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  Measurement of residual chemical shift anisotropies in compressed PMMA gels. Automatic compensation of gel isotropic shift contribution.

Hallwass, F., Teles, R. R., Hellemann, E., Griesinger, C., Gil, R. R., & Navarro-Vázquez, A. (2018). Measurement of residual chemical shift anisotropies in compressed PMMA gels. Automatic compensation of gel isotropic shift contribution. Magnetic Resonance in Chemistry, 56(5), 321-328. doi:10.1002/mrc.4711.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0000-32B0-0 Version Permalink: http://hdl.handle.net/21.11116/0000-0003-6480-B
Genre: Journal Article

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 Creators:
Hallwass, F.1, Author              
Teles, R. R., Author
Hellemann , E., Author
Griesinger, C.1, Author              
Gil, R. R., Author
Navarro-Vázquez, A., Author
Affiliations:
1Department of NMR-based Structural Biology, ou_578567              

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Free keywords: NMR; RCSAs; RDCs; aligning media; relative configuration
 Abstract: Mechanical compression of polymer gels provides a simple way for the measurement of Residual Chemical Shift Anisotropies (RCSAs), which then can be employed, on its own, or in combination with Residual Dipolar Couplings (RDCs), for structural elucidation purposes. RCSAs measured using compression devices needed a posteriori correction to account for the increase of the polymer to solvent ratio inside the swollen gel. This correction has been cast before in terms of a single free parameter which, as shown here, can be simultaneously optimized along with the components of the alignment tensor while still retaining discriminating power of the different relative configurations as illustrated in the stereochemical analysis of α-santonin and 10-epi-8-deoxycumambrin B.

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Language(s): eng - English
 Dates: 2018-01-112018-05
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1002/mrc.4711
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Title: Magnetic Resonance in Chemistry
Source Genre: Journal
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Pages: - Volume / Issue: 56 (5) Sequence Number: - Start / End Page: 321 - 328 Identifier: -