A theoretical study of the dioxygen activation by glucose oxidase and copper amine oxidase.

No abstract is available for this paper.

• Publication year

  2003

• Venue

  Biochimica et Biophysica Acta

• Publication date

  2003-04-11

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1016/S1570-9639(03)00090-6PMID 12686129
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Density functional theory of biologically relevant metal centers.

  2003cited by this paper
• Theoretical Study of the Mechanism for the Oxidative Half-Reaction of Copper Amine Oxidase (CAO)

  2003cited by this paper
• Activation of triplet dioxygen by glucose oxidase: Spin-orbit coupling in the superoxide ion

  2002influential reference
• A Theoretical Study of the Mechanism for the Reductive Half-Reaction of Pea Seedling Amine Oxidase (PSAO)

  2001cited by this paper
• A Quantum Chemical Approach to the Study of Reaction Mechanisms of Redox-Active Metalloenzymes

  2001cited by this paper
• Evidence Against Reduction of Cu2+ to Cu+ during Dioxygen Activation in a Copper Amine Oxidase from Yeast

  2000cited by this paper
• Life as aerobes: are there simple rules for activation of dioxygen by enzymes?

  2000cited by this paper
• Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods.

  2000cited by this paper
• Advanced initial-guess algorithm for self-consistent-field calculations on organometallic systems

  1999cited by this paper
• Nature of oxygen activation in glucose oxidase from Aspergillus niger: the importance of electrostatic stabilization in superoxide formation.

  1999cited by this paper
• Structure and biogenesis of topaquinone and related cofactors

  1999cited by this paper
• Visualization of dioxygen bound to copper during enzyme catalysis.

  1999cited by this paper
• Probing the mechanism of proton coupled electron transfer to dioxygen: the oxidative half-reaction of bovine serum amine oxidase.

  1998influential reference
• Crystal structures of the copper-containing amine oxidase from Arthrobacter globiformis in the holo and apo forms: implications for the biogenesis of topaquinone.

  1998cited by this paper
• Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

  1998cited by this paper
• Copper amine oxidase from Hansenula polymorpha: the crystal structure determined at 2.4 A resolution reveals the active conformation.

  1998cited by this paper
• Modeling Electron Transfer in Biochemistry: A Quantum Chemical Study of Charge Separation in Rhodobacter sphaeroides and Photosystem II

  1998cited by this paper
• A new definition of cavities for the computation of solvation free energies by the polarizable continuum model

  1997cited by this paper
• Crystal structure of a eukaryotic (pea seedling) copper-containing amine oxidase at 2.2 A resolution.

  1996cited by this paper
• New Model for Calculation of Solvation Free Energies: Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects

  1996cited by this paper
• Density-functional thermochemistry.

  1996cited by this paper
• Crystal structure of a eukaryotic (pea seedling) copper-containing amine oxidase at 2.3 Å resolution

  1996cited by this paper
• Biogenesis of novel quinone coenzymes.

  1995cited by this paper
• Crystal structure of a quinoenzyme: copper amine oxidase of Escherichia coli at 2 A resolution.

  1995cited by this paper
• Generation of the topa quinone cofactor in bacterial monoamine oxidase by cupric ion‐dependent autooxidation of a specific tyrosyl residue

  1994cited by this paper
• Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

  1994cited by this paper
• Quinoenzymes in biology.

  1994cited by this paper
• Evidence of a self-catalytic mechanism of 2,4,5-trihydroxyphenylalanine quinone biogenesis in yeast copper amine oxidase.

  1994cited by this paper
• Quinoproteins

  1994cited by this paper
• Crystal structure of glucose oxidase from Aspergillus niger refined at 2.3 A resolution.

  1993cited by this paper
• A New Mixing of Hartree-Fock and Local Density-Functional Theories

  1993cited by this paper
• Density-functional thermochemistry. III. The role of exact exchange

  1993cited by this paper
• Molecular Spectra and Molecular Structure

  1992cited by this paper
• Glucose oxidase: an ideal enzyme

  1992cited by this paper
• Density-functional exchange-energy approximation with correct asymptotic behavior.

  1988cited by this paper
• Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

  1985cited by this paper
• Oxidases and Related Redox Systems

  1982cited by this paper
• IMPROVED Ab Initio EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS

  1979cited by this paper
• Constants of diatomic molecules

  1979cited by this paper
• Theories of Electromagnetism

  1970cited by this paper
• Respiratory Mechanisms and the Metazoan Fossil Record

  1970cited by this paper
• Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules

  1939cited by this paper

• Correlation of the spin state and catalytic property of M-N4 single-atom catalysts in oxygen reduction reactions.

