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Combined NMR and simulation study of carbohydrate linkage dynamics
Includes bibliographical references.
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| Main Author: | |
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
Department of Chemistry
2014
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| _version_ | 1867613202041274368 |
|---|---|
| access_status_str | Open Access |
| author | Best, Robert |
| author2 | Naidoo, Kevin |
| author_browse | Best, Robert Naidoo, Kevin |
| author_facet | Naidoo, Kevin Best, Robert |
| author_sort | Best, Robert |
| collection | Thesis |
| description | Includes bibliographical references. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/6582 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:32:21.936Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2014 |
| publishDateRange | 2014 |
| publishDateSort | 2014 |
| publisher | Department of Chemistry |
| publisherStr | Department of Chemistry |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/6582 Combined NMR and simulation study of carbohydrate linkage dynamics Best, Robert Naidoo, Kevin Jackson, Graham Ellis Includes bibliographical references. 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. 2014-08-15T14:21:04Z 2014-08-15T14:21:04Z 2000 Master Thesis Masters MSc http://hdl.handle.net/11427/6582 eng application/pdf Department of Chemistry Faculty of Science University of Cape Town |
| spellingShingle | Best, Robert Combined NMR and simulation study of carbohydrate linkage dynamics |
| thesis_degree_str | Master's |
| title | Combined NMR and simulation study of carbohydrate linkage dynamics |
| title_full | Combined NMR and simulation study of carbohydrate linkage dynamics |
| title_fullStr | Combined NMR and simulation study of carbohydrate linkage dynamics |
| title_full_unstemmed | Combined NMR and simulation study of carbohydrate linkage dynamics |
| title_short | Combined NMR and simulation study of carbohydrate linkage dynamics |
| title_sort | combined nmr and simulation study of carbohydrate linkage dynamics |
| url | http://hdl.handle.net/11427/6582 |
| work_keys_str_mv | AT bestrobert combinednmrandsimulationstudyofcarbohydratelinkagedynamics |