Reconstructing reliable powder patterns from spikelets (Q)CPMG NMR spectra: simplification of UWNMR crystallography analysis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F21%3A00546356" target="_blank" >RIV/61389013:_____/21:00546356 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/21:00546356 RIV/00216208:11310/21:10438570
Result on the web
<a href="https://www.mdpi.com/1420-3049/26/19/6051" target="_blank" >https://www.mdpi.com/1420-3049/26/19/6051</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/molecules26196051" target="_blank" >10.3390/molecules26196051</a>
Alternative languages
Result language
angličtina
Original language name
Reconstructing reliable powder patterns from spikelets (Q)CPMG NMR spectra: simplification of UWNMR crystallography analysis
Original language description
Spikelets NMR spectra are very popular as they enable the shortening of experimental time and give the possibility to obtain required NMR parameters for nuclei with ultrawide NMR patterns. Unfortunately, these resulted ssNMR spectra cannot be fitted directly in common software. For this reason, we developed UWNMRSpectralShape (USS) software which transforms spikelets NMR patterns into single continuous lines. Subsequently, these reconstructed spectral envelopes of the (Q)CPMG spikelets patterns can be loaded into common NMR software and automatically fitted, independently of experimental settings. This allows the quadrupole and chemical shift parameters to be accurately determined. Moreover, it makes fitting of spikelets NMR spectra exact, fast and straightforward.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
<a href="/en/project/GA19-05259S" target="_blank" >GA19-05259S: Combining advanced ultra-wideline ssNMR spectroscopy with XRPD and Computational Chemistry to study organo-metallic and frameworks materials</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Molecules
ISSN
1420-3049
e-ISSN
1420-3049
Volume of the periodical
26
Issue of the periodical within the volume
19
Country of publishing house
CH - SWITZERLAND
Number of pages
15
Pages from-to
6051
UT code for WoS article
000710678200001
EID of the result in the Scopus database
2-s2.0-85117050233