Literature DB >> 25662360

Theoretical study of CP-VC: a simple, robust and accurate MAS NMR method for analysis of dipolar C-H interactions under rotation speeds faster than ca. 60 kHz.

P Paluch1, J Trébosc2, Y Nishiyama3, M J Potrzebowski1, M Malon3, J P Amoureux4.   

Abstract

We show that Cross-Polarization with Variable Contact-time (CP-VC) allows an accurate determination of C-H dipolar interactions, which permits an easy detailed analysis of bond lengths and local dynamics, e.g. in biomolecules. The method presents a large dipolar scaling factor of 1/√2, leading to a better determination of dipolar interactions, especially for long C-H distances, and it allows the observation of very small local details such as those related either to CH(2) three spin systems, or even to hydrogen bonds. CP-VC is very simple to set up and very robust with respect to most experimental parameters, such as: rf-offsets, chemical-shift anisotropies, imperfect Hartmann-Hahn setting, and rf-inhomogeneity. The only required condition is the use of a sufficiently fast MAS spinning speed of at least ca. 60 kHz.
Copyright © 2015 Elsevier Inc. All rights reserved.

Entities:  

Keywords:  Cross-Polarization; C–H distances; Dynamics; Ultra-fast MAS

Mesh:

Substances:

Year:  2015        PMID: 25662360     DOI: 10.1016/j.jmr.2015.01.002

Source DB:  PubMed          Journal:  J Magn Reson        ISSN: 1090-7807            Impact factor:   2.229


  7 in total

1.  Determination of methyl order parameters using solid state NMR under off magic angle spinning.

Authors:  Kai Xue; Salvatore Mamone; Benita Koch; Riddhiman Sarkar; Bernd Reif
Journal:  J Biomol NMR       Date:  2019-08-12       Impact factor: 2.835

Review 2.  Structural biology of supramolecular assemblies by magic-angle spinning NMR spectroscopy.

Authors:  Caitlin M Quinn; Tatyana Polenova
Journal:  Q Rev Biophys       Date:  2017-01       Impact factor: 5.318

3.  RF inhomogeneity and how it controls CPMAS.

Authors:  Rupal Gupta; Guangjin Hou; Tatyana Polenova; Alexander J Vega
Journal:  Solid State Nucl Magn Reson       Date:  2015-09-25       Impact factor: 2.293

4.  Analysis of local molecular motions of aromatic sidechains in proteins by 2D and 3D fast MAS NMR spectroscopy and quantum mechanical calculations.

Authors:  Piotr Paluch; Tomasz Pawlak; Agata Jeziorna; Julien Trébosc; Guangjin Hou; Alexander J Vega; Jean-Paul Amoureux; Martin Dracinsky; Tatyana Polenova; Marek J Potrzebowski
Journal:  Phys Chem Chem Phys       Date:  2015-11-21       Impact factor: 3.676

Review 5.  Advances in instrumentation and methodology for solid-state NMR of biological assemblies.

Authors:  Rachel W Martin; John E Kelly; Jessica I Kelz
Journal:  J Struct Biol       Date:  2018-09-08       Impact factor: 2.867

6.  Exploring the salt-cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering.

Authors:  Lalit Rajput; Manas Banik; Jayasubba Reddy Yarava; Sumy Joseph; Manoj Kumar Pandey; Yusuke Nishiyama; Gautam R Desiraju
Journal:  IUCrJ       Date:  2017-06-05       Impact factor: 4.769

7.  Understanding hydrogen-bonding structures of molecular crystals via electron and NMR nanocrystallography.

Authors:  Candelaria Guzmán-Afonso; You-Lee Hong; Henri Colaux; Hirofumi Iijima; Akihiro Saitow; Takuma Fukumura; Yoshitaka Aoyama; Souhei Motoki; Tetsuo Oikawa; Toshio Yamazaki; Koji Yonekura; Yusuke Nishiyama
Journal:  Nat Commun       Date:  2019-08-06       Impact factor: 14.919

  7 in total

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