Combined NMR and simulation study of carbohydrate linkage dynamics

dc.contributor.advisorNaidoo, Kevinen_ZA
dc.contributor.advisorJackson, Graham Ellisen_ZA
dc.contributor.authorBest, Roberten_ZA
dc.date.accessioned2014-08-15T14:21:04Z
dc.date.available2014-08-15T14:21:04Z
dc.date.issued2000en_ZA
dc.descriptionIncludes bibliographical references.en_ZA
dc.description.abstractBiomaterials have recently gained significance as a result of environmental pressures and their increased viability through crop engineering. Starch harvested from maize crops is one example of a cheap and abundant biopolymer, which could substitute conventional polymers such as polyethylene as a material in manufacturing. Its practical application, however, will depend on understanding its physical behaviour, so that intelligent modifications can be made to enhance its properties. The most effective way of changing a polymer's properties is by modification at the chemical level, since ultimately it is this which determines the macroscopic features, such as viscosity, plasticity and tensile strength. Since the origin of these features is difficult to study experimentally, this thesis will tackle the problem by means of computer simulation of small carbohydrate fragments. In particular, the two principal types of carbohydra te linkage (namely 0: (1--+4) and 0: (1--+6)) will be examined in this thesis, since these are the chief elements of conformational flexibility in these molecules. The 0(1--+4) and 0:(1--+6) linkages are studied both separately in the maltose and isomaltose molecules respectively and together in panose and the resultant water structuring and dynamic behaviour are studied. Although the computational approach provides insights not available experimentally, it is nonetheless important to compare the results obtained with an experimental reference as a check on their validity. N!vlR T1 relaxation measurements, which give indirect information on the atomic scale dynamics, have been measured for each of the model fragments and compared with values calculated directly from simulation.en_ZA
dc.identifier.apacitationBest, R. (2000). <i>Combined NMR and simulation study of carbohydrate linkage dynamics</i>. (Thesis). University of Cape Town ,Faculty of Science ,Department of Chemistry. Retrieved from http://hdl.handle.net/11427/6582en_ZA
dc.identifier.chicagocitationBest, Robert. <i>"Combined NMR and simulation study of carbohydrate linkage dynamics."</i> Thesis., University of Cape Town ,Faculty of Science ,Department of Chemistry, 2000. http://hdl.handle.net/11427/6582en_ZA
dc.identifier.citationBest, R. 2000. Combined NMR and simulation study of carbohydrate linkage dynamics. University of Cape Town.en_ZA
dc.identifier.ris TY - Thesis / Dissertation AU - Best, Robert AB - Biomaterials have recently gained significance as a result of environmental pressures and their increased viability through crop engineering. Starch harvested from maize crops is one example of a cheap and abundant biopolymer, which could substitute conventional polymers such as polyethylene as a material in manufacturing. Its practical application, however, will depend on understanding its physical behaviour, so that intelligent modifications can be made to enhance its properties. The most effective way of changing a polymer's properties is by modification at the chemical level, since ultimately it is this which determines the macroscopic features, such as viscosity, plasticity and tensile strength. Since the origin of these features is difficult to study experimentally, this thesis will tackle the problem by means of computer simulation of small carbohydrate fragments. In particular, the two principal types of carbohydra te linkage (namely 0: (1--+4) and 0: (1--+6)) will be examined in this thesis, since these are the chief elements of conformational flexibility in these molecules. The 0(1--+4) and 0:(1--+6) linkages are studied both separately in the maltose and isomaltose molecules respectively and together in panose and the resultant water structuring and dynamic behaviour are studied. Although the computational approach provides insights not available experimentally, it is nonetheless important to compare the results obtained with an experimental reference as a check on their validity. N!vlR T1 relaxation measurements, which give indirect information on the atomic scale dynamics, have been measured for each of the model fragments and compared with values calculated directly from simulation. DA - 2000 DB - OpenUCT DP - University of Cape Town LK - https://open.uct.ac.za PB - University of Cape Town PY - 2000 T1 - Combined NMR and simulation study of carbohydrate linkage dynamics TI - Combined NMR and simulation study of carbohydrate linkage dynamics UR - http://hdl.handle.net/11427/6582 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/6582
dc.identifier.vancouvercitationBest R. Combined NMR and simulation study of carbohydrate linkage dynamics. [Thesis]. University of Cape Town ,Faculty of Science ,Department of Chemistry, 2000 [cited yyyy month dd]. Available from: http://hdl.handle.net/11427/6582en_ZA
dc.language.isoengen_ZA
dc.publisher.departmentDepartment of Chemistryen_ZA
dc.publisher.facultyFaculty of Scienceen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.titleCombined NMR and simulation study of carbohydrate linkage dynamicsen_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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