Combined 135/137Ba Solid-State NMR at an Ultrahigh Magnetic Field and Computational Study of β-Barium Borate

2009 ◽  
Vol 113 (50) ◽  
pp. 21196-21201 ◽  
Author(s):  
Andre Sutrisno ◽  
Cheng Lu ◽  
R. H. Lipson ◽  
Yining Huang





2010 ◽  
Vol 46 (16) ◽  
pp. 2817 ◽  
Author(s):  
Andre Sutrisno ◽  
Margaret A. Hanson ◽  
Paul A. Rupar ◽  
Victor V. Terskikh ◽  
Kim M. Baines ◽  
...  




2009 ◽  
Vol 113 (23) ◽  
pp. 10029-10037 ◽  
Author(s):  
Jianfeng Zhu ◽  
Nick Trefiak ◽  
Tom K. Woo ◽  
Yining Huang


2010 ◽  
Vol 38 (8) ◽  
pp. 1719-1722 ◽  
Author(s):  
Victor D Selemir ◽  
Vasily A Demidov ◽  
Pavel B Repin ◽  
Andrey P Orlov ◽  
Nikolay V Egorov


2021 ◽  
Author(s):  
Alexander A. Malär ◽  
Laura A. Völker ◽  
Riccardo Cadalbert ◽  
Lauriane Lecoq ◽  
Matthias Ernst ◽  
...  

Temperature-dependent NMR experiments are often complicated by rather long magnetic-field equilibration times, for example occurring upon a change of sample temperature. We demonstrate that the fast temporal stabilization of the magnetic field can be achieved by actively stabilizing the temperature which allows to quantify the weak temperature dependence of the proton chemical shift which can be diagnostic for the presence of hydrogen bonds. Hydrogen bonding plays a central role in molecular recognition events from both fields, chemistry and biology. Their direct detection by standard structure determination techniques, such as X-ray crystallography or cryo-electron microscopy, remains challenging due to the difficulties of approaching the required resolution, on the order of 1 Å. We herein explore a spectroscopic approach using solid-state NMR to identify protons engaged in hydrogen bonds and explore the measurement of proton chemical-shift temperature coefficients. Using the examples of a phosphorylated amino acid and the protein ubiquitin, we show that fast Magic-Angle Spinning (MAS) experiments at 100 kHz yield sufficient resolution in proton-detected spectra to quantify the rather small chemical-shift changes upon temperature variations.<br>





2000 ◽  
Vol 145 (2) ◽  
pp. 334-339 ◽  
Author(s):  
Patrick Charmont ◽  
Anne Lesage ◽  
Stefan Steuernagel ◽  
Frank Engelke ◽  
Lyndon Emsley


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