Distance measurements in disodium ATP hydrates by means of 31P double quantum two-dimensional solid-state NMR spectroscopy

Band inversion amplifies31P-31P nuclear overhauser effects: Relaxation mechanism and dynamic behavior of ATP in the human brain by31P MRS at 7 T

“…In Eq. [6], is the distance between two neighboring 31 P spins within ATP ( 2.95 Å, ref), is the Larmor frequency (120.6 MHz for 31 P at 7 Tesla (T)), the constant D , , is numerically equal to 33.93 Å s −1/3 , and is the rotational correlation time describing the dynamic property of ATP tumbling. Thus, by fitting the kinetic data sets quantitative information about 31 P exchange kinetics and relaxation can be obtained including and (Eqs.…”

“…[4]). Because the 31 PÀ 31 P distance r in ATP molecular is known (r 31PÀ31P $ 2.95 Å ) (17), it becomes straightforward to obtain s c from r using Eq. [4].…”

A practical guide for the setup of a 1H–31P–13C double cross-polarization (DCP) experiment

“…Very recently, Saito and co-workers [26] as well Potrzebowski et al [27] have presented solid-state NMR studies of different hydrates of an Na 2 ATP. A simple pattern, based on 13 C and 31 P CP/MAS spectra analysis, allowing the recognition of the monohydrate, mixtures of hydrates, and the trihydrate in powdered samples has been presented.…”

“…1). Various { 31 P-X} pairs have been considered under such an approach, including the most frequently used { 31 P, 27 Al} [7], { 31 P, 113 Cd} [8], { 31 P, 77 Se} [9] and { 31 P, 29 Si} [10].…”

Double-quantum NMR spectroscopy of 31P species submitted to very large CSAs

“…In the case of 31 P nuclei, homonuclear 2QCs have been created under MAS condition by using BABA [8], [fp-RFDR] [12], and RN m n or CN m n symmetry-based sequences [9][10][11]13], such as POST-C7 [24]. These recoupling methods allow to obtain 2D 2Q-1Q D-HOMCOR experiments and to estimate the 31 P-31 P inter-nuclear distances [11,41,42].…”