{"id":30875,"date":"2018-03-09T09:24:41","date_gmt":"2018-03-09T09:24:41","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/structure-and-reactivity-of-cobalamins-a-theoretical-study\/"},"modified":"2018-03-09T09:24:41","modified_gmt":"2018-03-09T09:24:41","slug":"structure-and-reactivity-of-cobalamins-a-theoretical-study","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/structure-and-reactivity-of-cobalamins-a-theoretical-study\/","title":{"rendered":"Structure and reactivity of cobalamins, a theoretical study"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Nicole Doelker Andrea <\/strong><\/h2>\n<p>Las cobalaminas act\u00faan como cofactores en diferentes procesos enzim\u00e1ticos. hay dos cobalaminas diferentes con actividad biol\u00f3gica: metilcobalamina y adenosylcobalamina. Ambos cofactores contienen un enlace covalente cobalto-carbono, el cual las convierte en dos de los pocos compuestos organomet\u00e1licos conocidos con actividad biol\u00f3gica. En todas las enzimas que dependen de cobalaminas como cofactores el primer paso de la reacci\u00f3n es siempre la rotura de este enlace. El modo de la rotura sin embargo es diferente; en la metilcobalamina el enlace se rompe de forma heterol\u00edtica y se forma un ani\u00f3n metilo mientras que en la adenosilcobalamina la rotura es homol\u00edtica y se forma un radical adenosilo. En la presente tesis se han estudiado varios factores que pueden influir en la rotura tanto como homol\u00edtica como heterol\u00edtica del enlace co-c de las cobalaminas mediante m\u00e9todos de la qu\u00edmica computacional.  en la primera parte de la tesis se ha analizado la influencia de la base nitrogenada axial, que ocupa el sitio de coordinaci\u00f3n en posici\u00f3n trans respecto al enlace co-c, sobre la rotura del enlace co-c. Se ha encontrado que la energ\u00eda de disociaci\u00f3n correspondiente a la rotura homol\u00edtica no depende de la base axial mientras que la energ\u00eda de reacci\u00f3n de la rotura heterol\u00edtica muestra una dependencia clara con respecto a la distancia entre el cobalto y el nitr\u00f3geno de la base axial. Se ha concluido que la coordinaci\u00f3n de la base axial en las cobalaminas no tiene importancia para el mecanismo de reacci\u00f3n de la rotura homol\u00edtica del enlace co-c en el sitio activo, pero que puede ser decisiva para diferenciar entre hom\u00f3lisis y heter\u00f3lisis en diferentes enzimas.  en la segunda parte se ha estudiado la rotura homol\u00edtica del enlace co-c en la adenosilcobalamina. Se han analizado varios mecanismos mediante los cuales las enzimas pueden facilitar la formaci\u00f3n de un radical adenosilo. se ha encontrado que hay una interacci\u00f3n el<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Structure and reactivity of cobalamins, a theoretical study<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Structure and reactivity of cobalamins, a theoretical study <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Nicole Doelker Andrea <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 18\/06\/2004<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Feliu Maseras Cuni<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: miquel Duran portas <\/li>\n<li>leonardo Pardo carrasco (vocal)<\/li>\n<li>margareta Blomberg (vocal)<\/li>\n<li>vicent Moliner ib\u00e1\u00f1ez (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Nicole Doelker Andrea Las cobalaminas act\u00faan como cofactores en diferentes procesos enzim\u00e1ticos. hay dos cobalaminas diferentes con [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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