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Zinc substitution of cobalt in vitamin B12: zincobyric acid and zincobalamin as luminescent structural B12‐mimics

Zinc substitution of cobalt in vitamin B12: zincobyric acid and zincobalamin as luminescent structural B12‐mimics
Zinc substitution of cobalt in vitamin B12: zincobyric acid and zincobalamin as luminescent structural B12‐mimics
Replacing the central cobalt ion of vitamin B12 by other metals has been a long-held aspiration within the B12-field. Herein, we describe the synthesis from hydrogenobyric acid of zincobyric acid (Znby) and zincobalamin (Znbl), the Zn-analogues of the natural cobalt-corrins cobyric acid and vitamin B12, respectively. The solution structures of Znby and Znbl were studied by NMR-spectroscopy. Single crystals of Znby were produced, providing the first X-ray crystallographic structure of a zinc corrin. The structures of Znby and of computationally generated Znbl were found to resemble the corresponding CoII-corrins, making such Zn-corrins potentially useful for investigations of B12-dependent processes. The singlet excited state of Znby had a short life-time, limited by rapid intersystem crossing to the triplet state. Znby allowed the unprecedented observation of a corrin triplet (ET=190 kJ mol−1) and was found to be an excellent photo-sensitizer for 1O2 (ΦΔ=0.70).
1433-7851
14568-14572
Kieninger, Christoph
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Baker, Joseph A.
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Podewitz, Maren
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Wurst, Klaus
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Jockusch, Steffen
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Lawrence, Andrew D.
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Deery, Evelyne
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Gruber, Karl
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Liedl, Klaus R.
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Warren, Martin J.
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Kräutler, Bernhard
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Kieninger, Christoph
9d3d3f90-edb8-42cb-90cb-ebd119e437a7
Baker, Joseph A.
43b9b92e-a52e-4916-99d7-afc5b1a42198
Podewitz, Maren
c8e4e661-0dd7-42e9-8644-6a7cc8615200
Wurst, Klaus
1e8623f8-6db2-48b5-b5c7-58c191d19ab3
Jockusch, Steffen
96138418-03ff-466c-9d7c-d5ef4ab079b7
Lawrence, Andrew D.
ce503b40-0155-486f-bb1d-26830b61b5f1
Deery, Evelyne
16c10c8d-1383-4ce6-95dd-dfcfa0168875
Gruber, Karl
35d7ceaf-c201-412e-8f9d-b91f5e194e33
Liedl, Klaus R.
e7354dab-b441-4492-9491-5ba3e6883bc3
Warren, Martin J.
3548a2d0-0f4e-4683-ab77-4ad8f69017e0
Kräutler, Bernhard
a9f1114e-990d-4209-bd52-998dbdee8838

Kieninger, Christoph, Baker, Joseph A., Podewitz, Maren, Wurst, Klaus, Jockusch, Steffen, Lawrence, Andrew D., Deery, Evelyne, Gruber, Karl, Liedl, Klaus R., Warren, Martin J. and Kräutler, Bernhard (2019) Zinc substitution of cobalt in vitamin B12: zincobyric acid and zincobalamin as luminescent structural B12‐mimics. Angewandte Chemie International Edition, 58 (41), 14568-14572. (doi:10.1002/anie.201908428).

Record type: Article

Abstract

Replacing the central cobalt ion of vitamin B12 by other metals has been a long-held aspiration within the B12-field. Herein, we describe the synthesis from hydrogenobyric acid of zincobyric acid (Znby) and zincobalamin (Znbl), the Zn-analogues of the natural cobalt-corrins cobyric acid and vitamin B12, respectively. The solution structures of Znby and Znbl were studied by NMR-spectroscopy. Single crystals of Znby were produced, providing the first X-ray crystallographic structure of a zinc corrin. The structures of Znby and of computationally generated Znbl were found to resemble the corresponding CoII-corrins, making such Zn-corrins potentially useful for investigations of B12-dependent processes. The singlet excited state of Znby had a short life-time, limited by rapid intersystem crossing to the triplet state. Znby allowed the unprecedented observation of a corrin triplet (ET=190 kJ mol−1) and was found to be an excellent photo-sensitizer for 1O2 (ΦΔ=0.70).

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e-pub ahead of print date: 17 August 2019
Published date: 4 September 2019

Identifiers

Local EPrints ID: 488469
URI: http://eprints.soton.ac.uk/id/eprint/488469
ISSN: 1433-7851
PURE UUID: aa0368ff-101e-4848-8287-7f73a3f77533
ORCID for Andrew D. Lawrence: ORCID iD orcid.org/0000-0002-5853-5409

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Date deposited: 22 Mar 2024 17:50
Last modified: 26 Mar 2024 03:05

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Contributors

Author: Christoph Kieninger
Author: Joseph A. Baker
Author: Maren Podewitz
Author: Klaus Wurst
Author: Steffen Jockusch
Author: Andrew D. Lawrence ORCID iD
Author: Evelyne Deery
Author: Karl Gruber
Author: Klaus R. Liedl
Author: Martin J. Warren
Author: Bernhard Kräutler

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