Indirect detection of broad spectra in ...
Type de document :
Article dans une revue scientifique: Article original
PMID :
URL permanente :
Titre :
Indirect detection of broad spectra in solid-state NMR using interleaved DANTE trains
Auteur(s) :
Li, Yixuan [Auteur]
East China Normal University [Shangaï] [ECNU]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Trebosc, Julien [Auteur]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Hu, Bingwen [Auteur]
East China Normal University [Shangaï] [ECNU]
Shen, Ming [Auteur]
East China Normal University [Shangaï] [ECNU]
Amoureux, Jean-Paul [Auteur]
Bruker
East China Normal University [Shangaï] [ECNU]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Lafon, Olivier [Auteur]
Institut universitaire de France [IUF]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
East China Normal University [Shangaï] [ECNU]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Trebosc, Julien [Auteur]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Hu, Bingwen [Auteur]
East China Normal University [Shangaï] [ECNU]
Shen, Ming [Auteur]
East China Normal University [Shangaï] [ECNU]
Amoureux, Jean-Paul [Auteur]
![refId](/themes/Mirage2//images/idref.png)
Bruker
East China Normal University [Shangaï] [ECNU]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Lafon, Olivier [Auteur]
![refId](/themes/Mirage2//images/idref.png)
Institut universitaire de France [IUF]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Titre de la revue :
Journal of Magnetic Resonance
Nom court de la revue :
J. Magn. Reson.
Numéro :
294
Pagination :
101-114
Éditeur :
Elsevier
Date de publication :
2018-09-01
ISSN :
1090-7807
Mot(s)-clé(s) en anglais :
Very large CSA
N-14
Fast MAS
Broadband excitation
DANTE
Solid-state NMR
N-14
Fast MAS
Broadband excitation
DANTE
Solid-state NMR
Discipline(s) HAL :
Chimie/Chimie inorganique
Résumé en anglais : [en]
We analyze the performances and the optimization of 1H-{I} HMQC experiments using basic and interleaved DANTE schemes for the indirect detection of nuclei I = 1/2 or 1 exhibiting wide lines dominated by chemical shift ...
Lire la suite >We analyze the performances and the optimization of 1H-{I} HMQC experiments using basic and interleaved DANTE schemes for the indirect detection of nuclei I = 1/2 or 1 exhibiting wide lines dominated by chemical shift anisotropy (CSA) or quadrupole interaction, respectively. These sequences are first described using average Hamiltonian theory. Then, we analyze using numerical simulations (i) the optimal lengths of the DANTE train and the individual pulses, (ii) the robustness of these experiments to offset, and (iii) the optimal choice of the defocusing and refocusing times for both 1H-{I} J- and D-HMQC sequences for 195Pt (I = 1/2) and 14N (I = 1) nuclei subject to large CSA and quadrupole interaction, respectively. These simulations are compared to 1H-{14N} D-HMQC experiments on γ-glycine and L-histidine.HCl at B0 = 18.8 T and MAS frequency of 62.5 kHz. The present study shows that (i) the optimal defocusing and refocusing times do not depend on the chosen DANTE scheme, (ii) the DANTE trains must be applied with the highest rf-field compatible with the probe specifications and the stability of the sample, (iii) the excitation bandwidth along the indirect dimension of HMQC sequence using DANTE trains is inversely proportional to their length, (iv) interleaved DANTE trains increase the excitation bandwidth of these sequences, and (v) dephasing under residual 1H–1H and 1H-I dipolar couplings, as well as 14N second-order quadrupole interaction, during the length of the DANTE scheme attenuate the transfer efficiency.Lire moins >
Lire la suite >We analyze the performances and the optimization of 1H-{I} HMQC experiments using basic and interleaved DANTE schemes for the indirect detection of nuclei I = 1/2 or 1 exhibiting wide lines dominated by chemical shift anisotropy (CSA) or quadrupole interaction, respectively. These sequences are first described using average Hamiltonian theory. Then, we analyze using numerical simulations (i) the optimal lengths of the DANTE train and the individual pulses, (ii) the robustness of these experiments to offset, and (iii) the optimal choice of the defocusing and refocusing times for both 1H-{I} J- and D-HMQC sequences for 195Pt (I = 1/2) and 14N (I = 1) nuclei subject to large CSA and quadrupole interaction, respectively. These simulations are compared to 1H-{14N} D-HMQC experiments on γ-glycine and L-histidine.HCl at B0 = 18.8 T and MAS frequency of 62.5 kHz. The present study shows that (i) the optimal defocusing and refocusing times do not depend on the chosen DANTE scheme, (ii) the DANTE trains must be applied with the highest rf-field compatible with the probe specifications and the stability of the sample, (iii) the excitation bandwidth along the indirect dimension of HMQC sequence using DANTE trains is inversely proportional to their length, (iv) interleaved DANTE trains increase the excitation bandwidth of these sequences, and (v) dephasing under residual 1H–1H and 1H-I dipolar couplings, as well as 14N second-order quadrupole interaction, during the length of the DANTE scheme attenuate the transfer efficiency.Lire moins >
Langue :
Anglais
Audience :
Internationale
Vulgarisation :
Non
Autre(s) projet(s) ou source(s) de financement :
Chevreul Institute (FR 2638)
Ministère de l’Education Nationale de l’Enseignement Supérieur et de la Recherche
Région Hauts de France
FEDER
CortecNet
CEFIPRA No. 85208-E
PRC CNRS-NSFC
Institut universitaire de France
National Natural Science Foundation of China (21522303, 21703068)
China Postdoctoral Science Foundation (2017M611491)
China Scholarship Council
Ministère de l’Education Nationale de l’Enseignement Supérieur et de la Recherche
Région Hauts de France
FEDER
CortecNet
CEFIPRA No. 85208-E
PRC CNRS-NSFC
Institut universitaire de France
National Natural Science Foundation of China (21522303, 21703068)
China Postdoctoral Science Foundation (2017M611491)
China Scholarship Council
Établissement(s) :
Université de Lille
CNRS
Centrale Lille
ENSCL
Univ. Artois
CNRS
Centrale Lille
ENSCL
Univ. Artois
Collections :
Équipe(s) de recherche :
RMN et matériaux inorganiques (RM2I)
Date de dépôt :
2023-05-30T16:02:11Z
2023-11-22T13:34:39Z
2023-11-22T13:34:39Z
Fichiers
- DANTE-HMQC_post-print.pdf
- Version finale acceptée pour publication (postprint)
- Accès libre
- Accéder au document