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@ARTICLE{Chen:22836,
      author       = {Chen, L. and Hofmann, D. and Klumppp, E. and Xiang, X. and
                      Chen, Y. and Küppers, S.},
      title        = {{B}ottom-up approach for the reaction of xenobiotics and
                      their metabolites with model substances for natural organic
                      matter by electrochemistry-mass spectrometry ({EC}-{MS})},
      journal      = {Chemosphere},
      volume       = {89},
      issn         = {0045-6535},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {PreJuSER-22836},
      pages        = {1376 - 1383},
      year         = {2012},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Risk assessment of xenobiotics requires a comprehensive
                      understanding of their transformation in the environment. As
                      most of the transformation processes usually involve a redox
                      reaction or a hydrolysis as the first steps of the
                      transformation, we applied an approach that uses an
                      electrochemical cell to investigate model "redox" reactions
                      in aqueous solutions for environmental processes. We
                      investigated the degradation of a variety of xenobiotics
                      from polar to nonpolar and analyzed their degradation
                      products by on-line coupling of electrochemistry with mass
                      spectrometry (EC-MS). Furthermore, we evaluated possible
                      binding reactions with regard to the generation of
                      non-extractable residues with some model substances
                      (catechol, phthalic acid, γ-l-Glutamyl-l-cysteinyl-glycine
                      (GSH) and l-histidine) deduced from a natural organic matter
                      (NOM) structure model and identified possible binding-sites.
                      Whereas typically investigations in soil/water-systems have
                      been applied, we used to our knowledge for the first time a
                      bottom-up approach, starting from the chemicals of interest
                      and different model substances for natural organic matter to
                      evaluate chemical binding mechanisms (or processes) in the
                      EC-MS under redox conditions. Under oxidative conditions,
                      bindings of the xenobiotics with catechol, GSH and histidine
                      were found, but no reactions with the model compound
                      phthalic acid were observed. In general, no chemical binding
                      has yet been found under reductive conditions. In some cases
                      (i.e. benzo[a]anthracene) the oxidation product only
                      underwent a binding reaction, whereas the xenobiotic itself
                      did not undergo any reactions. EC-MS is a promising fast and
                      simple screening method to investigate the environmental
                      behavior of xenobiotics and to evaluate the potential risks
                      of newly synthesized substances.},
      cin          = {ZCH / IBG-3},
      ddc          = {333.7},
      cid          = {I:(DE-Juel1)ZCH-20090406 / I:(DE-Juel1)IBG-3-20101118},
      pnm          = {Terrestrische Umwelt},
      pid          = {G:(DE-Juel1)FUEK407},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:22819944},
      UT           = {WOS:000310112600016},
      doi          = {10.1016/j.chemosphere.2012.05.105},
      url          = {https://juser.fz-juelich.de/record/22836},
}