Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment.
A recently developed chemical shift anisotropy amplification solid-state nuclear magnetic resonance (NMR) experiment is applied to the measurement of the chemical shift tensors in three disaccharides: sucrose, maltose, and trehalose. The measured tensor principal values are compared with those calcu...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
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2007
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| _version_ | 1826257650649661440 |
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| author | Shao, L Yates, JR Titman, J |
| author_facet | Shao, L Yates, JR Titman, J |
| author_sort | Shao, L |
| collection | OXFORD |
| description | A recently developed chemical shift anisotropy amplification solid-state nuclear magnetic resonance (NMR) experiment is applied to the measurement of the chemical shift tensors in three disaccharides: sucrose, maltose, and trehalose. The measured tensor principal values are compared with those calculated from first principles using density functional theory within the planewave-pseudopotential approach. In addition, a method of assigning poorly dispersed NMR spectra, based on comparing experimental and calculated shift anisotropies as well as isotropic shifts, is demonstrated. |
| first_indexed | 2024-03-06T18:21:31Z |
| format | Journal article |
| id | oxford-uuid:0675a88f-dca0-4fdd-a7b6-12f687d88f84 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T18:21:31Z |
| publishDate | 2007 |
| record_format | dspace |
| spelling | oxford-uuid:0675a88f-dca0-4fdd-a7b6-12f687d88f842022-03-26T09:02:38ZCarbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:0675a88f-dca0-4fdd-a7b6-12f687d88f84EnglishSymplectic Elements at Oxford2007Shao, LYates, JRTitman, JA recently developed chemical shift anisotropy amplification solid-state nuclear magnetic resonance (NMR) experiment is applied to the measurement of the chemical shift tensors in three disaccharides: sucrose, maltose, and trehalose. The measured tensor principal values are compared with those calculated from first principles using density functional theory within the planewave-pseudopotential approach. In addition, a method of assigning poorly dispersed NMR spectra, based on comparing experimental and calculated shift anisotropies as well as isotropic shifts, is demonstrated. |
| spellingShingle | Shao, L Yates, JR Titman, J Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment. |
| title | Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment. |
| title_full | Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment. |
| title_fullStr | Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment. |
| title_full_unstemmed | Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment. |
| title_short | Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment. |
| title_sort | carbon 13 chemical shift tensors of disaccharides measurement computation and assignment |
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