{"id":{"repo_id":"cork","oai_identifier":"oai:cora.ucc.ie:10468/13627"},"canonical_url":"https://search.dev.ndltd.org/etd/cork/oai:cora.ucc.ie:10468/13627","repository":{"repo_id":"cork","name":"University College Cork","base_url":"https://cora.ucc.ie/server/oai/request"},"display":{"title":"Computational analysis and partialsynthesis of resolvin analogues","abstract":"An introduction to the role of resolvins in inflammation is outlined in Chapter 1. In addition, a literature survey of the structure-activity relationships of resolvins, protectins and maresins is also included. Chapter 2 briefly outlines the aims and objectives of this project. Chapter 3 focuses on the computational analysis of the outlined virtual library of Resolvin D2 analogues. The key physicochemical properties of each candidate are calculated and unsuitable candidates are eliminated using standard screening protocols. Chapter 4 describes the attempted synthesis of a key intermediate for the preparation of an aromatic resolvin analogue. This attempted synthesis encompasses a monosilylation of a diol, a selective oxidation of an alcohol to an aldehyde, a Wittig olefination and, finally, a comprehensive trial of acetal deprotection methods for a 1,2 dioxane acetal in the presence of a silyl ether. Chapter 5 summarises the overall findings of this project and outlines possible future avenues for exploration. The full computational data set and experimental procedures, including spectroscopic data, are detailed in Chapter 6.","abstract_html":"An introduction to the role of resolvins in inflammation is outlined in Chapter 1. In addition, a literature survey of the structure-activity relationships of resolvins, protectins and maresins is also included. Chapter 2 briefly outlines the aims and objectives of this project. Chapter 3 focuses on the computational analysis of the outlined virtual library of Resolvin D2 analogues. The key physicochemical properties of each candidate are calculated and unsuitable candidates are eliminated using standard screening protocols. Chapter 4 describes the attempted synthesis of a key intermediate for the preparation of an aromatic resolvin analogue. This attempted synthesis encompasses a monosilylation of a diol, a selective oxidation of an alcohol to an aldehyde, a Wittig olefination and, finally, a comprehensive trial of acetal deprotection methods for a 1,2 dioxane acetal in the presence of a silyl ether. Chapter 5 summarises the overall findings of this project and outlines possible future avenues for exploration. The full computational data set and experimental procedures, including spectroscopic data, are detailed in Chapter 6.","abstract_has_math":false,"creators":["Daly, Kevin"],"institution":"University College Cork","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":[],"advisors":["O'Sullivan, Tim"],"committee_chairs":[],"committee_members":[],"year":2022,"date_issued":"2022-06-02","date_published":"2022-06-02","updated_at":"2026-07-24T01:46:44Z","subjects":["Resolvin","Synthetic","Computational","Pharmaceutical","Inflammatory"],"languages":["en"],"rights":["© 2022, Kevin Daly."],"rights_urls":["https://creativecommons.org/licenses/by-nc-nd/4.0/"],"identifier_entries":[]},"links":{"outbound_url":"https://hdl.handle.net/10468/13627","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.advisor","label":"Advisor","values":["O'Sullivan, Tim"]},{"key":"dc:creator","label":"Author","values":["Daly, Kevin"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2022-09-21T14:06:46Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2022-09-21T14:06:46Z"]},{"key":"dc:date.issued","label":"Date","values":["2022-06-02"]},{"key":"dc:publisher","label":"Institution","values":["University College Cork"]},{"key":"dc:type","label":"Dc Type","values":["Masters thesis (Research)"]},{"key":"dc:type.qualificationlevel","label":"Dc Type Qualificationlevel","values":["Masters"]},{"key":"dc:type.qualificationname","label":"Dc Type Qualificationname","values":["MRes - Master of Research"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Resolvin","Synthetic","Computational","Pharmaceutical","Inflammatory"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["© 2022, Kevin Daly."]},{"key":"dc:rights.uri","label":"Rights URI","values":["https://creativecommons.org/licenses/by-nc-nd/4.0/"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["https://hdl.handle.net/10468/13627"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["An introduction to the role of resolvins in inflammation is outlined in Chapter 1. In addition, a literature survey of the structure-activity relationships of resolvins, protectins and maresins is also included. Chapter 2 briefly outlines the aims and objectives of this project. Chapter 3 focuses on the computational analysis of the outlined virtual library of Resolvin D2 analogues. The key physicochemical properties of each candidate are calculated and unsuitable candidates are eliminated using standard screening protocols. Chapter 4 describes the attempted synthesis of a key intermediate for the preparation of an aromatic resolvin analogue. This attempted synthesis encompasses a monosilylation of a diol, a selective oxidation of an alcohol to an aldehyde, a Wittig olefination and, finally, a comprehensive trial of acetal deprotection methods for a 1,2 dioxane acetal in the presence of a silyl ether. Chapter 5 summarises the overall findings of this project and outlines possible future avenues for exploration. The full computational data set and experimental procedures, including spectroscopic data, are detailed in Chapter 6."]},{"key":"dc:format.mimetype","label":"Dc Format Mimetype","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Computational analysis and partialsynthesis of resolvin analogues"]}]}],"canonical_facts":{"dc:contributor.advisor":["O'Sullivan, Tim"],"dc:creator":["Daly, Kevin"],"dc:date.accessioned":["2022-09-21T14:06:46Z"],"dc:date.available":["2022-09-21T14:06:46Z"],"dc:date.issued":["2022-06-02"],"dc:description.abstract":["An introduction to the role of resolvins in inflammation is outlined in Chapter 1. In addition, a literature survey of the structure-activity relationships of resolvins, protectins and maresins is also included. Chapter 2 briefly outlines the aims and objectives of this project. Chapter 3 focuses on the computational analysis of the outlined virtual library of Resolvin D2 analogues. The key physicochemical properties of each candidate are calculated and unsuitable candidates are eliminated using standard screening protocols. Chapter 4 describes the attempted synthesis of a key intermediate for the preparation of an aromatic resolvin analogue. This attempted synthesis encompasses a monosilylation of a diol, a selective oxidation of an alcohol to an aldehyde, a Wittig olefination and, finally, a comprehensive trial of acetal deprotection methods for a 1,2 dioxane acetal in the presence of a silyl ether. Chapter 5 summarises the overall findings of this project and outlines possible future avenues for exploration. 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