Research output: Contribution to journal › Article › peer-review
Total Correlation Spectroscopy across All NMR-Active Nuclei by Mixing at Zero Field. / Zhukov, Ivan V.; Kiryutin, Alexey S.; Ferrage, Fabien et al.
In: The journal of physical chemistry letters, Vol. 11, No. 17, 03.09.2020, p. 7291-7296.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Total Correlation Spectroscopy across All NMR-Active Nuclei by Mixing at Zero Field
AU - Zhukov, Ivan V.
AU - Kiryutin, Alexey S.
AU - Ferrage, Fabien
AU - Buntkowsky, Gerd
AU - Yurkovskaya, Alexandra V.
AU - Ivanov, Konstantin L.
N1 - Publisher Copyright: Copyright © 2020 American Chemical Society. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/9/3
Y1 - 2020/9/3
N2 - Multidimensional nuclear magnetic resonance (NMR) is based on a combination of well-established building blocks for polarization transfer. These blocks are used to design correlation experiments through one or a few chemical bonds or through space. Here, we introduce a building block that enables polarization transfer across all NMR-active nuclei in a coupled network of spins: isotropic mixing at zero and ultralow field (ZULF). Exploiting mixing under ZULF-NMR conditions, heteronuclear TOtal Correlation SpectroscopY (TOCSY) experiments were developed to highlight coupled spin networks. We demonstrate 1H-13C and 1H-15N correlations in ZULF-TOCSY spectra of labeled amino acids, which allow one to obtain cross-peaks among all heteronuclei belonging to the same coupled network, even when the direct interaction between them is negligible. We also demonstrate the potential of ZULF-TOCSY to analyze complex mixtures on a growth medium of isotope-labeled biomolecules. ZULF-TOCSY enables the quick identification of individual compounds in the mixture by their coupled spin networks. The ZULF-TOCSY method will lead to the development of a new toolbox of experiments to analyze complex mixtures by NMR.
AB - Multidimensional nuclear magnetic resonance (NMR) is based on a combination of well-established building blocks for polarization transfer. These blocks are used to design correlation experiments through one or a few chemical bonds or through space. Here, we introduce a building block that enables polarization transfer across all NMR-active nuclei in a coupled network of spins: isotropic mixing at zero and ultralow field (ZULF). Exploiting mixing under ZULF-NMR conditions, heteronuclear TOtal Correlation SpectroscopY (TOCSY) experiments were developed to highlight coupled spin networks. We demonstrate 1H-13C and 1H-15N correlations in ZULF-TOCSY spectra of labeled amino acids, which allow one to obtain cross-peaks among all heteronuclei belonging to the same coupled network, even when the direct interaction between them is negligible. We also demonstrate the potential of ZULF-TOCSY to analyze complex mixtures on a growth medium of isotope-labeled biomolecules. ZULF-TOCSY enables the quick identification of individual compounds in the mixture by their coupled spin networks. The ZULF-TOCSY method will lead to the development of a new toolbox of experiments to analyze complex mixtures by NMR.
KW - SENSITIVITY-ENHANCED DETECTION
KW - MAGNETIC-RESONANCE
KW - HYDROGEN-BONDS
KW - SPECTRA
KW - RELAXATION
KW - COHERENCE
KW - NETWORKS
KW - C-13
KW - H-1
UR - http://www.scopus.com/inward/record.url?scp=85090280809&partnerID=8YFLogxK
U2 - 10.1021/acs.jpclett.0c02032
DO - 10.1021/acs.jpclett.0c02032
M3 - Article
C2 - 32787308
AN - SCOPUS:85090280809
VL - 11
SP - 7291
EP - 7296
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
SN - 1948-7185
IS - 17
ER -
ID: 25286983