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Author | dc.contributor.author | Rivas, Pilar | |
Author | dc.contributor.author | Zapata Torres, Gerald | |
Author | dc.contributor.author | Melin, Junia | |
Author | dc.contributor.author | Contreras Ramos, Renato | |
Admission date | dc.date.accessioned | 2018-12-20T14:10:52Z | |
Available date | dc.date.available | 2018-12-20T14:10:52Z | |
Publication date | dc.date.issued | 2004 | |
Cita de ítem | dc.identifier.citation | Tetrahedron, Volumen 60, Issue 19, 2018, Pages 4189-4196 | |
Identifier | dc.identifier.issn | 00404020 | |
Identifier | dc.identifier.other | 10.1016/j.tet.2004.03.044 | |
Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/154464 | |
Abstract | dc.description.abstract | The hydride transfer process between the isoalloxazine moiety of flavins and the nicotinamide moiety of NAD(P)H has been explored by using density functional theory based reactivity index in the 1-methylnicotinamide-lumiflavine model system. Based on crystallographic data available, we have found that the group softness index helps to locate and orientate reactive regions in these interacting molecules while the electrophilicity index successfully describes the reactivity pattern of this system. © 2004 Elsevier Ltd. All rights reserved. | |
Lenguage | dc.language.iso | en | |
Type of license | dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Chile | |
Link to License | dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | |
Source | dc.source | Tetrahedron | |
Keywords | dc.subject | Chemical softness | |
Keywords | dc.subject | Density functional theory | |
Keywords | dc.subject | Electrophilicity | |
Keywords | dc.subject | Flavins | |
Keywords | dc.subject | Hydride transfer | |
Keywords | dc.subject | LF, oxidised lumiflavine | |
Keywords | dc.subject | LFH1+, oxidised lumiflavine protonated at N-1 | |
Keywords | dc.subject | N+, oxidised 1-methylnicotinamide | |
Keywords | dc.subject | NH, reduced 1-methylnicotinamide | |
Título | dc.title | Probing the hydride transfer process in the lumiflavine-1- methylnicotinamide model system using group softness | |
Document type | dc.type | Artículo de revista | |
Cataloguer | uchile.catalogador | SCOPUS | |
Indexation | uchile.index | Artículo de publicación SCOPUS | |
uchile.cosecha | uchile.cosecha | SI | |
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