  2023cites this paper
• "Magnetc Torque in Superoxide Ion is the Main Driving Force of Dioxygen Activation in Aerobic Life"

  2021cites this paper
• DpgC-catalyzed peroxidation of  DPA-CoA: insights into the spin-forbidden transition and charge transfer mechanisms.

  2020cites this paper
• How cofactor-free oxygenases can overcome spin prohibition in substrates oxygenation by dioxygen

  2019cites this paper
• Mechanism of Oxygenase-Pathway Reactions Catalyzed by Rubisco from Large-Scale Kohn-Sham Density Functional Calculations.

  2019cites this paper
• Spin-orbit coupling effects in O(2) activation by cofactor-independent 2,4-dioxygenase

  2019cites this paper
• Spin–catalysis of Unsaturated Substrates Oxidation by Cofactor–free Mono– and Di–oxygenases. How Triplet Oxygen Can Overcome Spin Prohibition

  2019cites this paper
• Engineering glucose oxidase for bioelectrochemical applications.

  2019cites this paper
• Spin-orbit coupling in enzymatic reactions and the role of spin in biochemistry

  2017cites this paper
• Designing an O2-Insensitive Glucose Oxidase for Improved Electrochemical Applications

  2017cites this paper
• Excited-states and spectroscopic properties of superoxide anion: a theoretical study including spin–orbit coupling

  2016cites this paper
• Computational Chemistry for Photosensitizer Design and Investigation of DNA Damage

  2015cites this paper
• Catalytic mechanism of cofactor-free dioxygenases and how they circumvent spin-forbidden oxygenation of their substrates.

  2015cites this paper
• Mapping Circular Current for a Single Brain Cancer Cell ’ s Spatial-Temporal Orientations Based on a Memristor / Memcapacitor

  2014cites this paper
• Proton-coupled electron transfer and adduct configuration are important for C4a-hydroperoxyflavin formation and stabilization in a flavoenzyme.

  2014cites this paper
• Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules.

  2014cites this paper
• Dioxygen spectra and bioactivation

  2013cites this paper
• Experimental and computational evidence of metal-O2 activation and rate-limiting proton-coupled electron transfer in a copper amine oxidase.

  2013cites this paper
• Electron transfer in proteins: theory, applications and future perspectives.

  2013cites this paper
• Spin-orbit coupling in dioxygen activation and the role of spin in chemistry

  2012cites this paper
• Amine Oxidase and Galactose Oxidase

  2011cites this paper
• Comparing the peroxo/superoxo nature of the interaction between molecular O2 and β-diketiminato-copper and nickel complexes.

  2011cites this paper
• Colloidal laponite nanoparticles: extended application in direct electrochemistry of glucose oxidase and reagentless glucose biosensing.

  2010cites this paper
• Exploring the Roles of the Metal Ions in Escherichia coli Copper Amine Oxidase,

  2010cites this paper
• Inner-sphere mechanism for molecular oxygen reduction catalyzed by copper amine oxidases.

  2008cites this paper
• Partial conversion of Hansenula polymorpha amine oxidase into a "plant" amine oxidase: implications for copper chemistry and mechanism.

  2007cites this paper
• Catalytic bleaching of cotton: molecular and macroscopic aspects

  2007influential citation
• Mononuclear Cu-O2 complexes: geometries, spectroscopic properties, electronic structures, and reactivity.

  2007cites this paper
• Adsorption-penetration studies of glucose oxidase into phospholipid monolayers at the 1,2-dichloroethane/water interface.

  2007cites this paper
• Diastereospecific and diastereoselective syntheses of Ruthenium(II) complexes using N,N' bidentate ligands aryl-pyridin-2-ylmethyl-amine ArNH-CH2-2-C5H4N and their oxidation to imine ligands.

  2006cites this paper
• A comparative study of the binding and inhibition of four copper-containing amine oxidases by azide: implications for the role of copper during the oxidative half-reaction.

  2006cites this paper
• Intramolecular electron transfer rate between active-site copper and TPQ in Arthrobacter globiformis amine oxidase

  2006cites this paper
• Effect of renal medullary H2O2 on salt-induced hypertension and renal injury.

  2005cites this paper
• Oxygen-18 Isotope Effects as a Probe of Enzymatic Activation of Molecular Oxygen

  2005cites this paper
• Glucose oxidase from Aspergillus niger: the mechanism of action with molecular oxygen, quinones, and one-electron acceptors.

  2005cites this paper
• Electronic structure models of flavoproteides and mechanism of oxidases action

  2004cites this paper
• Dioxygenases without requirement for cofactors and their chemical model reaction: compulsory order ternary complex mechanism of 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase involving general base catalysis by histidine 251 and single-electron oxidation of the substrate dianion.

  2004cites this paper
• Using xenon as a probe for dioxygen-binding sites in copper amine oxidases.

  2004cites this paper