{"id":117011,"date":"2018-03-11T10:46:22","date_gmt":"2018-03-11T10:46:22","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/simulacion-numerica-y-estudios-experimentales-sobre-ultracentrifugacion-anala%c2%adtica-de-macromoleculas\/"},"modified":"2018-03-11T10:46:22","modified_gmt":"2018-03-11T10:46:22","slug":"simulacion-numerica-y-estudios-experimentales-sobre-ultracentrifugacion-anala%c2%adtica-de-macromoleculas","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/macromoleculas\/simulacion-numerica-y-estudios-experimentales-sobre-ultracentrifugacion-anala%c2%adtica-de-macromoleculas\/","title":{"rendered":"Simulaci\u00f3n num\u00e9rica y estudios experimentales sobre ultracentrifugaci\u00f3n anal\u00edtica de macromol\u00e9culas"},"content":{"rendered":"

Tesis doctoral de Ana Isabel Diez Pe\u00f1a <\/strong><\/h2>\n

Objetivos: el tema monogr\u00e1fico de esta tesis es la ultracentrifugaci\u00f3n anal\u00edtica (auc), t\u00e9cnica de la que se ha realizado un estudio experimental y te\u00f3rico-computacional. Los objetivos experimentales han sido la puesta a punto de dicha t\u00e9cnica en nuestro grupo de investigaci\u00f3n, la elecci\u00f3n del procedimiento de an\u00e1lisis de datos experimentales m\u00e1s adecuado para cada sistema en concreto, y el estudio mediante auc de una serie de prote\u00ednas suministradas por otros laboratorios. El objetivo computacional ha sido el desarrollo de contribuciones para el tratamiento de datos de auc. As\u00ed, se ha desarrollado una herramienta para la predicci\u00f3n de perfiles de sedimentaci\u00f3n en experimentos de auc y otra herramienta para extraer informaci\u00f3n estructural de las especies a partir de los perfiles de se\u00f1al experimentales. De este modo se pretende poner a disposici\u00f3n de la comunidad cient\u00edfica una alternativa sencilla a otros programas de an\u00e1lisis de experimentos de auc cubriendo limitaciones de los mismos, en particular en el an\u00e1lisis de sistemas polidispersos. metodolog\u00eda: la metodolog\u00eda empleada en esta tesis puede dividirse en metodolog\u00eda experimental y te\u00f3rico-computacional. en relaci\u00f3n a la metodolog\u00eda experimental, se ha utilizado una ultracentr\u00edfuga beckman xl\/i. Para comprobar la correcci\u00f3n de los procedimientos experimentales empleados se utilizaron muestras de macromol\u00e9culas ampliamente caracterizadas en la bibliograf\u00eda. Despu\u00e9s se estudiaron prote\u00ednas aisladas recientemente por otros grupos de investigaci\u00f3n. Para el tratamiento de los datos experimentales se han utilizado los programas sedfit y sedphat. Para algunos de los sistemas considerados, los experimentos de auc se complementaron con t\u00e9cnicas de dispersi\u00f3n de luz din\u00e1mica y\/o cromatograf\u00eda de exclusi\u00f3n por tama\u00f1o. con respecto a los desarrollos computacionales para la predicci\u00f3n y an\u00e1lisis de experimentos de auc, se ha procurado emplear la experiencia y los recursos propios del grupo de investigaci\u00f3n. Los programas desarrollados se implementaron en el lenguaje de programaci\u00f3n fortran 90 y algunas simulaciones se evaluaron con el programa sedfit. conclusiones: – se ha puesto a punto la t\u00e9cnica de auc, estableciendo los protocolos de an\u00e1lisis m\u00e1s adecuados para cada sistema. Con ello se podido establecer el grado de oligomerizaci\u00f3n de distintas prote\u00ednas suministradas por otros grupos de investigaci\u00f3n. – se ha desarrollado un m\u00e9todo computacional para la predicci\u00f3n te\u00f3rica de los perfiles de se\u00f1al tratando la difusi\u00f3n como un proceso regido por las leyes del movimiento browniano. Este m\u00e9todo se ha implementado en el programa simused cuyo adecuado funcionamiento se ha comprobado tanto en el caso de muestras homog\u00e9neas como heterog\u00e9neas, concluyendo que la capacidad predictiva del algoritmo browniano desarrollado es adecuada en una variedad de casos. – en base al algoritmo de din\u00e1mica browniana se ha desarrollado un m\u00e9todo para el an\u00e1lisis de perfiles de se\u00f1al, esto es, para la determinaci\u00f3n de par\u00e1metros moleculares a partir de los datos de un experimento de auc. Este m\u00e9todo se ha implementado en el programa anased. Se ha verificado el buen comportamiento de anased en muestras homog\u00e9neas y heterog\u00e9neas, demostr\u00e1ndose que es posible extraer una amplia gama de informaci\u00f3n estructural de los perfiles de se\u00f1al a partir de experimentos de auc. summary aims: the topic of this thesis is the analytical ultracentrifugation (auc) technique, for which a joint experimental and theoretical-computational study has been carried out. The experimental objectives have included setting up auc in our research group, the establishment of the most adequate procedures for data analysis of each system and the study via auc of a number of proteins supplied by other laboratories. The computational aim has been to contribute to the data treatment of auc experiments. Thus, a new tool has been developed for the prediction of sedimentation profiles in auc experiments as well as another tool for the extraction of structural information from experimental signal profiles. The goal is to provide the scientific community with a simple alternative to other programs for auc experiment analysis and to cover some limitations of those programs, particularly those related to polydisperse systems. methodology: the methodology employed in this thesis can be divided into two categories: experimental and theoretical-computational methodologies. regarding the experimental methodology, an ultracentrifuge beckman xl\/i has been used. Macromolecules well-characterized in the literature were employed to validate our experimental procedures. Subsequently, proteins recently isolated by other research groups were studied. Programs sedfit and sedphat were used for the treatment of experimental data. For some of the systems considered, auc experiments were complemented with dynamic light scattering and\/or size-exclusion chromatography. with regard to the computational developments for prediction and analysis of auc experiments, the experience and resources of our research group have been used. The new programs were written in the programming language fortran 90 and some simulations were assessed with the program sedfit. conclusions: – the auc technique has been set up at the group and adequate methodologies for the analysis of different systems have been established. These have enabled us to determine the oligomerisation degree of several proteins supplied by other research groups. – a computational method has been developed for the theoretical prediction of the signal profiles by treating diffusion as a process that follows the laws of brownian motion. This method has been implemented in the program simused, which has been successfully applied to both homogeneous and heterogeneous samples. Thus, it has been concluded that the predictive ability of the brownian algorithm is adequate in a number of cases. – based on the dynamic brownian algorithm, a new method has been developed for the analysis of signal profiles, that is, for the determination of molecular parameters from auc experimental data. This approach has been implemented in the program anased and it has been validated by studying homogeneous and heterogeneous samples, which demonstrates that it is possible to obtain structural information from the signal profiles obtained from auc experiments.<\/p>\n

