Detection of pyridine derivatives by SABRE hyperpolarization at zero field

TY - JOUR

T1 - Detection of pyridine derivatives by SABRE hyperpolarization at zero field

AU - Put, Piotr

AU - Alcicek, Seyma

AU - Bondar, Oksana

AU - Bodek, Łukasz

AU - Duckett, Simon

AU - Pustelny, Szymon

N1 - Funding Information: The authors acknowledge support from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement No. 766402. P.P. and S.A. acknowledge the support of a grant from the SciMat Priority Research Area under the Strategic Programme Excellence Initiative at the Jagiellonian University. Publisher Copyright: © 2023, The Author(s).

PY - 2023/6/22

Y1 - 2023/6/22

N2 - Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical tool used in modern 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.

AB - Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical tool used in modern 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.

UR - http://www.scopus.com/inward/record.url?scp=85163034358&partnerID=8YFLogxK

U2 - 10.1038/s42004-023-00928-z

DO - 10.1038/s42004-023-00928-z

M3 - Article

AN - SCOPUS:85163034358

SN - 2399-3669

VL - 6

JO - Communications Chemistry

JF - Communications Chemistry

IS - 1

M1 - 131

ER -