)–CH3 Bond Cleavage: A Combined Computational and Experimental Study
inferred← citeshttps://doi.org/10.1021/ct1006949openalex-snapshot
Interplay of Correlation and Relativistic Effects in Correlated Calculations on Transition-Metal Complexes: The (Cu2O2)2+ Core Revisited
inferred← citeshttps://doi.org/10.1021/ic101249kopenalex-snapshot
Dinuclear Copper Complexes Based on Parallel β-Diiminato Binding Sites and their Reactions with O 2 : Evidence for a Cu−O−Cu Entity
inferred← citeshttps://doi.org/10.1021/ic200958gopenalex-snapshot
Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes
inferred← citeshttps://doi.org/10.1021/ic300327xopenalex-snapshot
Electronic Structures of Ruthenium and Osmium Complexes of 9,10-Phenanthrenequinone
inferred← citeshttps://doi.org/10.1021/ic301391sopenalex-snapshot
Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity
inferred← citeshttps://doi.org/10.1021/ic403126popenalex-snapshot
Dioxygen Reactivity of Biomimetic Fe(II) Complexes with Noninnocent Catecholate, o -Aminophenolate, and o -Phenylenediamine Ligands
inferred← citeshttps://doi.org/10.1021/ic900975yopenalex-snapshot
Molecular Oxygen and Sulfur Reactivity of a Cyclotriveratrylene Derived Trinuclear Copper(I) Complex
inferred← citeshttps://doi.org/10.1021/ja300674mopenalex-snapshot
Geometric and Electronic Structure of [{Cu(MeAN)} 2 (μ-η 2 :η 2 (O 2 2– ))] 2+ with an Unusually Long O–O Bond: O–O Bond Weakening vs Activation for Reductive Cleavage
inferred← citeshttps://doi.org/10.1021/ja4078717openalex-snapshot
L-Edge X-ray Absorption Spectroscopy and DFT Calculations on Cu2O2 Species: Direct Electrophilic Aromatic Attack by Side-on Peroxo Bridged Dicopper(II) Complexes
inferred← citeshttps://doi.org/10.1021/ja501789xopenalex-snapshot
Controlling the Catalytic Aerobic Oxidation of Phenols
inferred← citeshttps://doi.org/10.1021/ja910500aopenalex-snapshot
Redox-Active Ligands Facilitate Bimetallic O2Homolysis at Five-Coordinate Oxorhenium(V) Centers
inferred← citeshttps://doi.org/10.1021/jacs.4c02015openalex-snapshot
Tailored Cis–Trans Isomeric Metal–Covalent Organic Frameworks for Coordination Configuration-Dependent Electrochemiluminescence
inferred← citeshttps://doi.org/10.1021/jacs.4c04402openalex-snapshot
Intramolecular Phenolic H-Atom Abstraction by a N3ArOH Ligand-Supported (μ-η2:η2-Peroxo)dicopper(II) Species Relevant to the Active Site Function of oxy-Tyrosinase
inferred← citeshttps://doi.org/10.1021/jacs.5b10382openalex-snapshot
A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K
inferred← citeshttps://doi.org/10.1021/jacs.6b02485openalex-snapshot
Solid-State Redox Switching of Magnetic Exchange and Electronic Conductivity in a Benzoquinoid-Bridged Mn II Chain Compound
inferred← citeshttps://doi.org/10.1021/jacs.6b06987openalex-snapshot
Pathways for Arene Oxidation in Non-Heme Diiron Enzymes: Lessons from Computational Studies on Benzoyl Coenzyme A Epoxidase
inferred← citeshttps://doi.org/10.1021/jacs.6b12990openalex-snapshot
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
inferred← citeshttps://doi.org/10.1021/jacs.7b00705openalex-snapshot
2D Conductive Iron-Quinoid Magnets Ordering up to Tc = 105 K via Heterogenous Redox Chemistry
inferred← citeshttps://doi.org/10.1021/jp209753qopenalex-snapshot
Spectroscopy and Kinetics of Tyrosinase Catalyzed trans-Resveratrol Oxidation
inferred← citeshttps://doi.org/10.1039/c005500jopenalex-snapshot
Copper dioxygen (bio)inorganic chemistry
inferred← citeshttps://doi.org/10.1039/c0cs00202jopenalex-snapshot
Copper–O2 reactivity of tyrosinase models towards external monophenolic substrates: molecular mechanism and comparison with the enzyme
inferred← citeshttps://doi.org/10.1039/c3cc42980fopenalex-snapshot
