{"id":792,"date":"2022-08-04T09:00:47","date_gmt":"2022-08-04T07:00:47","guid":{"rendered":"https:\/\/webs.uab.cat\/dmrqb\/?p=792"},"modified":"2023-03-05T00:13:38","modified_gmt":"2023-03-04T22:13:38","slug":"new-paper-at-international-journal-of-molecular-science","status":"publish","type":"post","link":"https:\/\/webs.uab.cat\/molbiomed\/2022\/08\/04\/new-paper-at-international-journal-of-molecular-science\/","title":{"rendered":"Nou Article a la International Journal of Molecular Science"},"content":{"rendered":"\n<p class=\"has-accent-color has-text-color has-normal-font-size\">On the Computational Design of Azobenzene-Based Multi-State Photoswitches<\/p>\n\n\n\n<p>In order to theoretically design multi-state photoswitches with specific properties, an exhaustive computational study is first carried out for an azobenzene dimer that has been recently synthesized and experimentally studied. This study allows for a full comprehension of the factors that govern the photoactivated isomerization processes of these molecules so to provide a conceptual\/computational protocol that can be applied to generic multi-state photoswitches. From this knowledge a new dimer with a similar chemical design is designed and also fully characterized. Our theoretical calculations predict that the new dimer proposed is one step further in the quest for a double photoswitch, where the four metastable isomers could be selectively interconverted through the use of different irradiation sequences.<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"610\" src=\"https:\/\/webs.uab.cat\/dmrqb\/wp-content\/uploads\/sites\/355\/2023\/03\/ijms_ago22-1024x610.png\" alt=\"\" class=\"wp-image-462\" srcset=\"https:\/\/webs.uab.cat\/molbiomed\/wp-content\/uploads\/sites\/355\/2023\/03\/ijms_ago22-1024x610.png 1024w, https:\/\/webs.uab.cat\/molbiomed\/wp-content\/uploads\/sites\/355\/2023\/03\/ijms_ago22-300x179.png 300w, https:\/\/webs.uab.cat\/molbiomed\/wp-content\/uploads\/sites\/355\/2023\/03\/ijms_ago22-768x458.png 768w, https:\/\/webs.uab.cat\/molbiomed\/wp-content\/uploads\/sites\/355\/2023\/03\/ijms_ago22-1536x916.png 1536w, https:\/\/webs.uab.cat\/molbiomed\/wp-content\/uploads\/sites\/355\/2023\/03\/ijms_ago22-2048x1221.png 2048w, https:\/\/webs.uab.cat\/molbiomed\/wp-content\/uploads\/sites\/355\/2023\/03\/ijms_ago22-1200x715.png 1200w, https:\/\/webs.uab.cat\/molbiomed\/wp-content\/uploads\/sites\/355\/2023\/03\/ijms_ago22-1980x1180.png 1980w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption>Shape of the molecular orbitals involved in the relevant excited electronic states of the EE isomer of dimer 1. The drawings correspond to an iso-level of 0.02 a.u. of electronic density. The left top corner of the figure depicts the molecular structure of the EE isomer.<\/figcaption><\/figure>\n","protected":false},"excerpt":{"rendered":"<p>On the Computational Design of Azobenzene-Based Multi-State Photoswitches In order to theoretically design multi-state photoswitches with specific properties, an exhaustive computational study is first carried out for an azobenzene dimer that has been recently synthesized and experimentally studied. This study allows for a full comprehension of the factors that govern the photoactivated isomerization processes of [&hellip;]<\/p>\n","protected":false},"author":2580,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[35,56,58,57],"tags":[140,141,142],"class_list":["post-792","post","type-post","status-publish","format-standard","hentry","category-articles","category-azobenze","category-espectres","category-fotointerruptors","tag-dimers-dazobenze","tag-fotointerruptors-moleculars","tag-fotoquimica-teorica"],"_links":{"self":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/posts\/792","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/users\/2580"}],"replies":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/comments?post=792"}],"version-history":[{"count":2,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/posts\/792\/revisions"}],"predecessor-version":[{"id":1024,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/posts\/792\/revisions\/1024"}],"wp:attachment":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/media?parent=792"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/categories?post=792"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/tags?post=792"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}