(Q34083234)

24615978

30 July 2017

title

Aerobic damage to [FeFe]-hydrogenases: activation barriers for the chemical attachment of O2. (English)

1 reference

30 July 2017

1

1 reference

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9 June 2020

David De Sancho

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24615978%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

Robert B. Best

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24615978%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

author name string

Jochen Blumberger

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24615978%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

language of work or name

English

0 references

publication date

11 March 2014

1 reference

24615978

Angewandte Chemie International Edition

30 July 2017

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24615978%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

volume

53

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9 June 2020

issue

16

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9 June 2020

page(s)

4081-4084

1 reference

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Range-Separated DFT Functionals are Necessary to Model Thio-Michael Additions.

9 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Site saturation mutagenesis demonstrates a central role for cysteine 298 as proton donor to the catalytic site in CaHydA [FeFe]-hydrogenase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Mechanistic insight into the blocking of CO diffusion in [NiFe]-hydrogenase mutants through multiscale simulation.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

The hows and whys of aerobic H2 metabolism

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Importance of the protein framework for catalytic activity of [FeFe]-hydrogenases.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Regioselectivity of H cluster oxidation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Characterization of a unique [FeS] cluster in the electron transfer chain of the oxygen tolerant [NiFe] hydrogenase from Aquifex aeolicus

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

The quest for a functional substrate access tunnel in FeFe hydrogenase.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Relating diffusion along the substrate tunnel and oxygen sensitivity in hydrogenase.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

A kinetic and thermodynamic understanding of O2 tolerance in [NiFe]-hydrogenases.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Density functional theory for transition metals and transition metal chemistry

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Electrochemical kinetic investigations of the reactions of [FeFe]-hydrogenases with carbon monoxide and oxygen: comparing the importance of gas tunnels and active-site electronic/redox effects

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

How oxygen attacks [FeFe] hydrogenases from photosynthetic organisms

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Dynamic electrochemical investigations of hydrogen oxidation and production by enzymes and implications for future technology

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Enzymes as working or inspirational electrocatalysts for fuel cells and electrolysis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Occurrence, classification, and biological function of hydrogenases: an overview.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Investigating and exploiting the electrocatalytic properties of hydrogenases

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Kinetics and mechanisms of formation and reactivity of non-heme iron oxygen intermediates.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

Density-functional exchange-energy approximation with correct asymptotic behavior

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

X-ray crystal structure of the Fe-only hydrogenase (CpI) from Clostridium pasteurianum to 1.8 angstrom resolution

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4143129

[FeFe]-hydrogenase-catalyzed H2 production in a photoelectrochemical biofuel cell

5 July 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Electrochemical definitions of O2 sensitivity and oxidative inactivation in hydrogenases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Hydrogen-activating enzymes: activity does not correlate with oxygen sensitivity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Uncovering a dynamically formed substrate access tunnel in carbon monoxide dehydrogenase/acetyl-CoA synthase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Introduction of n-electron valence states for multireference perturbation theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Multiscale simulation reveals multiple pathways for H2 and O2 transport in a [NiFe]-hydrogenase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Mössbauer characterization of the iron-sulfur clusters in Desulfovibrio vulgaris hydrogenase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Quantum Mechanics of Many-Electron Systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

21 January 2018

The ORCA program system

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Theoretical Study of Dioxygen Induced Inhibition of [FeFe]-Hydrogenase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Oxygen Coordination to the Active Site of Hmd in Relation to [FeFe] Hydrogenase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

A Unifying Structural and Electronic Concept for Hmd and [FeFe] Hydrogenase Active Sites

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

21 January 2018

Hydrogenases and oxygen

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

RI-MP2: optimized auxiliary basis sets and demonstration of efficiency

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201400534

Influence of the exchange screening parameter on the performance of screened hybrid functionals

21 January 2018

1 reference

12 December 2020

The electronic structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans: a Q-band 57Fe-ENDOR and HYSCORE study

1 reference

12 December 2020

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

1 reference

12 December 2020

Inactivation of Hydrogenase in Cell-free Extracts and Whole Cells of Chlamydomonas reinhardi by Oxygen

1 reference

12 December 2020

A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production

1 reference

12 December 2020

Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation

1 reference

12 December 2020

Membrane-Bound Hydrogenase I from the Hyperthermophilic BacteriumAquifex aeolicus: Enzyme Activation, Redox Intermediates and Oxygen Tolerance

1 reference

12 December 2020

How molecular oxygen binds to bis[trifluoroacetylacetonato(-1)]cobalt(II)--ab initio and density functional theory studies

1 reference

12 December 2020

Identifiers

DOI

10.1002/ANIE.201400534

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24615978%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24615978%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

24615978

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24615978%20AND%20SRC:MED&resulttype=core&format=json