Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non‐Heme Iron (III) Complexes

Robin Jastrzebski; Matthew G Quesne; Bert M. Weckhuysen; Samuel De Visser; Pieter C.A. Bruijnincx

doi:10.1002/chem.201404988

Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non‐Heme Iron (III) Complexes

Robin Jastrzebski, Matthew G Quesne, Bert M. Weckhuysen, Samuel De Visser, Pieter C.A. Bruijnincx

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Abstract

Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and non-heme iron (III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational modelling of multiple iron (III) catecholato complexes, we have elucidated the catechol cleavage mechanism and show that oxygen binds the iron center by partial dissociation of the substrate from the iron

Original language	English
Pages (from-to)	15686–15691
Number of pages	5
Journal	Chemistry: A European Journal
Volume	20
Issue number	48
DOIs	https://doi.org/10.1002/chem.201404988
Publication status	Published - 24 Nov 2014

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abstract = "Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and non-heme iron (III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational modelling of multiple iron (III) catecholato complexes, we have elucidated the catechol cleavage mechanism and show that oxygen binds the iron center by partial dissociation of the substrate from the iron",

author = "Robin Jastrzebski and Quesne, {Matthew G} and Weckhuysen, {Bert M.} and {De Visser}, Samuel and Bruijnincx, {Pieter C.A.}",

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AU - Jastrzebski, Robin

AU - Quesne, Matthew G

AU - Weckhuysen, Bert M.

AU - De Visser, Samuel

AU - Bruijnincx, Pieter C.A.

N1 - BBSRC

PY - 2014/11/24

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N2 - Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and non-heme iron (III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational modelling of multiple iron (III) catecholato complexes, we have elucidated the catechol cleavage mechanism and show that oxygen binds the iron center by partial dissociation of the substrate from the iron

AB - Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and non-heme iron (III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational modelling of multiple iron (III) catecholato complexes, we have elucidated the catechol cleavage mechanism and show that oxygen binds the iron center by partial dissociation of the substrate from the iron

U2 - 10.1002/chem.201404988

DO - 10.1002/chem.201404988

M3 - Article

SN - 0947-6539

VL - 20

SP - 15686

EP - 15691

JO - Chemistry: A European Journal

JF - Chemistry: A European Journal

IS - 48

ER -

Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non‐Heme Iron (III) Complexes

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