% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Lehmkuhl:890190,
      author       = {Lehmkuhl, Sören and Suefke, Martin and Kentner, Arne and
                      Yen, Yi-Fen and Blümich, Bernhard and Rosen, Matthew S. and
                      Appelt, Stephan and Theis, Thomas},
      title        = {{SABRE} polarized low field rare-spin spectroscopy},
      journal      = {The journal of chemical physics},
      volume       = {152},
      number       = {18},
      issn         = {1089-7690},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {FZJ-2021-00779},
      pages        = {184202 -},
      year         = {2020},
      abstract     = {High-field nuclear magnetic resonance (NMR) spectroscopy is
                      an indispensable technique for identification and
                      characterization of chemicals and biomolecular structures.
                      In the vast majority of NMR experiments, nuclear spin
                      polarization arises from thermalization in multi-Tesla
                      magnetic fields produced by superconducting magnets. In
                      contrast, NMR instruments operating at low magnetic fields
                      are emerging as a compact, inexpensive, and highly
                      accessible alternative but suffer from low thermal
                      polarization at a low field strength and consequently a low
                      signal. However, certain hyperpolarization techniques create
                      high polarization levels on target molecules independent of
                      magnetic fields, giving low-field NMR a significant
                      sensitivity boost. In this study, SABRE (Signal
                      Amplification By Reversible Exchange) was combined with high
                      homogeneity electromagnets operating at mT fields, enabling
                      high resolution 1H, 13C, 15N, and 19F spectra to be detected
                      with a single scan at magnetic fields between 1 mT and 10
                      mT. Chemical specificity is attained at mT magnetic fields
                      with complex, highly resolved spectra. Most spectra are in
                      the strong coupling regime where J-couplings are on the
                      order of chemical shift differences. The spectra and the
                      hyperpolarization spin dynamics are simulated with SPINACH.
                      The simulations start from the parahydrogen singlet in the
                      bound complex and include both chemical exchange and spin
                      evolution at these mT fields. The simulations qualitatively
                      match the experimental spectra and are used to identify the
                      spin order terms formed during mT SABRE. The combination of
                      low field NMR instruments with SABRE polarization results in
                      sensitive measurements, even for rare spins with low
                      gyromagnetic ratios at low magnetic fields.I. INTRODUCTION},
      cin          = {ZEA-2 / IEK-9},
      ddc          = {530},
      cid          = {I:(DE-Juel1)ZEA-2-20090406 / I:(DE-Juel1)IEK-9-20110218},
      pnm          = {131 - Electrochemical Storage (POF3-131)},
      pid          = {G:(DE-HGF)POF3-131},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {32414242},
      UT           = {WOS:000536240300002},
      doi          = {10.1063/5.0002412},
      url          = {https://juser.fz-juelich.de/record/890190},
}