(Q34990257)

English

Modeling the cis-oxo-labile binding site motif of non-heme iron oxygenases: water exchange and oxidation reactivity of a non-heme iron(IV)-oxo compound bearing a tripodal tetradentate ligand.

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20 January 2020

Modeling the cis-oxo-labile binding site motif of non-heme iron oxygenases: water exchange and oxidation reactivity of a non-heme iron(IV)-oxo compound bearing a tripodal tetradentate ligand (English)

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20 January 2020

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20 January 2020

Ruben Mas Balleste

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20 January 2020

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20 January 2020

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20 January 2020

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20 January 2020

Lawrence Que Jr.

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Lawrence Que

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20 January 2020

Jonathan R Frisch

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Jonathan R Frisch

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20 January 2020

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Mireia Güell

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20 January 2020

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Eckard Münck

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20 January 2020

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Irene Prat

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20 January 2020

Gergely Juhász

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20 January 2020

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5 January 2011

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20 January 2020

Chemistry—A European Journal

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20 January 2020

17

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20 January 2020

5

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20 January 2020

1622-1634

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20 January 2020

Formation, structure, and EPR detection of a high spin Fe(IV)-oxo species derived from either an Fe(III)-oxo or Fe(III)-OH complex.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

The crystal structure of a high-spin oxoiron(IV) complex and characterization of its self-decay pathway

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Redox potential and C-H bond cleaving properties of a nonheme Fe(IV)=O complex in aqueous solution.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Million-fold activation of the [Fe(2)(micro-O)(2)] diamond core for C-H bond cleavage

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Trends in substrate hydroxylation reactions by heme and nonheme iron(IV)-oxo oxidants give correlations between intrinsic properties of the oxidant with barrier height.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

A diiron(IV) complex that cleaves strong C-H and O-H bonds

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

A synthetic high-spin oxoiron(IV) complex: generation, spectroscopic characterization, and reactivity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Structural Model Studies for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional Calculations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Substrate-triggered formation and remarkable stability of the C-H bond-cleaving chloroferryl intermediate in the aliphatic halogenase, SyrB2

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Reactive intermediates in oxygenation reactions with mononuclear nonheme iron catalysts

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

A two-state reactivity model explains unusual kinetic isotope effect patterns in C-H bond cleavage by nonheme oxoiron(IV) complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

An inverted and more oxidizing isomer of [Fe(IV)(O)(tmc)(NCCH3)]2+

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Proton- and reductant-assisted dioxygen activation by a nonheme iron(II) complex to form an oxoiron(IV) intermediate

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Tunneling in C-H oxidation reactions by an oxoiron(IV) porphyrin radical cation: direct measurements of very large H/D kinetic isotope effects

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Axial ligand tuning of a nonheme iron(IV)-oxo unit for hydrogen atom abstraction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Direct spectroscopic evidence for a high-spin Fe(IV) intermediate in tyrosine hydroxylase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

The road to non-heme oxoferryls and beyond

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

High-valent iron(IV)-oxo complexes of heme and non-heme ligands in oxygenation reactions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Direct spectroscopic detection of a C-H-cleaving high-spin Fe(IV) complex in a prolyl-4-hydroxylase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

New example of a non-heme mononuclear iron(IV) oxo complex. Spectroscopic data and oxidation activity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Reaction mechanisms of mononuclear non-heme iron oxygenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Dioxygen activation at mononuclear nonheme iron active sites: enzymes, models, and intermediates

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

An FeIV=O complex of a tetradentate tripodal nonheme ligand

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Geometric and electronic structure/function correlations in non-heme iron enzymes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Stereospecific alkane hydroxylation by non-heme iron catalysts: mechanistic evidence for an Fe(V)=O active species

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Generalized Gradient Approximation Made Simple

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

Understanding C-H bond oxidations: H. and H- transfer in the oxidation of toluene by permanganate

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3097279

8 July 2018

The first direct characterization of a high-valent iron intermediate in the reaction of an alpha-ketoglutarate-dependent dioxygenase: a high-spin FeIV complex in taurine/alpha-ketoglutarate dioxygenase (TauD) from Escherichia coli

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Crystallographic and Spectroscopic Characterization of a Nonheme Fe(IV)&cjs0811;O Complex

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Density functional study of the electric hyperfine interactions and the redox-structural correlations in the cofactor of nitrogenase. Analysis of general trends in (57)Fe isomer shifts

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

High-valent nonheme iron. Two distinct iron(IV) species derived from a common iron(II) precursor

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Mössbauer and DFT study of the ferromagnetically coupled diiron(IV) precursor to a complex with an Fe(IV)(2)O(2) diamond core

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Oxoiron(IV) complexes of the tris(2-pyridylmethyl)amine ligand family: effect of pyridine alpha-substituents

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Nonheme FeIVO complexes that can oxidize the C-H bonds of cyclohexane at room temperature.

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Catalytic epoxidation and 1,2-dihydroxylation of olefins with bispidine-iron(II)/H2O2 systems.

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Structures of Nonheme Oxoiron(IV) Complexes from X-ray Crystallography, NMR Spectroscopy, and DFT Calculations

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Reactivities of mononuclear non-heme iron intermediates including evidence that iron(III)-hydroperoxo species is a sluggish oxidant.

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Mechanistic insight into alcohol oxidation by high-valent iron-oxo complexes of heme and nonheme ligands

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Targeting peptides with an iron-based oxidant: cleavage of the amino acid backbone and oxidation of side chains.

