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Conceptual similarities between zeolites and artificial enzymes

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Conceptual similarities between zeolites and artificial enzymes

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dc.contributor.author Gallego-Sánchez, Eva María es_ES
dc.contributor.author Paris, Cecilia es_ES
dc.contributor.author Cantin Sanz, Angel es_ES
dc.contributor.author Moliner Marin, Manuel es_ES
dc.contributor.author Corma Canós, Avelino es_ES
dc.date.accessioned 2020-11-17T04:31:59Z
dc.date.available 2020-11-17T04:31:59Z
dc.date.issued 2019-09-14 es_ES
dc.identifier.issn 2041-6520 es_ES
dc.identifier.uri http://hdl.handle.net/10251/155115
dc.description.abstract [EN] By using a Diels-Alder (DA) reaction as a base case, we show that a pure silica zeolite acting as an entropy-trapping scaffold can be synthesized with an organic structure directing agent (OSDA) analogue of the transition state (TS) of the DA reaction. A cavity stabilization of the TS is observed with the corresponding decrease in the activation energy of the reaction. A lower enthalpy of activation and a larger decrease in entropy are obtained with the zeolite synthesized with the analogue of the DA TS when compared with other zeolitic structures. Those differences are maintained, while catalytic activity is increased, when active sites are introduced in the zeolite. The catalytic zeolitic system synthesized with the OSDA analogue of the TS shows conceptual similarities with "de novo design" of an artificial enzyme to perform DA reactions, in where a suitable scaffold of existing proteins is chosen, and computationally designed active sites able to catalyze the cycloaddition reaction are introduced. es_ES
dc.description.sponsorship This work has been supported by the European Union through ERC-AdG-2014-671093 (SynCatMatch), by the Spanish Government-MINECO through "Severo Ochoa" (SEV-2016-0683) and RTI2018-101033, and by La Caixa Foundation through MITSPAIN SEED FUND (LCF/PR/MIT17/11820002). Eva M. Gallego acknowledges "La Caixa -Severo Ochoa" International PhD Fellowships (call 2015). The Electron Microscopy Service of the UPV is acknowledged for their help in sample characterization. es_ES
dc.language Inglés es_ES
dc.publisher The Royal Society of Chemistry es_ES
dc.relation.ispartof Chemical Science es_ES
dc.rights Reconocimiento - No comercial (by-nc) es_ES
dc.subject.classification QUIMICA ORGANICA es_ES
dc.title Conceptual similarities between zeolites and artificial enzymes es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1039/C9SC02477H es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//SEV-2016-0683/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/EC/H2020/671093/EU/MATching zeolite SYNthesis with CATalytic activity/
dc.relation.projectID info:eu-repo/grantAgreement/Fundació Bancària Caixa d'Estalvis i Pensions de Barcelona//LCF%2FPR%2FMIT17%2F11820002/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-101033-B-I00/ES/DISEÑO DE CATALIZADORES MULTIFUNCIONALES PARA LA CONVERSION EFICIENTE DE BIOGAS Y GAS NATURAL A HIDROCARBUROS DE INTERES INDUSTRIAL/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Química - Departament de Química es_ES
dc.description.bibliographicCitation Gallego-Sánchez, EM.; Paris, C.; Cantin Sanz, A.; Moliner Marin, M.; Corma Canós, A. (2019). Conceptual similarities between zeolites and artificial enzymes. Chemical Science. 10(34):8009-8015. https://doi.org/10.1039/C9SC02477H es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1039/C9SC02477H es_ES
dc.description.upvformatpinicio 8009 es_ES
dc.description.upvformatpfin 8015 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 10 es_ES
dc.description.issue 34 es_ES
dc.identifier.pmid 31853356 es_ES
dc.identifier.pmcid PMC6837030 es_ES
dc.relation.pasarela S\392385 es_ES
dc.contributor.funder European Research Council es_ES
dc.contributor.funder Fundació Bancària Caixa d'Estalvis i Pensions de Barcelona es_ES
dc.contributor.funder Agencia Estatal de Investigación es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
dc.contributor.funder European Commission
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