Theory of coupled electron and proton transfer reactions (Q34423985)

2 August 2017

title

Theory of coupled electron and proton transfer reactions (English)

1 reference

2 August 2017

author

Sharon Hammes-Schiffer

series ordinal

1

object named as

Sharon Hammes-Schiffer

1 reference

2 August 2017

author name string

Alexei A Stuchebrukhov

series ordinal

2

1 reference

2 August 2017

publication date

4 November 2010

1 reference

2 August 2017

1 reference

2 August 2017

volume

110

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2 August 2017

issue

12

1 reference

2 August 2017

page(s)

6939-6960

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Theoretical Studies of Proton-Coupled Electron Transfer: Models and Concepts Relevant to Bioenergetics

2 August 2017

cites work

1 reference

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Analysis of kinetic isotope effects for proton-coupled electron transfer reactions

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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Proton-coupled electron transfer

6 July 2018

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Molecular mechanism of proton translocation by cytochrome c oxidase

6 July 2018

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Role of proton-coupled electron transfer in O-O bond activation.

6 July 2018

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6 July 2018

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6 July 2018

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Extended spin-boson model for nonadiabatic hydrogen tunneling in the condensed phase

6 July 2018

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Chance and design--proton transfer in water, channels and bioenergetic proteins

6 July 2018

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Darwin at the molecular scale: selection and variance in electron tunnelling proteins including cytochrome c oxidase

6 July 2018

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Design principles of proton-pumping haem-copper oxidases

6 July 2018

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The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations

6 July 2018

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Monte Carlo simulations of proton pumps: on the working principles of the biological valve that controls proton pumping in cytochrome c oxidase

6 July 2018

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Proton pumping in the bc1 complex: a new gating mechanism that prevents short circuits

6 July 2018

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Ultrafast interfacial proton-coupled electron transfer

6 July 2018

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Combined DFT and electrostatics study of the proton pumping mechanism in cytochrome c oxidase

6 July 2018

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Et tu, Grotthuss! and other unfinished stories

6 July 2018

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Long-range electron transfer

6 July 2018

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Electron transfer between hemes in mammalian cytochrome c oxidase.

6 July 2018

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Proton-coupled electron transfer: a reaction chemist's view

6 July 2018

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Theory and simulation of proton-coupled electron transfer, hydrogen-atom transfer, and proton translocation in proteins

6 July 2018

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Theoretical studies of proton-coupled electron transfer reactions

6 July 2018

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Coupled proton and electron transfer reactions in cytochrome oxidase

6 July 2018

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The transfer of protons in water wires inside proteins

6 July 2018

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Computer simulations of enzyme catalysis: methods, progress, and insights

6 July 2018

1 reference

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Proton transport via the membrane surface.

6 July 2018

1 reference

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Temperature-dependent isotope effects in soybean lipoxygenase-1: correlating hydrogen tunneling with protein dynamics.

6 July 2018

1 reference

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The formation and dynamics of proton wires in channel environments

6 July 2018

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The role of the D- and K-pathways of proton transfer in the function of the haem-copper oxidases.

6 July 2018

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Structure and function of cytochrome bc complexes.

6 July 2018

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Proton pumping by cytochrome oxidase: progress, problems and postulates

6 July 2018

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Proton and electron transfer in bacterial reaction centers

6 July 2018

1 reference

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Electron tunneling pathways in proteins

6 July 2018

1 reference

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Natural engineering principles of electron tunnelling in biological oxidation-reduction

6 July 2018

1 reference

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Cytochrome c oxidase: catalytic cycle and mechanisms of proton pumping--a discussion

6 July 2018

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Observation of the protonated semiquinone intermediate in isolated reaction centers from Rhodobacter sphaeroides: implications for the mechanism of electron and proton transfer in proteins

6 July 2018

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Oxidative phosphorylation at the fin de siècle

6 July 2018

1 reference

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The mechanism of proton pumping by cytochrome c oxidasex127e [comments]

6 July 2018

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How does cytochrome oxidase pump protons?

6 July 2018

1 reference

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Proton and electron transfer to the secondary quinone (QB) in bacterial reaction centers: the effect of changing the electrostatics in the vicinity of QB by interchanging asp and glu at the L212 and L213 sites

6 July 2018

1 reference

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Large kinetic isotope effects in enzymatic proton transfer and the role of substrate oscillations

6 July 2018

1 reference

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Effect of protein dynamics on biological electron transfer.