Preparation of a semiquinonate-bridged diiron(ii) complex and elucidation of its geometric and electronic structures
inferred← citeshttps://doi.org/10.1039/c3cc46893copenalex-snapshot
Hiking on the potential energy surface of a functional tyrosinase model – implications of singlet, broken-symmetry and triplet description
inferred← citeshttps://doi.org/10.1039/c3dt00038aopenalex-snapshot
9,10-Phenanthrenesemiquinone radical complexes of ruthenium(iii), osmium(iii) and rhodium(iii) and redox series
inferred← citeshttps://doi.org/10.1039/c5cc02806jopenalex-snapshot
Controlled nitrene transfer from a tyrosinase-like arylnitroso–copper complex
inferred← citeshttps://doi.org/10.1039/c5cp05009jopenalex-snapshot
Donor-driven conformational flexibility in a real-life catalytic dicopper( ii ) peroxo complex
inferred← citeshttps://doi.org/10.1039/c5dt00822kopenalex-snapshot
Catalytic aerobic oxidation of phenols to ortho-quinones with air-stable copper precatalysts
inferred← citeshttps://doi.org/10.1039/c5dt02638eopenalex-snapshot
A radical rebound mechanism for the methane oxidation reaction promoted by the dicopper center of a pMMO enzyme: a computational perspective
inferred← citeshttps://doi.org/10.1039/c5sc02395eopenalex-snapshot
A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols
inferred← citeshttps://doi.org/10.1039/c9dt02814eopenalex-snapshot
Theoretical study of aromatic hydroxylation of the [Cu 2 (H-XYL)O 2 ] 2+ complex mediated by a side-on peroxo dicopper core and Cu-ligand effects
inferred← citeshttps://doi.org/10.1039/d0cy00025fopenalex-snapshot
Binuclear O 2 activation and hydrogen transfer mechanism for aerobic oxidation of alcohols
inferred← citeshttps://doi.org/10.1039/d0cy01838dopenalex-snapshot
Kinetic and spectroscopic insights into the behaviour of Cu active site for NH 3 -SCR over zeolites with several topologies
inferred← citeshttps://doi.org/10.1039/d1fd00071copenalex-snapshot
Phenolate-bonded bis(μ-oxido)-bis-copper( iii ) intermediates: hydroxylation and dehalogenation reactivities
inferred← citeshttps://doi.org/10.1039/d2fd00162dopenalex-snapshot
The bridge towards a more stable and active side-on-peroxido (Cu 2 II (µ-η 2 :η 2 -O 2 )) complex as a tyrosinase model system
inferred← citeshttps://doi.org/10.1039/d5cy00956aopenalex-snapshot
sp 3 C–H alkylation of fluorenes catalyzed by o -phenylene-bridged noninnocent bis-azopyridyl complexes of copper
inferred← citeshttps://doi.org/10.1039/d5dt00077gopenalex-snapshot
Functional biomimetics for copper oxidases: interesting catalytic promiscuity of novel monocopper( ii ) complexes
inferred← citeshttps://doi.org/10.1055/sos-sd-225-00304openalex-snapshot
9 Catalytic Aerobic Oxidation of Phenols
inferred← citeshttps://doi.org/10.1073/pnas.2205619119openalex-snapshot
Elucidation of the tyrosinase/O 2 /monophenol ternary intermediate that dictates the monooxygenation mechanism in melanin biosynthesis
inferred← citeshttps://doi.org/10.1080/00958972.2010.503273openalex-snapshot
Monooxygenation of external phenolic substrates in small-molecule dicopper complexes: implications on the reaction mechanism of tyrosinase
inferred← citeshttps://doi.org/10.1103/8vq8-nj6copenalex-snapshot
Photoinduced electronic ferroelectric phase in a metal-organic framework
inferred← citeshttps://doi.org/10.1103/x43y-61c1openalex-snapshot
Ultrafast Formation of a Photoinduced Hidden State Driven by a Bond-Order Wave in a Metal-Organic Framework
inferred← citeshttps://doi.org/10.1371/journal.pbio.3000077openalex-snapshot
Catalytic mechanism of the tyrosinase reaction toward the Tyr98 residue in the caddie protein
inferred← citeshttps://doi.org/10.3390/catal13040773openalex-snapshot
Non-Noble Metal Aromatic Oxidation Catalysis: From Metalloenzymes to Synthetic Complexes
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