Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/8231
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Barroso, Mónica | - |
dc.contributor.author | Arnaut, Luís G. | - |
dc.contributor.author | Formosinho, Sebastião J. | - |
dc.date.accessioned | 2009-02-09T14:30:38Z | - |
dc.date.available | 2009-02-09T14:30:38Z | - |
dc.date.issued | 2008 | en_US |
dc.identifier.citation | Journal of Physical Organic Chemistry. 21:7-8 (2008) 659-665 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/8231 | - |
dc.description.abstract | The reaction path of the Interacting-State Model (ISM) is used with the Transition-State Theory (TST) and the semiclassical correction for tunnelling (ISM/scTST) to calculate the rates of H-atom abstraction from C(11) of linoleic acid catalysed by soybean lipoxygenase-1 (SLO), as well as of an analogous uncatalysed reaction in solution. The calculated hydrogen-atom transfer rates, their temperature dependency and kinetic isotope effect (KIE) are in good agreement with the experimental data. ISM/scTST calculations reveal the hypersensitivity of the rate to protein dynamics when the hydrogen bonding to a carbon atom is present in the reaction coordinate. | en_US |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.title | A chemical understanding for the enhanced hydrogen tunnelling in hydroperoxidation of linoleic acid catalysed by soybean lipoxygenase-1 | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1002/poc.1346 | en_US |
uc.controloAutoridade | Sim | - |
item.fulltext | Com Texto completo | - |
item.grantfulltext | open | - |
item.languageiso639-1 | en | - |
item.cerifentitytype | Publications | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
crisitem.author.dept | Faculty of Sciences and Technology | - |
crisitem.author.parentdept | University of Coimbra | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0002-3223-4819 | - |
crisitem.author.orcid | 0000-0001-6607-0026 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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