13C chemical shielding tensor orientations in a phosphoenolpyruvate moiety from 13C rotational-resonance MAS NMR lineshapes

Autor:	Stephan Dusold, Angelika Sebald, Matthias Bechmann, Jeremy N.S. Evans, Dan J. Mitchell, David L. Jakeman, Wendy A. Shuttleworth
Rok vydání:	2004
Předmět:	Crystallography Chemistry Solid-state Moiety General Materials Science General Chemistry Crystal structure Crystallite Tensor Condensed Matter Physics Phosphoenolpyruvate carboxykinase Rotational resonance Chemical shielding
Zdroj:	Solid State Sciences. 6:1097-1105
ISSN:	1293-2558
DOI:	10.1016/j.solidstatesciences.2004.04.021
Popis:	The absolute orientations of the three 13 C chemical shielding tensors in the phosphoenolpyruvate (PEP) moiety in a PEP-model compound with known crystal structure are reported. The study uses a fully 13 C-enriched polycrystalline sample of triammonium phosphoenolpyruvate monohydrate, (NH 4 ) 3 (PEP)⋅H 2 O, and 13 C MAS NMR experiments fulfilling various different 13 C rotational-resonance conditions. The absolute 13 C chemical shielding tensor orientations are derived by iterative fitting, employing numerically exact simulations, of various rotational-resonance 13 C MAS NMR lineshapes of the three- 13 C-spin system in fully 13 C-enriched (NH 4 ) 3 (PEP)⋅H 2 O. The implications of the results of this study for future, biochemically oriented solid-state NMR studies on the PEP moiety are outlined.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::41102903f6446deb6c75ce90a2913683 https://doi.org/10.1016/j.solidstatesciences.2004.04.021 Zobrazit plný text záznamu Full Text from ScienceDirect