{"id":90272,"date":"2018-03-10T00:15:42","date_gmt":"2018-03-10T00:15:42","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-por-modelizacion-molecular-de-dimeros-de-ciclodextrinas-y-de-sus-complejos-de-inclusion\/"},"modified":"2018-03-10T00:15:42","modified_gmt":"2018-03-10T00:15:42","slug":"estudio-por-modelizacion-molecular-de-dimeros-de-ciclodextrinas-y-de-sus-complejos-de-inclusion","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica\/estudio-por-modelizacion-molecular-de-dimeros-de-ciclodextrinas-y-de-sus-complejos-de-inclusion\/","title":{"rendered":"Estudio por modelizaci\u00f3n molecular de dimeros de ciclodextrinas y de sus complejos de inclusi\u00f3n"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Pascal Bonnet <\/strong><\/h2>\n<p>Las ciclodextinas (cds) son olig\u00f3meros c\u00edclicos de varias unidades de alfa-d-glucopiranosa enlazadas alfa(1-4). Las m\u00e1s frecuentes se denomian alfa, beta y y-cd dependiendo de cuantas unidades de glucosa (6, 7 \u00f3 8 respectivamente) forman la pared del macarociclo toroidal. Esta forma define dos zonas especiales bien definidas; una pared externa hidr\u00f3fila y una cavidad interna hidr\u00f3foba que pude incluir substratos org\u00e1nicos en medio acuoso. Los complejos de inclusi\u00f3n son asociaciones moleculares en las que un componente (el host), incluye a una mol\u00e9culas (el guest). Cuando el host y el guest son de forma complementaria, la estequimotr\u00eda suele ser 1:1. Sin embargo, si el gueste es m\u00e1s grande que le host, la estequiometr\u00eda puede variar y llega a alcanzar la 2:1. Para una mejor comprensi\u00f3n del reconocimiento molecular en general y del quiral en particular, en esta tesis se ha estudiado la preferencia de la orientaci\u00f3n q e adoptandos mol\u00e9culas de cd,las tres cds m\u00e1s usadas, entre las tres orientaciones que tienen la mayor probabilidad de existir: la orientaci\u00f3n head-head, head-tail y tail-tail.  los diferentes d\u00edmeros se estudiaron inicialmente mediante m\u00e9todos de mm para averiguar c\u00f3mo es el espacio conformacional y obtener as\u00ed una primera idea acerca de cual es la orientaci\u00f3n m\u00e1s estable en cada caso. Una vez poseamos los m\u00ednimos energ\u00e9ticos m\u00e1s probables de acuerdo con la mm, pasamos al estudio de los mismos usando la dm en vac\u00edo y en medio similar al biol\u00f3gico, es decir en presencia de mol\u00e9culas de agua. Los resultados revelaron una orientaci\u00f3n head-head preferible por todos los d\u00edmeros sin disolvente, pero una orientaci\u00f3n head-tail para la alfa-cd y tail-tail para la beta- y la y-cd debido a la formaci\u00f3n de los enlaces de hidr\u00f3geno del disolvente con los d\u00edmeros.  una vez realizado este estudio, se pas\u00f3 al estudio te\u00f3rico del complejo supramolecular formado por un d\u00edmero de y-cd con el fullereno (c60)<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio por modelizaci\u00f3n molecular de dimeros de ciclodextrinas y de sus complejos de inclusi\u00f3n<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio por modelizaci\u00f3n molecular de dimeros de ciclodextrinas y de sus complejos de inclusi\u00f3n <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Pascal Bonnet <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 23\/05\/2001<\/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>Carlos Jaime Cardiel<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: michel Arbelot <\/li>\n<li>daniel Genest (vocal)<\/li>\n<li>Fernando Cossio (vocal)<\/li>\n<li>luc Morin-allory (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Pascal Bonnet Las ciclodextinas (cds) son olig\u00f3meros c\u00edclicos de varias unidades de alfa-d-glucopiranosa enlazadas alfa(1-4). Las m\u00e1s [&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 center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[902,1648,17,3209,416],"tags":[18836,187404,118991,187405,187403,187402],"class_list":["post-90272","post","type-post","status-publish","format-standard","hentry","category-estereoquimica-y-analisis-conformacional","category-estructura-de-moleculas-organicas","category-quimica","category-quimica-de-los-hidratos-de-carbono","category-quimica-organica","tag-carlos-jaime-cardiel","tag-daniel-genest","tag-fernando-cossio","tag-luc-morin-allory","tag-michel-arbelot","tag-pascal-bonnet"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/90272","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=90272"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/90272\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=90272"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=90272"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=90272"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}