 <\/p>\n

Datos acad\u00e9micos de la tesis doctoral \u00abSimulaci\u00f3n num\u00e9rica y estudios experimentales sobre ultracentrifugaci\u00f3n anal\u00edtica de macromol\u00e9culas<\/strong>\u00ab<\/h3>\n
    \n
  • T\u00edtulo de la tesis:<\/strong>\u00a0 Simulaci\u00f3n num\u00e9rica y estudios experimentales sobre ultracentrifugaci\u00f3n anal\u00edtica de macromol\u00e9culas <\/li>\n
  • Autor:<\/strong>\u00a0 Ana Isabel Diez Pe\u00f1a <\/li>\n
  • Universidad:<\/strong>\u00a0 Murcia<\/li>\n
  • Fecha de lectura de la tesis:<\/strong>\u00a0 15\/01\/2015<\/li>\n<\/ul>\n

     <\/p>\n

    Direcci\u00f3n y tribunal<\/h3>\n
      \n
    • Director de la tesis<\/strong>\n
        \n
      • Jose Garcia De La Torre<\/li>\n<\/ul>\n<\/li>\n
      • Tribunal<\/strong>\n
          \n
        • Presidente del tribunal: Juan jose Freire gomez <\/li>\n
        • ram\u00f3n Francisco Pamies porras (vocal)<\/li>\n
        • Jos\u00e9 Javier Lopez cascales (vocal)<\/li>\n
        • \u00e1ngela Molina (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n

           <\/p>\n","protected":false},"excerpt":{"rendered":"

          Tesis doctoral de Ana Isabel Diez Pe\u00f1a Objetivos: el tema monogr\u00e1fico de esta tesis es la ultracentrifugaci\u00f3n anal\u00edtica (auc), t\u00e9cnica […]<\/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":[8036,1387,8235,3178,13227],"tags":[230777,143719,192365,212546,1160,121446],"class_list":["post-117011","post","type-post","status-publish","format-standard","hentry","category-biofisica","category-macromoleculas","category-murcia","category-proteinas","category-simulacion","tag-ana-isabel-diez-pena","tag-angela-molina","tag-jose-garcia-de-la-torre","tag-jose-javier-lopez-cascales","tag-juan-jose-freire-gomez","tag-ramon-francisco-pamies-porras"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/117011","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=117011"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/117011\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=117011"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=117011"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=117011"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}