title: 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.
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.
authors: Polish Academy of Sciences, Centre of Molecular and Macromolecular Studies, Lodz 90-363, Poland.
authors: P
authors: P
authors: Paluch
authors: UCCS, University Lille North of France, Villeneuve d'Ascq 59652, France.
authors: J
authors: J
authors: Trébosc
authors: JEOL RESONANCE Inc., Musashino, Akishima, Tokyo 196-8558, Japan; RIKEN CLST-JEOL Collaboration Center, Yokohama, Kanagawa 230-0045, Japan.
authors: Y
authors: Y
authors: Nishiyama
authors: Polish Academy of Sciences, Centre of Molecular and Macromolecular Studies, Lodz 90-363, Poland.
authors: M J
authors: MJ
authors: Potrzebowski
authors: JEOL RESONANCE Inc., Musashino, Akishima, Tokyo 196-8558, Japan; RIKEN CLST-JEOL Collaboration Center, Yokohama, Kanagawa 230-0045, Japan.
authors: M
authors: M
authors: Malon
authors: UCCS, University Lille North of France, Villeneuve d'Ascq 59652, France; Physics Department, Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062, China. Electronic address: jean-paul.amoureux@univ-lille1.fr.
authors: J P
authors: JP
authors: Amoureux
mesh_terms: D000465:Algorithms; D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D006859:Hydrogen / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D015203:Reproducibility of Results; D012399:Rotation; D012680:Sensitivity and Specificity
chemical_list: D002244:Carbon; D006859:Hydrogen
keywords: Cross-Polarization; C–H distances; Dynamics; Ultra-fast MAS