A New Tool for NMR Crystallography: Complete 13C/15N Assignment of Organic Molecules at Natural Isotopic Abundance Using DNP-Enhanced Solid-State NMR

2015 ◽  
Vol 137 (43) ◽  
pp. 13796-13799 ◽  
Author(s):  
Katharina Märker ◽  
Morgane Pingret ◽  
Jean-Marie Mouesca ◽  
Didier Gasparutto ◽  
Sabine Hediger ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Organic Molecules ◽  
Isotopic Abundance ◽  
Natural Isotopic Abundance ◽  
Nmr Crystallography

Solid-state NMR at natural isotopic abundance for the determination of conformational polymorphism – the case of designed β-turn peptides containing di-prolines

2017 ◽  
Vol 53 (7) ◽  
pp. 1317-1320 ◽  
Author(s):  
Jayasubba Reddy Yarava ◽  
Rajesh Sonti ◽  
K. Kantharaju ◽  
S. Raghothama ◽  
K. V. Ramanathan
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Solution Nmr ◽  
Isotopic Abundance ◽  
Conformational Polymorphism ◽  
Natural Isotopic Abundance

Like nOe in solution NMR, through-space proton correlations have been exploited in the solid state to obtain the cis–trans conformational polymorphism.

scholarly journals Structural Fingerprinting of Protein Aggregates by Dynamic Nuclear Polarization-Enhanced Solid-State NMR at Natural Isotopic Abundance

2018 ◽  
Vol 140 (44) ◽  
pp. 14576-14580 ◽  
Author(s):  
Adam N. Smith ◽  
Katharina Märker ◽  
Talia Piretra ◽  
Jennifer C. Boatz ◽  
Irina Matlahov ◽  
...  
Keyword(s):  
Solid State ◽  
Dynamic Nuclear Polarization ◽  
Solid State Nmr ◽  
Nuclear Polarization ◽  
Protein Aggregates ◽  
Isotopic Abundance ◽  
Natural Isotopic Abundance

scholarly journals Welcoming natural isotopic abundance in solid-state NMR: probing π-stacking and supramolecular structure of organic nanoassemblies using DNP

2017 ◽  
Vol 8 (2) ◽  
pp. 974-987 ◽  
Author(s):  
Katharina Märker ◽  
Subhradip Paul ◽  
Carlos Fernández-de-Alba ◽  
Daniel Lee ◽  
Jean-Marie Mouesca ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Supramolecular Structure ◽  
Polarization Transfer ◽  
Natural Abundance ◽  
Isotopic Abundance ◽  
Natural Isotopic Abundance ◽  
Π Stacking

The low natural abundance of 13C combined with MAS-DNP enables 13C–13C polarization transfer up to ∼7 Å and observation of π-stacking.

Identifying Guanosine Self Assembly at Natural Isotopic Abundance by High-Resolution1H and13C Solid-State NMR Spectroscopy

2011 ◽  
Vol 133 (49) ◽  
pp. 19777-19795 ◽  
Author(s):  
Amy L. Webber ◽  
Stefano Masiero ◽  
Silvia Pieraccini ◽  
Jonathan C. Burley ◽  
Andrew S. Tatton ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Self Assembly ◽  
Solid State Nmr ◽  
Isotopic Abundance ◽  
Solid State Nmr Spectroscopy ◽  
Natural Isotopic Abundance

scholarly journals Combining solid-state NMR spectroscopy with first-principles calculations – a guide to NMR crystallography

2016 ◽  
Vol 52 (45) ◽  
pp. 7186-7204 ◽  
Author(s):  
Sharon E. Ashbrook ◽  
David McKay
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
First Principles ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
First Principles Calculations ◽  
Recent Developments ◽  
Future Potential ◽  
Nmr Crystallography

DFT calculations are an important tool in assigning and interpreting NMR spectra of solids: we discuss recent developments and their future potential in the context of NMR crystallography.

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