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@ARTICLE{Herr:1032079,
      author       = {Herr, Kevin and Höfler, Mark V. and Heise, Henrike and
                      Aussenac, Fabien and Kornemann, Felix and Rosenberger, David
                      and Brodrecht, Martin and de Oliveira, Marcos and
                      Buntkowsky, Gerd and Gutmann, Torsten},
      title        = {{B}iradicals based on {PROXYL} containing building blocks
                      for efficient dynamic nuclear polarization in biotolerant
                      media},
      journal      = {Journal of magnetic resonance open},
      volume       = {20},
      issn         = {2666-4410},
      address      = {Amsterdam},
      publisher    = {Elsevier},
      reportid     = {FZJ-2024-05982},
      pages        = {100152 -},
      year         = {2024},
      abstract     = {A versatile strategy for synthesizing tailored peptide
                      based biradicals is presented. By labeling the protected
                      amino acid hydroxyproline with PROXYL via the OH
                      functionality and using this building block in solid phase
                      peptide synthesis (SPPS), the obtained peptides become
                      polarization agents for DNP enhanced solid-state NMR in
                      biotolerant media. To analyze the effect of the radical
                      position on the enhancement factor, three different
                      biradicals are synthesized. The PROXYL spin-label is
                      inserted in a collagen inspired artificial peptide sequence
                      by binding through the OH group of the hydroxyproline
                      moieties at specific position in the chain. This labeling
                      strategy is universally applicable for any hydroxyproline
                      position in a peptide sequence since solid-phase peptide
                      synthesis is used to insert the building block. High
                      performance liquid chromatography (HPLC) and mass
                      spectrometry (MS) analyses show the successful introduction
                      of the spin label in the peptide chain and electron
                      paramagnetic resonance (EPR) spectroscopy confirms its
                      activity. Dynamic nuclear polarization (DNP) enhanced
                      solid-state nuclear magnetic resonance (NMR) experiments
                      performed on frozen aqueous glycerol-d8 solutions containing
                      these peptide radicals show significantly higher enhancement
                      factors of up to 45 in 1H→13C cross polarization magic
                      angle spinning (CP MAS) experiments compared to an analogous
                      mono-radical peptide including this building block (ε ≈
                      14). Compared to commercial biradicals such as AMUPol for
                      which enhancement factors > 100 have been obtained in the
                      past and which have been optimized in their structure, the
                      obtained enhancement up to 45 for our biradicals presents a
                      significant progress in radical design.},
      cin          = {IBI-7},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IBI-7-20200312},
      pnm          = {5241 - Molecular Information Processing in Cellular Systems
                      (POF4-524)},
      pid          = {G:(DE-HGF)POF4-5241},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001255177000001},
      doi          = {10.1016/j.jmro.2024.100152},
      url          = {https://juser.fz-juelich.de/record/1032079},
}