Selective excitation doubles the transfer of parahydrogen-induced polarization to heteronuclei

In this work, we present a new pulse sequence to transform the spin order added to a molecule after the pairwise addition of parahydrogen into 13 C polarization. Using a selective 90° preparation instead of a non-selective 45° excitation, the new variant performed twice as well as previous implement...

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Published inPhysical chemistry chemical physics : PCCP Vol. 23; no. 26; pp. 14146 - 1415
Main Authors Pravdivtsev, Andrey N, Ellermann, Frowin, Hövener, Jan-Bernd
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 07.07.2021
Subjects
Ethyl acetate
Excitation
Induced polarization
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Summary:In this work, we present a new pulse sequence to transform the spin order added to a molecule after the pairwise addition of parahydrogen into 13 C polarization. Using a selective 90° preparation instead of a non-selective 45° excitation, the new variant performed twice as well as previous implementations in both simulations and experiments, exemplified with hyperpolarized ethyl acetate. This concept is expected to extend to other nuclei and other spin order transfer schemes that use non-selective excitation. The selective parahydrogen excitation results in two times higher 13 C polarization.
Bibliography:10.1039/d1cp01891d
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bubbling system performance. Executed Topspin pulse programs (zip) and MOIN spin library for Matlab and scripts to simulate INEPT SOTs (zip). See DOI
Electronic supplementary information (ESI) available: PDF with experimental section, pH
bubbling system with the full list of components, more detailed description of polarization transfer, demonstration of SOTs on three spins systems of hydroxyethyl propionate-d8 and ethyl acetate-d6, quantification of polarization level, and multiplet polarization, relaxation, SOTs. Video (mp4) with a demonstration of pH
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content type line 23
ISSN:1463-9076
1463-9084
DOI:10.1039/d1cp01891d