Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/58593
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Título: | Ab initio study of hydroxyl torsional barriers and molecular properties of mono-and di-iodotyrosine |
Autor: | Pacios, Luis F.; Gómez, Pedro C. CSIC; Gálvez, Óscar CSIC ORCID | Fecha de publicación: | 2011 | Editor: | American Chemical Society | Citación: | The journal of physical chemistry, A, Molecules, spectroscopy, kinetics, environment & general theory 115: 12616- 12623 (2011) | Resumen: | Phenol rings with one or two iodine atoms bonded to ortho carbons are the essential organic source of iodine for living organisms. The salvage of this halogen fundamental for a variety of biological functions is accomplished through enzymatic processes that rely on recognition of mono-and di-iodotyrosine (MIT and DIT, respectively). Ab initio quantum calculations are used to investigate molecular properties of MIT and DIT associated with their recognition by cognate proteins. Energies, electron density properties, atomic charges, and electrostatic potentials are analyzed in relation with the presence of one or two iodine atoms and internal rotation of hydroxyl hydrogen. The formation of an intramolecular hydrogen bond at some conformations has little effect on the properties that might affect the recognition and further deiodination of MIT and DIT. Polarizability of iodine and the reactive nature of iodinated tyrosines as nucleophilic targets are the essential features revealed in this work. © 2011 American Chemical Society. | URI: | http://hdl.handle.net/10261/58593 | DOI: | 10.1021/jp2031225 | Identificadores: | doi: 10.1021/jp2031225 issn: 1089-5639 |
Aparece en las colecciones: | (CFMAC-IEM) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
accesoRestringido.pdf | 15,38 kB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
SCOPUSTM
Citations
1
checked on 18-abr-2024
WEB OF SCIENCETM
Citations
1
checked on 25-feb-2024
Page view(s)
334
checked on 23-abr-2024
Download(s)
98
checked on 23-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.