Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations

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dc.contributor.advisorNaidoo, Kevin Jen_ZA
dc.contributor.authorBoscaino, Annalisaen_ZA
dc.date.accessioned2015-01-15T11:32:12Z
dc.date.available2015-01-15T11:32:12Z
dc.date.issued2010en_ZA
dc.descriptionIncludes abstract.en_ZA
dc.descriptionIncludes bibliographical references.en_ZA
dc.description.abstractThe major part of this thesis focuses on investigating dynamic hydration behaviour of a series of hexacycylic molecules in water, by using computational techniques validated through ultrasound interferometry experiments. The water taking part to the diffusive motion of the solutes has been characterised by performing mainly time-dependent functions (which allows to simulate hydration numbers) and ring puckering analysis, to understand the conformational features and the role of the functional groups on the flexibility of the solutes.en_ZA
dc.identifier.apacitationBoscaino, A. (2010). <i>Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations</i>. (Thesis). University of Cape Town ,Faculty of Science ,Department of Computer Science. Retrieved from http://hdl.handle.net/11427/12231en_ZA
dc.identifier.chicagocitationBoscaino, Annalisa. <i>"Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations."</i> Thesis., University of Cape Town ,Faculty of Science ,Department of Computer Science, 2010. http://hdl.handle.net/11427/12231en_ZA
dc.identifier.citationBoscaino, A. 2010. Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations. University of Cape Town.en_ZA
dc.identifier.ris TY - Thesis / Dissertation AU - Boscaino, Annalisa AB - The major part of this thesis focuses on investigating dynamic hydration behaviour of a series of hexacycylic molecules in water, by using computational techniques validated through ultrasound interferometry experiments. The water taking part to the diffusive motion of the solutes has been characterised by performing mainly time-dependent functions (which allows to simulate hydration numbers) and ring puckering analysis, to understand the conformational features and the role of the functional groups on the flexibility of the solutes. DA - 2010 DB - OpenUCT DP - University of Cape Town LK - https://open.uct.ac.za PB - University of Cape Town PY - 2010 T1 - Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations TI - Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations UR - http://hdl.handle.net/11427/12231 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/12231
dc.identifier.vancouvercitationBoscaino A. Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations. [Thesis]. University of Cape Town ,Faculty of Science ,Department of Computer Science, 2010 [cited yyyy month dd]. Available from: http://hdl.handle.net/11427/12231en_ZA
dc.language.isoengen_ZA
dc.publisher.departmentDepartment of Computer Scienceen_ZA
dc.publisher.facultyFaculty of Scienceen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.subject.otherComputer Scienceen_ZA
dc.titleResolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulationsen_ZA
dc.typeMaster Thesis
dc.type.qualificationlevelMasters
dc.type.qualificationnameMScen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceThesisen_ZA
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