{"id":4156,"date":"2020-01-16T12:36:01","date_gmt":"2020-01-16T11:36:01","guid":{"rendered":"http:\/\/10.128.3.28\/?p=4156"},"modified":"2025-01-23T12:52:27","modified_gmt":"2025-01-23T11:52:27","slug":"investigadores-de-la-uex-publican-los-resultados-de-una-importante-investigacion-quimica-usando-recursos-computacionales-de-cenits","status":"publish","type":"post","link":"https:\/\/computaex.es\/en\/publicaciones\/investigadores-de-la-uex-publican-los-resultados-de-una-importante-investigacion-quimica-usando-recursos-computacionales-de-cenits\/","title":{"rendered":"Investigadores de la UEx publican los resultados de una importante investigaci\u00f3n qu\u00edmica usando recursos computacionales de C\u00e9nitS"},"content":{"rendered":"<p>El Grupo QUOREX, de la\u00a0<a class=\"views-ajax-processed-processed\" href=\"https:\/\/www.unex.es\/\">Universidad de Extremadura<\/a>, ha publicado un art\u00edculo cient\u00edfico titulado \u00ab<em>Mutarotation of aldoses: Getting a deeper knowledge of a classic equilibrium enabled by computational analyses<\/em>\u00bb en la revista internacional\u00a0<a class=\"views-ajax-processed-processed\" href=\"https:\/\/www.sciencedirect.com\/journal\/carbohydrate-research\"><em>Carbohydrate Research<\/em><\/a>, de la editorial\u00a0<a class=\"views-ajax-processed-processed\" href=\"https:\/\/www.elsevier.com\/\">Elsevier<\/a>.<\/p>\n<p>Usando para ello los recursos ofrecidos por\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.cenits.es\/cenits\">C\u00e9nitS<\/a>, este trabajo ha desarrollado un extensivo an\u00e1lisis computacional a nivel DFT del equilibrio mutarrotacional de tres monosac\u00e1ridos modelo: D-glucosa, D-xilosa y D-ribosa. Este estudio ha ampliado los mecanismos conocidos para las isomerizaciones de las aldosas, destacando la importancia de las formas hidratadas de los az\u00facares ac\u00edclicos. Los c\u00e1lculos han permitido tambi\u00e9n identificar nuevos mecanismos de interconversi\u00f3n de anillos poco o nada descritos hasta el momento, como la isomerizaci\u00f3n directa piranosa-furanosa de los az\u00facares estudiados sin intermediaci\u00f3n de formas abiertas.<br \/>\nM\u00e1s informaci\u00f3n:<\/p>\n<ul>\n<li>Juan Garc\u00eda de la Concepci\u00f3n, R. Fernando Mart\u00ednez, Pedro Cintas, Reyes Babiano. Mutarotation of aldoses: Getting a deeper knowledge of a classic equilibrium enabled by computational analyses.<em>\u00a0Carbohydrate Research<\/em>, Volume 490, 2020. doi:\u00a0<a class=\"views-ajax-processed-processed\" href=\"https:\/\/\/en\/doi.org\/10.1016\/j.carres.2020.107964\/\">10.1016\/j.carres.2020.107964<\/a><\/li>\n<\/ul>","protected":false},"excerpt":{"rendered":"<p>El Grupo QUOREX, de la\u00a0Universidad de Extremadura, ha publicado un art\u00edculo cient\u00edfico titulado \u00abMutarotation of aldoses: Getting a deeper knowledge of a classic equilibrium enabled by computational analyses\u00bb en la &#8230;<\/p>","protected":false},"author":1,"featured_media":4157,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[91],"tags":[],"class_list":["post-4156","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-publicaciones"],"yoast_head":"<!-- This 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