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Spectral density mapping at multiple magnetic fields suitable for C-13 NMR relaxation studies

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081707%3A_____%2F16%3A00471360" target="_blank" >RIV/68081707:_____/16:00471360 - isvavai.cz</a>

  • Alternative codes found

    RIV/61388971:_____/16:00471360

  • Result on the web

    <a href="http://dx.doi.org/10.1016/j.jmr.2016.02.016" target="_blank" >http://dx.doi.org/10.1016/j.jmr.2016.02.016</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.jmr.2016.02.016" target="_blank" >10.1016/j.jmr.2016.02.016</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Spectral density mapping at multiple magnetic fields suitable for C-13 NMR relaxation studies

  • Original language description

    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. (C) 2016 Elsevier Inc. All rights reserved.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    BO - Biophysics

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2016

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Magnetic Resonance. A

  • ISSN

    1064-1858

  • e-ISSN

  • Volume of the periodical

    266

  • Issue of the periodical within the volume

    MAY2016

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    18

  • Pages from-to

    23-40

  • UT code for WoS article

    000375510100004

  • EID of the result in the Scopus database