Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Spectral density mapping at multiple magnetic fields suitable for C-13 NMR relaxation studies
Show others and affiliations
2016 (English)In: Journal of magnetic resonance, ISSN 1090-7807, E-ISSN 1096-0856, Vol. 266, p. 23-40Article in journal (Refereed) Published
Abstract [en]

Standard spectral density mapping protocols, well suited for the analysis of N-15 relaxation rates, introduce significant systematic errors when applied to C-13 relaxation data, especially if the dynamics is dominated by motions with short correlation times (small molecules, dynamic residues of macromolecules). A possibility to improve the accuracy by employing cross-correlated relaxation rates and on measurements taken at several magnetic fields has been examined. A suite of protocols for analyzing such data has been developed and their performance tested. Applicability of the proposed protocols is documented in two case studies, spectral density mapping of a uniformly labeled RNA hairpin and of a selectively labeled disaccharide exhibiting highly anisotropic tumbling. Combination of auto- and cross-correlated relaxation data acquired at three magnetic fields was applied in the former case in order to separate effects of fast motions and conformational or chemical exchange. An approach using auto-correlated relaxation rates acquired at five magnetic fields, applicable to anisotropically moving molecules, was used in the latter case. The results were compared with a more advanced analysis of data obtained by interpolation of auto-correlated relaxation rates measured at seven magnetic fields, and with the spectral density mapping of cross-correlated relaxation rates. The results showed that sufficiently accurate values of auto- and cross-correlated spectral density functions at zero and C-13 frequencies can be obtained from data acquired at three magnetic fields for uniformly C-13-labeled molecules with a moderate anisotropy of the rotational diffusion tensor. Analysis of auto-correlated relaxation rates at five magnetic fields represents an alternative for molecules undergoing highly anisotropic motions.

Place, publisher, year, edition, pages
Elsevier, 2016. Vol. 266, p. 23-40
Keywords [en]
Nuclear magnetic resonance, Relaxation, Spectral density function, Magnetic field, Nucleic acids, Carbohydrates
National Category
Biological Sciences Physical Sciences Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-130855DOI: 10.1016/j.jmr.2016.02.016ISI: 000375510100004PubMedID: 27003380OAI: oai:DiVA.org:su-130855DiVA, id: diva2:934848
Funder
Swedish Research CouncilAvailable from: 2016-06-09 Created: 2016-06-07 Last updated: 2018-11-12Bibliographically approved

Open Access in DiVA

fulltext(1404 kB)31 downloads
File information
File name FULLTEXT01.pdfFile size 1404 kBChecksum SHA-512
c929a409557289a9dfd2ab89611fdc1d2a04f0f4020476502e41fa613dcae66c8ec591a4749029dd8a18eaeaf44d436e84cec4cac202c9faa6b5e51e6c872bf3
Type fulltextMimetype application/pdf

Other links

Publisher's full textPubMed

Search in DiVA

By author/editor
Kowalewski, JozefWidmalm, Göran
By organisation
Department of Materials and Environmental Chemistry (MMK)Department of Organic Chemistry
In the same journal
Journal of magnetic resonance
Biological SciencesPhysical SciencesChemical Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 31 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 523 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf