Scalar cross-relaxation detected in the NOESY spectra of oxazolidines and thiazolidines
Anomalous cross-peaks observed in the NOESY spectra of 2,4-disubstituted thiazolidines and oxazoli-dines that cannot be attributed to classical dipolar NOE or chemical exchange peaks have been investi-gated experimentally and computationally and shown to arise from scalar cross-relaxation of the fir...
| Päätekijät: | , , , , , |
|---|---|
| Aineistotyyppi: | Journal article |
| Julkaistu: |
American Chemical Society
2016
|
| _version_ | 1826294212229857280 |
|---|---|
| author | Claridge, T Moloney, M Odell, B Kuprov, I Panduwawala, T Josa-Culleré, L |
| author_facet | Claridge, T Moloney, M Odell, B Kuprov, I Panduwawala, T Josa-Culleré, L |
| author_sort | Claridge, T |
| collection | OXFORD |
| description | Anomalous cross-peaks observed in the NOESY spectra of 2,4-disubstituted thiazolidines and oxazoli-dines that cannot be attributed to classical dipolar NOE or chemical exchange peaks have been investi-gated experimentally and computationally and shown to arise from scalar cross-relaxation of the first kind (SCRFK). This process is stimulated by the relatively slow modulation of scalar couplings, and for the systems studied arises from slow on-off proton exchange of the amino nitrogen, a process influenced by solution temperature, acidity and concentration. The mechanism is likely to be significant for many systems in which proton exchange occurs on the millisecond timescale, and misinterpretation of these cross-peaks may lead to erroneous conclusions should their true origins not be recognised. |
| first_indexed | 2024-03-07T03:42:09Z |
| format | Journal article |
| id | oxford-uuid:be459b44-40b7-4e00-aca7-5acb64d3c79d |
| institution | University of Oxford |
| last_indexed | 2024-03-07T03:42:09Z |
| publishDate | 2016 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | oxford-uuid:be459b44-40b7-4e00-aca7-5acb64d3c79d2022-03-27T05:38:01ZScalar cross-relaxation detected in the NOESY spectra of oxazolidines and thiazolidinesJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:be459b44-40b7-4e00-aca7-5acb64d3c79dSymplectic Elements at OxfordAmerican Chemical Society2016Claridge, TMoloney, MOdell, BKuprov, IPanduwawala, TJosa-Culleré, LAnomalous cross-peaks observed in the NOESY spectra of 2,4-disubstituted thiazolidines and oxazoli-dines that cannot be attributed to classical dipolar NOE or chemical exchange peaks have been investi-gated experimentally and computationally and shown to arise from scalar cross-relaxation of the first kind (SCRFK). This process is stimulated by the relatively slow modulation of scalar couplings, and for the systems studied arises from slow on-off proton exchange of the amino nitrogen, a process influenced by solution temperature, acidity and concentration. The mechanism is likely to be significant for many systems in which proton exchange occurs on the millisecond timescale, and misinterpretation of these cross-peaks may lead to erroneous conclusions should their true origins not be recognised. |
| spellingShingle | Claridge, T Moloney, M Odell, B Kuprov, I Panduwawala, T Josa-Culleré, L Scalar cross-relaxation detected in the NOESY spectra of oxazolidines and thiazolidines |
| title | Scalar cross-relaxation detected in the NOESY spectra of oxazolidines and thiazolidines |
| title_full | Scalar cross-relaxation detected in the NOESY spectra of oxazolidines and thiazolidines |
| title_fullStr | Scalar cross-relaxation detected in the NOESY spectra of oxazolidines and thiazolidines |
| title_full_unstemmed | Scalar cross-relaxation detected in the NOESY spectra of oxazolidines and thiazolidines |
| title_short | Scalar cross-relaxation detected in the NOESY spectra of oxazolidines and thiazolidines |
| title_sort | scalar cross relaxation detected in the noesy spectra of oxazolidines and thiazolidines |
| work_keys_str_mv | AT claridget scalarcrossrelaxationdetectedinthenoesyspectraofoxazolidinesandthiazolidines AT moloneym scalarcrossrelaxationdetectedinthenoesyspectraofoxazolidinesandthiazolidines AT odellb scalarcrossrelaxationdetectedinthenoesyspectraofoxazolidinesandthiazolidines AT kuprovi scalarcrossrelaxationdetectedinthenoesyspectraofoxazolidinesandthiazolidines AT panduwawalat scalarcrossrelaxationdetectedinthenoesyspectraofoxazolidinesandthiazolidines AT josacullerel scalarcrossrelaxationdetectedinthenoesyspectraofoxazolidinesandthiazolidines |