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Oxidation of glutathione by [Fe(IV)(O)(N4Py)](2+): characterization of an [Fe(III)(SG)(N4Py)](2+) intermediate

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Hydrogen peroxide-coupled cis-diol formation catalyzed by naphthalene 1,2-dioxygenase

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Axial ligand substituted nonheme FeIV=O complexes: observation of near-UV LMCT bands and Fe=O Raman vibrations.

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Direct detection of oxygen intermediates in the non-heme Fe enzyme taurine/alpha-ketoglutarate dioxygenase.

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

EXAFS spectroscopic evidence for an Fe=O unit in the Fe(IV) intermediate observed during oxygen activation by taurine:alpha-ketoglutarate dioxygenase

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Spectroscopic evidence for a high-spin Br-Fe(IV)-oxo intermediate in the alpha-ketoglutarate-dependent halogenase CytC3 from Streptomyces

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Epoxidation and 1,2-dihydroxylation of alkenes by a nonheme iron model system - DFT supports the mechanism proposed by experiment

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Dioxygen activation and catalytic aerobic oxidation by a mononuclear nonheme iron(II) complex

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

C-H bond activation by a ferric methoxide complex: modeling the rate-determining step in the mechanism of lipoxygenase

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Oxidations of NADH analogues by cis-[RuIV(bpy)2(py)(O)]2+ occur by hydrogen-atom transfer rather than by hydride transfer

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Oxidation of C-H bonds by [(bpy)2(py)RuIVO]2+ occurs by hydrogen atom abstraction

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

C-H activation by a mononuclear manganese(III) hydroxide complex: synthesis and characterization of a manganese-lipoxygenase mimic?

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Hydrocarbon oxidation by Bis-mu-oxo manganese dimers: electron transfer, hydride transfer, and hydrogen atom transfer mechanisms

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Direct comparison of the reactivity of model complexes for Compounds 0, I, and II in oxygenation, hydrogen-abstraction, and hydride-transfer processes

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Enzyme Catalysis: Beyond Classical Paradigms†

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Evidence for hydrogen abstraction from C1 of taurine by the high-spin Fe(IV) intermediate detected during oxygen activation by taurine:alpha-ketoglutarate dioxygenase (TauD).

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Sequential electron-transfer and proton-transfer pathways in hydride-transfer reactions from dihydronicotinamide adenine dinucleotide analogues to non-heme oxoiron(IV) complexes and p-chloranil. Detection of radical cations of NADH analogues in acid

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Hydrogen-atom abstraction reactions by manganese(V)- and manganese(IV)-oxo porphyrin complexes in aqueous solution

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Contrasting cis and trans effects on the reactivity of nonheme oxoiron(IV) complexes.

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Structural model studies for the peroxo intermediate P and the reaction pathway from P-->Q of methane monooxygenase using broken-symmetry density functional calculations

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

DFT calculations of 57Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: applications to methane monooxygenase and ribonucleotide reductase

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Mechanism of Taurine: α-Ketoglutarate Dioxygenase (TauD) fromEscherichia coli

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Two interconverting Fe(IV) intermediates in aliphatic chlorination by the halogenase CytC3

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Large Kinetic Isotope Effects in Methane Oxidation Catalyzed by Methane Monooxygenase: Evidence for C−H Bond Cleavage in a Reaction Cycle Intermediate†

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Alkane Hydroxylation by a Nonheme Iron Catalyst that Challenges the Heme Paradigm for Oxygenase Action

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

A Novel Platform for Modeling Oxidative Catalysis in Non‐Heme Iron Oxygenases with Unprecedented Efficiency

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201002297

21 January 2018

Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Combined experimental and theoretical study on aromatic hydroxylation by mononuclear nonheme iron(IV)-oxo complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Formation of an aqueous oxoiron(IV) complex at pH 2-6 from a nonheme iron(II) complex and H2O2

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Formation, stability, and reactivity of a mononuclear nonheme oxoiron(IV) complex in aqueous solution

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Aqueous FeIV==O: spectroscopic identification and oxo-group exchange

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Hydrogen atom abstraction by a high-valent manganese(V)-oxo corrolazine

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Direct evidence for oxygen-atom exchange between nonheme oxoiron(IV) complexes and isotopically labeled water

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Biomimetic high-valent non-heme iron oxidants for the cis-dihydroxylation and epoxidation of olefins

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Electron-transfer properties of an efficient nonheme iron oxidation catalyst with a tetradentate bispidine ligand

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Hydrogen atom abstraction and hydride transfer reactions by iron(IV)-oxo porphyrins

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural insights into nonheme alkylperoxoiron(III) and oxoiron(IV) intermediates by X-ray absorption spectroscopy

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

C-H bond activations by metal oxo compounds

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A thiolate-ligated nonheme oxoiron(IV) complex relevant to cytochrome P450

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Oxygen-atom transfer between mononuclear nonheme iron(IV)-oxo and iron(II) complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Theoretical investigation of C--H hydroxylation by (N4Py)Fe(IV)=O(2+): an oxidant more powerful than P450?

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Understanding the selectivity of a moderate oxidation catalyst: hydrogen abstraction by a fully characterized, activated catalyst, the robust dihydroxo manganese(IV) complex of a bridged cyclam

1 reference

https://pubmed.ncbi.nlm.nih.gov/21268165

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1002/CHEM.201002297

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21268165%20AND%20SRC:MED&resulttype=core&format=json

20 January 2020

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21268165%20AND%20SRC:MED&resulttype=core&format=json

20 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21268165%20AND%20SRC:MED&resulttype=core&format=json

20 January 2020

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