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@ARTICLE{Kipura:291925,
      author       = {T. Kipura and M. Hotze and A. Hofer and A.-S. Egger and L.
                      E. Timpen and C. Opitz$^*$ and P. A. Townsend and L. A.
                      Gethings and K. Thedieck and M. Kwiatkowski},
      title        = {{A}utomated {L}iquid {H}andling {E}xtraction and {R}apid
                      {Q}uantification of {U}nderivatized {A}mino {A}cids and
                      {T}ryptophan {M}etabolites from {H}uman {S}erum and {P}lasma
                      {U}sing {D}ual-{C}olumn {U}({H}){PLC}-{MRM}-{MS} and {I}ts
                      {A}pplication to {P}rostate {C}ancer {S}tudy.},
      journal      = {Metabolites},
      volume       = {14},
      number       = {7},
      issn         = {2218-1989},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {DKFZ-2024-01537},
      pages        = {370},
      year         = {2024},
      abstract     = {Amino acids (AAs) and their metabolites are important
                      building blocks, energy sources, and signaling molecules
                      associated with various pathological phenotypes. The
                      quantification of AA and tryptophan (TRP) metabolites in
                      human serum and plasma is therefore of great diagnostic
                      interest. Therefore, robust, reproducible sample extraction
                      and processing workflows as well as rapid, sensitive
                      absolute quantification are required to identify candidate
                      biomarkers and to improve screening methods. We developed a
                      validated semi-automated robotic liquid extraction and
                      processing workflow and a rapid method for absolute
                      quantification of 20 free, underivatized AAs and six TRP
                      metabolites using dual-column U(H)PLC-MRM-MS. The extraction
                      and sample preparation workflow in a 96-well plate was
                      optimized for robust, reproducible high sample throughput
                      allowing for transfer of samples to the U(H)PLC autosampler
                      directly without additional cleanup steps. The
                      U(H)PLC-MRM-MS method, using a mixed-mode reversed-phase
                      anion exchange column with formic acid and a high-strength
                      silica reversed-phase column with difluoro-acetic acid as
                      mobile phase additive, provided absolute quantification with
                      nanomolar lower limits of quantification within 7.9 min. The
                      semi-automated extraction workflow and dual-column
                      U(H)PLC-MRM-MS method was applied to a human prostate cancer
                      study and was shown to discriminate between treatment
                      regimens and to identify metabolites responsible for
                      discriminating between healthy controls and patients on
                      active surveillance.},
      keywords     = {LC-MS (Other) / amino acids (Other) / automation (Other) /
                      mixed-mode chromatography (Other) / prostate cancer (Other)
                      / tryptophan metabolites analysis (Other)},
      cin          = {B350 / HD01},
      ddc          = {540},
      cid          = {I:(DE-He78)B350-20160331 / I:(DE-He78)HD01-20160331},
      pnm          = {312 - Funktionelle und strukturelle Genomforschung
                      (POF4-312)},
      pid          = {G:(DE-HGF)POF4-312},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:39057693},
      pmc          = {pmc:PMC11279291},
      doi          = {10.3390/metabo14070370},
      url          = {https://inrepo02.dkfz.de/record/291925},
}