Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 22, Issue 46, Pages 16632-16635Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201603333
Keywords
anisotropy; compression; relaxation method; gels; NMR spectroscopy
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Funding
- NSF [CHE-1111684]
- University of Pernambuco
- FACEPE [APQ-0507-1.06/15]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1111684] Funding Source: National Science Foundation
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Anisotropic NMR parameters, such as residual dipolar couplings (RDCs), residual chemical shift anisotropies (RCSAs) and residual quadrupolar couplings (RQCs or (Q)), appear in solution-state NMR when the molecules under study are subjected to a degree of order. The tunable alignment by reversible compression/relaxation of gels (PMMA and p-HEMA) is an easy, user-friendly, and very affordable method to measure them. When using this method, a fraction of isotropic NMR signals is observed in the NMR spectra, even at a maximum degree of compression. To explain the origin of these isotropic signals we decided to investigate their physical location inside the NMR tube using deuterium 1D imaging and MRI micro-imaging experiments. It was observed that after a certain degree of compression the gels start to buckle and they generate pockets of isotropic solvent, which are never eliminated. The amount of buckling depends on the amount of cross-linker and the length of the gel.
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