6 July 2018

1 reference

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Electron transfer in proteins

6 July 2018

1 reference

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Electron tunneling in proteins: coupling through a beta strand

6 July 2018

1 reference

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Protein electron transfer rates set by the bridging secondary and tertiary structure

6 July 2018

1 reference

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Nature of biological electron transfer

6 July 2018

1 reference

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Molecular mechanisms for proton transport in membranes

6 July 2018

1 reference

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Proton pump coupled to cytochrome c oxidase in mitochondria

6 July 2018

1 reference

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Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution.

6 July 2018

1 reference

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Photoinduced homogeneous proton-coupled electron transfer: model study of isotope effects on reaction dynamics.

27 October 2018

1 reference

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Inserting a hydrogen-bond relay between proton exchanging sites in proton-coupled electron transfers

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Electrochemical proton-coupled electron transfer of an osmium aquo complex: theoretical analysis of asymmetric tafel plots and transfer coefficients

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Electrochemical proton-coupled electron transfer: beyond the golden rule.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Molecular dynamics simulation of water in cytochrome c oxidase reveals two water exit pathways and the mechanism of transport

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces.

27 October 2018

1 reference

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Proton-coupled electron transfer of tyrosine oxidation: buffer dependence and parallel mechanisms

27 October 2018

1 reference

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Buffer-assisted proton-coupled electron transfer in a model rhenium-tyrosine complex.

27 October 2018

1 reference

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Proton-coupled electron transfer in soybean lipoxygenase: dynamical behavior and temperature dependence of kinetic isotope effects.

27 October 2018

1 reference

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Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: implications for proton-coupled electron transfer mechanisms.

27 October 2018

1 reference

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Potential-, pH-, and isotope-dependence of proton-coupled electron transfer of an osmium aquo complex attached to an electrode

27 October 2018

1 reference

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Thermodynamic properties of internal water molecules in the hydrophobic cavity around the catalytic center of cytochrome c oxidase.

27 October 2018

1 reference

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Proton exit channels in bovine cytochrome c oxidase

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Kinetics of proton diffusion in the regimes of fast and slow exchange between the membrane surface and the bulk solution.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Direct tyrosine oxidation using the MLCT excited states of rhenium polypyridyl complexes

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Reaction intermediates of quinol oxidation in a photoactivatable system that mimics electron transfer in the cytochrome bc1 complex

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Electron tunneling through organic molecules in frozen glasses

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Proton pumping mechanism and catalytic cycle of cytochrome c oxidase: Coulomb pump model with kinetic gating

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Proton-coupled electron transfer in soybean lipoxygenase

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Electrostatic study of the proton pumping mechanism in bovine heart cytochrome C oxidase

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Proton-coupled electron transfer in a model for tyrosine oxidation in photosystem II.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Water-gated mechanism of proton translocation by cytochrome c oxidase

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Computer simulation of water in cytochrome c oxidase

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Proton-coupled electron transfer versus hydrogen atom transfer in benzyl/toluene, methoxyl/methanol, and phenoxyl/phenol self-exchange reactions

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Theoretical investigation of large kinetic isotope effects for proton-coupled electron transfer in ruthenium polypyridyl complexes

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Theoretical study of electron, proton, and proton-coupled electron transfer in iron bi-imidazoline complexes

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3005854

Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions

27 October 2018

1 reference

12 December 2020

Proton translocation by bacteriorhodopsin and heme-copper oxidases

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12 December 2020

Development of electron-proton density functionals for multicomponent density functional theory

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12 December 2020

Formation of the "peroxy" intermediate in cytochrome c oxidase is associated with internal proton/hydrogen transfer

1 reference

12 December 2020

Proton-coupled electron transfer

1 reference

12 December 2020

Theoretical perspectives on proton-coupled electron transfer reactions

1 reference

12 December 2020

Polar solvent dynamics and electron-transfer reactions

1 reference

12 December 2020

Intramolecular long-distance electron transfer in organic molecules

1 reference

12 December 2020

Identifiers

DOI

10.1021/CR1001436

1 reference

2 August 2017

1 reference

2 August 2017

1 reference