Articles | Volume 2, issue 1
© Author(s) 2021. This work is distributed underthe Creative Commons Attribution 4.0 License.
Residual dipolar line width in magic-angle spinning proton solid-state NMR
- Final revised paper (published on 01 Jul 2021)
- Supplement to the final revised paper
- Preprint (discussion started on 20 May 2021)
- Supplement to the preprint
Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor |
: Report abuse
RC1: 'Comment on mr-2021-45', Anonymous Referee #1, 02 Jun 2021
- AC1: 'Reply on RC1', Matthias Ernst, 02 Jun 2021
RC2: 'Comment on mr-2021-45', Anonymous Referee #2, 04 Jun 2021
- AC2: 'Reply on RC2', Matthias Ernst, 07 Jun 2021
Peer review completion
AR: Author's response | RR: Referee report | ED: Editor decision
AR by Matthias Ernst on behalf of the Authors (22 Jun 2021)  Author's response Author's tracked changes Manuscript
ED: Publish subject to minor revisions (review by editor) (23 Jun 2021) by Paul Schanda
AR by Matthias Ernst on behalf of the Authors (23 Jun 2021)  Author's response Author's tracked changes Manuscript
ED: Publish as is (24 Jun 2021) by Paul Schanda
This is a very well written paper about an interesting and key topic in solid-state NMR, namely understanding the spinning-frequency dependence of 1H solid-state NMR lineshapes under magic-angle spinning (MAS). Specifically, exact numerical simulations are compared to predictions from second- or third-order Floquet theory effective Hamiltonian expressions. In this way, subtle effects relating a change from a 1/spinning frequency to 1/spinning frequency^2 dependence as well as small shifts in the lineshape centre of gravity are explored, notably considering the usual case of 1H spins with different 1H chemical shifts. Experimental 1H MAS NMR spectra up to 160 kHz MAS are also presented for ortho-phospho-L-serine showing the same shifts in the lineshape centre of gravity are well explained by the theoretical predictions.
Fig. 4 caption, 3rd line: deviations which become
Fig. 6 explain the straight lines in the caption
Fig. 8 avoid repeat of bue and red in c to avoid confusion with colours used in b: how about green and orange instead?
Can the SI use S1 etc labels for page numbers, sections, Tables and Figures.
SI Figure 2: line 4, space between set and between