Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis

The unique structure of furanocembranoid natural product bielschowskysin has provoked a number of biosynthetic hypotheses: quantum chemical calculations provide a means to assess the feasibility of postulated mechanisms in the construction of this unusual carbon skeleton. Calculations reveal that th...

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Main Authors: Tang, Bencan, Simion, Robert, Paton, Robert S.
Format: Article
Published: Thieme 2015
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Online Access:https://eprints.nottingham.ac.uk/47353/
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author Tang, Bencan
Simion, Robert
Paton, Robert S.
author_facet Tang, Bencan
Simion, Robert
Paton, Robert S.
author_sort Tang, Bencan
building Nottingham Research Data Repository
collection Online Access
description The unique structure of furanocembranoid natural product bielschowskysin has provoked a number of biosynthetic hypotheses: quantum chemical calculations provide a means to assess the feasibility of postulated mechanisms in the construction of this unusual carbon skeleton. Calculations reveal that thermal closure is possible in water via an unusual concerted cyclobutane-forming transition state without the intervention of an enzyme. Photocycloaddition is computed to be extremely efficient, provided enol ether triplet sensitization can be achieved by an appropriate light source. The possible existence of a stable dicarbonyl intermediate presents a challenge for the thermal route, implicating a photochemical pathway in bielschowskysin biosynthesis.
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spelling nottingham-473532020-05-04T17:02:55Z https://eprints.nottingham.ac.uk/47353/ Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis Tang, Bencan Simion, Robert Paton, Robert S. The unique structure of furanocembranoid natural product bielschowskysin has provoked a number of biosynthetic hypotheses: quantum chemical calculations provide a means to assess the feasibility of postulated mechanisms in the construction of this unusual carbon skeleton. Calculations reveal that thermal closure is possible in water via an unusual concerted cyclobutane-forming transition state without the intervention of an enzyme. Photocycloaddition is computed to be extremely efficient, provided enol ether triplet sensitization can be achieved by an appropriate light source. The possible existence of a stable dicarbonyl intermediate presents a challenge for the thermal route, implicating a photochemical pathway in bielschowskysin biosynthesis. Thieme 2015-02-09 Article PeerReviewed Tang, Bencan, Simion, Robert and Paton, Robert S. (2015) Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis. Synlett, 26 (04). pp. 501-507. ISSN 1437-2096 biosynthesis; concerted; cyclization; DFT; transition states https://www.thieme-connect.de/DOI/DOI?10.1055/s-0034-1379893 doi:10.1055/s-0034-1379893 doi:10.1055/s-0034-1379893
spellingShingle biosynthesis; concerted; cyclization; DFT; transition states
Tang, Bencan
Simion, Robert
Paton, Robert S.
Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis
title Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis
title_full Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis
title_fullStr Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis
title_full_unstemmed Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis
title_short Thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis
title_sort thermal and photochemical mechanisms for cyclobutane formation in bielschowskysin biosynthesis
topic biosynthesis; concerted; cyclization; DFT; transition states
url https://eprints.nottingham.ac.uk/47353/
https://eprints.nottingham.ac.uk/47353/
https://eprints.nottingham.ac.uk/47353/