Detection of pyridine derivatives by SABRE hyperpolarization at zero field

2023
journal article
article
9
dc.abstract.enNuclear magnetic resonance (NMR) spectroscopy is a powerful analytical tool used in mo dern science and technology. Its novel incarnation, based on measurements of NMR signals without external magnetic fields, provides direct access to intramolecular interactions based on heteronuclear scalar J-coupling. The uniqueness of these interactions makes each zero-field NMR spectrum distinct and useful in chemical fingerprinting. However, the necessity of heteronuclear coupling often results in weak signals due to the low abundance of certain nuclei (e.g., 15N). Hyperpolarization of such compounds may solve the problem. In this work, we investigate molecules with natural isotopic abundance that are polarized using non-hydrogenative parahydrogen-induced polarization. We demonstrate that spectra of hyperpolarized naturally abundant pyridine derivatives can be observed and uniquely identified whether the same substituent is placed at a different position of the pyridine ring or different constituents are placed at the same position. To do so, we constructed an experimental system using a home-built nitrogen vapor condenser, which allows for consistent long-term measurements, crucial for identifying naturally abundant hyperpolarized molecules at a concentration level of ~1 mM. This opens avenues for future chemical detection of naturally abundant compounds using zero-field NMR.pl
dc.affiliationWydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiegopl
dc.contributor.authorPut, Piotr - 217691 pl
dc.contributor.authorAlçiçek, Şeyma - 410427 pl
dc.contributor.authorBondar, Oksanapl
dc.contributor.authorBodek, Łukasz - 201858 pl
dc.contributor.authorDuckett, Simonpl
dc.contributor.authorPustelny, Szymon - 102458 pl
dc.date.accessioned2023-06-29T11:35:18Z
dc.date.available2023-06-29T11:35:18Z
dc.date.issued2023pl
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.versionostateczna wersja wydawcy
dc.description.volume6pl
dc.identifier.articleid131pl
dc.identifier.doi10.1038/s42004-023-00928-zpl
dc.identifier.eissn2399-3669pl
dc.identifier.urihttps://ruj.uj.edu.pl/xmlui/handle/item/313158
dc.languageengpl
dc.language.containerengpl
dc.rightsUdzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa*
dc.rights.licenceCC-BY
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/legalcode.pl*
dc.share.typeotwarte czasopismo
dc.subtypeArticlepl
dc.titleDetection of pyridine derivatives by SABRE hyperpolarization at zero fieldpl
dc.title.journalCommunications Chemistrypl
dc.typeJournalArticlepl
dspace.entity.typePublication
dc.abstract.enpl
Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical tool used in mo dern science and technology. Its novel incarnation, based on measurements of NMR signals without external magnetic fields, provides direct access to intramolecular interactions based on heteronuclear scalar J-coupling. The uniqueness of these interactions makes each zero-field NMR spectrum distinct and useful in chemical fingerprinting. However, the necessity of heteronuclear coupling often results in weak signals due to the low abundance of certain nuclei (e.g., 15N). Hyperpolarization of such compounds may solve the problem. In this work, we investigate molecules with natural isotopic abundance that are polarized using non-hydrogenative parahydrogen-induced polarization. We demonstrate that spectra of hyperpolarized naturally abundant pyridine derivatives can be observed and uniquely identified whether the same substituent is placed at a different position of the pyridine ring or different constituents are placed at the same position. To do so, we constructed an experimental system using a home-built nitrogen vapor condenser, which allows for consistent long-term measurements, crucial for identifying naturally abundant hyperpolarized molecules at a concentration level of ~1 mM. This opens avenues for future chemical detection of naturally abundant compounds using zero-field NMR.
dc.affiliationpl
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego
dc.contributor.authorpl
Put, Piotr - 217691
dc.contributor.authorpl
Alçiçek, Şeyma - 410427
dc.contributor.authorpl
Bondar, Oksana
dc.contributor.authorpl
Bodek, Łukasz - 201858
dc.contributor.authorpl
Duckett, Simon
dc.contributor.authorpl
Pustelny, Szymon - 102458
dc.date.accessioned
2023-06-29T11:35:18Z
dc.date.available
2023-06-29T11:35:18Z
dc.date.issuedpl
2023
dc.date.openaccess
0
dc.description.accesstime
w momencie opublikowania
dc.description.version
ostateczna wersja wydawcy
dc.description.volumepl
6
dc.identifier.articleidpl
131
dc.identifier.doipl
10.1038/s42004-023-00928-z
dc.identifier.eissnpl
2399-3669
dc.identifier.uri
https://ruj.uj.edu.pl/xmlui/handle/item/313158
dc.languagepl
eng
dc.language.containerpl
eng
dc.rights*
Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licence
CC-BY
dc.rights.uri*
http://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.type
otwarte czasopismo
dc.subtypepl
Article
dc.titlepl
Detection of pyridine derivatives by SABRE hyperpolarization at zero field
dc.title.journalpl
Communications Chemistry
dc.typepl
JournalArticle
dspace.entity.type
Publication
Affiliations

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