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|a 10.1002/mrc.5145
|2 doi
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|a pubmed24n1073.xml
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|e rakwb
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|a eng
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| 100 |
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|a Altenhof, Adam R
|e verfasserin
|4 aut
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|a Broadband adiabatic inversion cross-polarization to integer-spin nuclei with application to deuterium NMR
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|c 2021
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 09.09.2021
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|a Date Revised 09.09.2021
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2021 John Wiley & Sons, Ltd.
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|a Solid-state NMR (SSNMR) spectroscopy of integer-spin quadrupolar nuclei is important for the molecular-level characterization of a variety of materials and biological solids; of the integer spins, 2 H (S = 1) is by far the most widely studied, due to its usefulness in probing dynamical motions. SSNMR spectra of integer-spin nuclei often feature very broad powder patterns that arise largely from the effects of the first-order quadrupolar interaction; as such, the acquisition of high-quality spectra continues to remain a challenge. The broadband adiabatic inversion cross-polarization (BRAIN-CP) pulse sequence, which is capable of cross-polarization (CP) enhancement over large bandwidths, has found success for the acquisition of SSNMR spectra of integer-spin nuclei, including 14 N (S = 1), especially when coupled with Carr-Purcell/Meiboom-Gill pulse sequences featuring frequency-swept WURST pulses (WURST-CPMG) for T2 -based signal enhancement. However, to date, there has not been a systematic investigation of the spin dynamics underlying BRAIN-CP, nor any concrete theoretical models to aid in its parameterization for applications to integer-spin nuclei. In addition, the BRAIN-CP/WURST-CPMG scheme has not been demonstrated for generalized application to wideline or ultra-wideline (UW) 2 H SSNMR. Herein, we provide a theoretical description of the BRAIN-CP pulse sequence for spin-1/2 → spin-1 CP under static conditions, featuring a set of analytical equations describing Hartmann-Hahn matching conditions and numerical simulations that elucidate a CP mechanism involving polarization transfer, coherence exchange, and adiabatic inversion. Several experimental examples are presented for comparison with theoretical models and previously developed integer-spin CP methods, demonstrating rapid acquisition of 2 H NMR spectra from efficient broadband CP
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|a Journal Article
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|a 2H NMR
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|a deuterium NMR
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4 |
|a pulse sequences
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4 |
|a quadrupolar nuclei
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|a solid-state NMR
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| 700 |
1 |
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|a Wi, Sungsool
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Schurko, Robert W
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 59(2021), 9-10 vom: 01. Sept., Seite 1009-1023
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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| 773 |
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|g volume:59
|g year:2021
|g number:9-10
|g day:01
|g month:09
|g pages:1009-1023
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|u http://dx.doi.org/10.1002/mrc.5145
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