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@ARTICLE{Adelabu:306517,
      author       = {I. Adelabu and J. Gyesi and M. R. H. Chowdhury and C.
                      Oladun and S. Nantogma and G. Foren and A. Samoilenko and J.
                      Ettedgui and R. E. Swenson and M. C. Krishna and P. TomHon
                      and T. Theis and H. de Maissin and A. Schmidt$^*$ and B. M.
                      Goodson and S. Scofield and L. Stilgenbauer and M.
                      Sadagurski and E. Y. Chekmenev},
      title        = {{M}ultidimensional p{H}-{T}emperature {M}apping of
                      {SABRE}-{SHEATH} 13{C} {H}yperpolarization of
                      [1-13{C}]{P}yruvate.},
      journal      = {The journal of physical chemistry / B},
      volume       = {nn},
      issn         = {1520-6106},
      address      = {Washington, DC},
      publisher    = {Americal Chemical Society},
      reportid     = {DKFZ-2025-02582},
      pages        = {nn},
      year         = {2025},
      note         = {epub},
      abstract     = {Hyperpolarized [1-13C]pyruvate has emerged as a
                      next-generation molecular probe for in vivo metabolic flux
                      imaging in deep tissue. This molecular contrast agent is now
                      under evaluation in over 50 clinical trials, according to
                      clinicaltrials.gov. Hyperpolarized [1-13C]pyruvate is
                      produced through dissolution dynamic nuclear polarization
                      (d-DNP) for clinical research use. This remarkable
                      hyperpolarization technique is regarded as expensive (>2 M
                      equipment cost) and slow (1 h production). One alternative
                      hyperpolarization technique called Signal Amplification By
                      Reversible Exchange (SABRE) in SHield Enables Alignment
                      Transfer to Heteronuclei (SABRE-SHEATH) has recently
                      garnered substantial attention for production of
                      hyperpolarized [1-13C]pyruvate quickly (in 1 min) and
                      inexpensively (<$20K equipment). It has been successfully
                      demonstrated in vivo for metabolic imaging of cancer. This
                      technique relies on the simultaneous chemical exchange of
                      parahydrogen, acting as a source of nuclear spin order, and
                      [1-13C]pyruvate on a Ir-IMes polarization transfer catalyst
                      at ∼0.4 μm magnetic field. The SABRE catalyst forms two
                      kinds of complexes with parahydrogen-derived hydrides,
                      pyruvate, and dimethyl sulfoxide, acting as a critically
                      important coligand; however, only the complex that binds
                      pyruvate in an equatorial position can release
                      hyperpolarized [1-13C]pyruvate into the solution to enable
                      bulk HP [1-13C]pyruvate production for use in molecular
                      imaging and other applications. Here, we investigate the
                      interplay of pH and temperature with the SABRE-SHEATH
                      hyperpolarization of [1-13C]pyruvate. Temperature and pH
                      modulate this process in remarkable and complementary ways,
                      greatly affecting pyruvate exchange and 13C relaxation
                      dynamics. The overall process is optimal at pH (methanol) of
                      6.5-7.7 and a temperature of 6 °C: indeed, the
                      catalyst-bound pyruvate exhibits high 13C polarization
                      levels in excess of 25\%. The 13C polarization results are
                      additionally supported by 13C relaxation dynamics at a
                      polarization field of 0.4 microtesla. These results provide
                      deeper understanding of the SABRE-SHEATH process and pave
                      the way to further improve the efficiency of the
                      hyperpolarization technique.},
      cin          = {FR01},
      ddc          = {530},
      cid          = {I:(DE-He78)FR01-20160331},
      pnm          = {899 - ohne Topic (POF4-899)},
      pid          = {G:(DE-HGF)POF4-899},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:41273337},
      doi          = {10.1021/acs.jpcb.5c05015},
      url          = {https://inrepo02.dkfz.de/record/306517},
}