{"id":5346,"date":"2012-11-05T08:40:23","date_gmt":"2012-11-05T07:40:23","guid":{"rendered":"http:\/\/10.128.3.28\/?p=5346"},"modified":"2025-01-23T10:09:25","modified_gmt":"2025-01-23T09:09:25","slug":"calculos-realizados-en-lusitania-confirman-el-mecanismo-de-la-reaccion-de-dakin-west-de-los-aminoacidos","status":"publish","type":"post","link":"https:\/\/computaex.es\/en\/supercomputacion\/calculos-realizados-en-lusitania-confirman-el-mecanismo-de-la-reaccion-de-dakin-west-de-los-aminoacidos\/","title":{"rendered":"C\u00e1lculos realizados en LUSITANIA confirman el mecanismo de la reacci\u00f3n de Dakin-West de los amino\u00e1cidos"},"content":{"rendered":"<p>La reacci\u00f3n de Dakin-West consiste en la transformaci\u00f3n de un amino\u00e1cido en aminocetona, y es de gran importancia ya que es clave en la preparaci\u00f3n de compuestos tan relevantes como la estricnina. Aunque las sustancias requeridas son muy econ\u00f3micas, existe un gran problema con la selectividad de la reacci\u00f3n, ya que se obtienen mezclas de enanti\u00f3meros dif\u00edciles de separar. Por ello, la interpretaci\u00f3n del mecanismo mediante el que ocurre es de enorme inter\u00e9s.<\/p>\n<p>Un estudio realizado por un equipo internacional de cient\u00edficos formado por investigadores de la\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.ufrj.br\/\">Universidad Federal de Rio de Janeiro<\/a>\u00a0y la\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.unicamp.br\/\">Universidad de Campinas de Brasil<\/a>, la\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.uni-graz.at\/\">Universidad Karl-Franzens de Graz<\/a>\u00a0en Austria, y el\u00a0<a class=\"views-ajax-processed-processed\" href=\"\/en\/proyectos\/quorex\/\">Grupo QUOREX<\/a>\u00a0of the\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.unex.es\/\">Universidad de Extremadura<\/a>\u00a0ha conseguido confirmar el mecanismo de esta importante reacci\u00f3n explicando el origen de las mezclas de productos obtenidos.<\/p>\n<p>Para lograr los objetivos, se han empleado modernas t\u00e9cnicas de espectrometr\u00eda de masas en t\u00e1ndem con ionizaci\u00f3n por electrospray (ESI-MS\/MS), que permiten \u00abatrapar\u00bb y caracterizar intermedios de reacci\u00f3n y c\u00e1lculos de Qu\u00edmica Te\u00f3rica de alto nivel realizados en el\u00a0<a class=\"views-ajax-processed-processed\" href=\"\/en\/cenits\/lusitania\/\">supercomputador LUSITANIA<\/a>.<\/p>\n<p>Los excelentes resultados han sido publicados en la prestigiosa revista internacional\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/\/en\/pubs.rsc.org\/en\/journals\/journalissues\/ob\/\">Organic and Biomolecular Chemistry<\/a>, de la\u00a0<a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.rsc.org\/\">Royal Society of Chemistry<\/a>.<\/p>\n<p>Fuente de la publicaci\u00f3n:<\/p>\n<ul>\n<li><a class=\"views-ajax-processed-processed\" href=\"\/en\/enlaces\/publicaciones\/mechanism-dakin%E2%80%93west-reaction\/\">On the mechanism of the Dakin\u2013West reaction<\/a><\/li>\n<\/ul>\n<p>Noticias relacionadas:<\/p>\n<ul>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/\/en\/gobex.es\/salaprensa\/view\/press\/press\/detalle.php\/?hl=es&amp;id=6754\">Un equipo cient\u00edfico internacional recurre al supercomputador Lusitania para estudiar transformaciones qu\u00edmicas de los amino\u00e1cidos &#8211; GobEx<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.elperiodicoextremadura.com\/noticias\/extremadura\/cientificos-internacionales-recurren-supercomputador-extremeno-para-estudiar-transformaciones-quimicas_690011.html\">Cient\u00edficos internacionales recurren al supercomputador extreme\u00f1o para estudiar transformaciones qu\u00edmicas &#8211; Peri\u00f3dico Extremadura<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.europapress.es\/ciencia\/noticia-recurren-supercomputador-espanol-estudiar-aminoacidos-20121029133059.html\">Recurren a un supercomputador espa\u00f1ol para estudiar amino\u00e1cidos &#8211; EuropaPress<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.elconfidencial.com\/espana\/2012\/10\/30\/recurren-a-un-supercomputador-espanol-para-estudiar-aminoacidos-108207\/\">Recurren a un supercomputador espa\u00f1ol para estudiar amino\u00e1cidos &#8211; El Confidencial<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/\/en\/elmolinillo.pctextremadura.com\/modulos\/mod_periodico\/pub\/mostrar_noticia.php\/?id=3830\">C\u00e1lculos realizados en LUSITANIA confirman el mecanismo de la reacci\u00f3n de Dakin-West de los amino\u00e1cidos &#8211; El Molinillo de la Innovaci\u00f3n<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.lacronicabadajoz.com\/noticias\/extremadura\/cientificos-internacionales-recurren-supercomputador-extremeno-para-estudiar-transformaciones-quimicas_104672.html\">Cient\u00edficos internacionales recurren al supercomputador extreme\u00f1o para estudiar transformaciones qu\u00edmicas &#8211; La Cr\u00f3nica de Badajoz<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.extremadura.com\/general\/un_equipo_cientifico_internacional_recurre_al_supercomputador_lusitania_para_estudiar_transformaciones_quimicas_de_los_aminoacidos\">Un equipo cient\u00edfico internacional recurre al supercomputador Lusitania para estudiar transformaciones qu\u00edmicas de los amino\u00e1cidos &#8211; Extremadura.com<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.extremaduradehoy.com\/modulos\/mod_periodico\/pub\/mostrar_noticia.php?id=171428\">C\u00e1lculos realizados en LUSITANIA confirman el mecanismo de la reacci\u00f3n de Dakin-West de los amino\u00e1cidos &#8211; Extremadura de Hoy<\/a><\/li>\n<li><a class=\"views-ajax-processed-processed\" href=\"http:\/\/www.economiadehoy.com\/modulos\/mod_periodico\/pub\/mostrar_noticia.php?id=36178\">C\u00e1lculos realizados en LUSITANIA confirman el mecanismo de la reacci\u00f3n de Dakin-West de los amino\u00e1cidos &#8211; Econom\u00eda de Hoy<\/a><\/li>\n<\/ul>","protected":false},"excerpt":{"rendered":"<p>La reacci\u00f3n de Dakin-West consiste en la transformaci\u00f3n de un amino\u00e1cido en aminocetona, y es de gran importancia ya que es clave en la preparaci\u00f3n de compuestos tan relevantes como &#8230;<\/p>","protected":false},"author":1,"featured_media":5347,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[84],"tags":[],"class_list":["post-5346","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-supercomputacion"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.1.1 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ 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