Determination of Relative Configuration from Residual Chemical Shift Anisotropy

2016 ◽  
Vol 138 (30) ◽  
pp. 9548-9556 ◽  
Author(s):  
Nilamoni Nath ◽  
Manuel Schmidt ◽  
Roberto R. Gil ◽  
R. Thomas Williamson ◽  
Gary E. Martin ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Anisotropy ◽  
Relative Configuration ◽  
Residual Chemical Shift Anisotropy

scholarly journals Relative configuration of micrograms of natural compounds using proton residual chemical shift anisotropy

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Nilamoni Nath ◽  
Juan Carlos Fuentes-Monteverde ◽  
Dawrin Pech-Puch ◽  
Jaime Rodríguez ◽  
Carlos Jiménez ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Residual Dipolar Couplings ◽  
Chemical Shift Anisotropy ◽  
Dipolar Couplings ◽  
Structural Determination ◽  
Proton Proton ◽  
Relative Configuration ◽  
Similar Information ◽  
3D Molecular Structure

Abstract 3D molecular structure determination is a challenge for organic compounds or natural products available in minute amounts. Proton/proton and proton/carbon correlations yield the constitution. J couplings and NOEs oftentimes supported by one-bond 1H,13C residual dipolar couplings (RDCs) or by 13C residual chemical shift anisotropies (RCSAs) provide the relative configuration. However, these RDCs or carbon RCSAs rely on 1% natural abundance of 13C preventing their use for compounds available only in quantities of a few 10’s of µgs. By contrast, 1H RCSAs provide similar information on spatial orientation of structural moieties within a molecule, while using the abundant 1H spin. Herein, 1H RCSAs are accurately measured using constrained aligning gels or liquid crystals and applied to the 3D structural determination of molecules with varying complexities. Even more, deuterated alignment media allow the elucidation of the relative configuration of around 35 µg of a briarane compound isolated from Briareum asbestinum.

scholarly journals Author Correction: Relative configuration of micrograms of natural compounds using proton residual chemical shift anisotropy

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Nilamoni Nath ◽  
Juan Carlos Fuentes-Monteverde ◽  
Dawrin Pech-Puch ◽  
Jaime Rodríguez ◽  
Carlos Jiménez ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Anisotropy ◽  
Natural Compounds ◽  
Relative Configuration ◽  
Residual Chemical Shift Anisotropy

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

scholarly journals Determination of tensorial orientation of chemical shift anisotropy interaction by relaxation studies of 2IzSz spin order in solution

1990 ◽  
Vol 94 (4) ◽  
pp. 1343-1346 ◽  
Author(s):  
Wen Tsung. Chang ◽  
Pei Lein. Wang ◽  
Der Ming. Duh ◽  
Lian Pin. Hwang
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Anisotropy ◽  
Spin Order ◽  
Relaxation Studies

scholarly journals Determination of 15N Chemical Shift Anisotropy from a Membrane-Bound Protein by NMR Spectroscopy

2012 ◽  
Vol 116 (24) ◽  
pp. 7181-7189 ◽  
Author(s):  
Manoj Kumar Pandey ◽  
Subramanian Vivekanandan ◽  
Shivani Ahuja ◽  
Kumar Pichumani ◽  
Sang-Choul Im ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Chemical Shift Anisotropy ◽  
Membrane Bound

Determination of the 15 N chemical shift anisotropy in natural abundance samples by proton-detected 3D solid-state NMR under ultrafast MAS of 70 kHz

2019 ◽  
Vol 57 (6) ◽  
pp. 294-303 ◽  
Author(s):  
Federica Rossi ◽  
Nghia Tuan Duong ◽  
Manoj Kumar Pandey ◽  
Michele R. Chierotti ◽  
Roberto Gobetto ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Chemical Shift Anisotropy ◽  
Natural Abundance ◽  
3D Solid

scholarly journals Major groove width variations in RNA structures determined by NMR and impact of 13C residual chemical shift anisotropy and 1H–13C residual dipolar coupling on refinement

2010 ◽  
Vol 47 (3) ◽  
pp. 205-219 ◽  
Author(s):  
Blanton S. Tolbert ◽  
Yasuyuki Miyazaki ◽  
Shawn Barton ◽  
Benyam Kinde ◽  
Patrice Starck ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Dipolar Coupling ◽  
Chemical Shift Anisotropy ◽  
Residual Dipolar Coupling ◽  
Groove Width ◽  
Major Groove ◽  
Rna Structures ◽  
Residual Chemical Shift Anisotropy

scholarly journals Determination of relative tensor orientations by γ-encoded chemical shift anisotropy/heteronuclear dipolar coupling 3D NMR spectroscopy in biological solids

2010 ◽  
Vol 12 (45) ◽  
pp. 14873 ◽  
Author(s):  
Guangjin Hou ◽  
Sivakumar Paramasivam ◽  
In-Ja L. Byeon ◽  
Angela M. Gronenborn ◽  
Tatyana Polenova
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Dipolar Coupling ◽  
Chemical Shift Anisotropy ◽  
3D Nmr ◽  
Biological Solids
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