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@ARTICLE{Sittig:22934,
      author       = {Sittig, S. and Kasteel, R. and Groeneweg, J. and Vereecken,
                      H.},
      title        = {{L}ong-{T}erm {S}orption and {S}equestration {D}ynamics of
                      the {A}ntibiotic {S}ulfadiazine: {A} {B}atch {S}tudy},
      journal      = {Journal of environmental quality},
      volume       = {41},
      issn         = {0047-2425},
      address      = {Madison, Wis.},
      publisher    = {ASA [u.a.]},
      reportid     = {PreJuSER-22934},
      pages        = {1497 -1 506},
      year         = {2012},
      note         = {We would like to thank the German Research Foundation (DFG)
                      for financial support (FOR 566), Bayer HealthCare
                      (Wuppertal, Germany) for providing the radiolabeled
                      sulfadiazine, and the Division of Soil Science (INRES) at
                      the University of Bonn for analyzing the soil textures.
                      Furthermore, we would like to acknowledge contributions made
                      by Stephan Koppchen, who performed the Radio-HPLC
                      measurements, as well as Max Gotta and Katharina Nobis, who
                      provided laboratory support.},
      abstract     = {Understanding the long-term sequestration of veterinary
                      antibiotics into soil fractions with different
                      bioavailability is important in terms of assessing their
                      eco-toxicological impact. We performed 60-d batch sorption
                      experiments with radiolabeled sulfadiazine (SDZ) using
                      samples from two agricultural soils. Sequential extraction
                      with CaCl/MeOH (easily accessible fraction), microwave
                      (residual fraction, RES), and combustion (nonextractable
                      residues, NER) was used to quantify the sequestration
                      dynamics of the C-derived SDZ-equivalent concentration.
                      Multiple harsh extractions allowed us to mathematically
                      extrapolate to the amount of SDZ equivalents that can be
                      potentially extracted, resulting in halving the NER fraction
                      after 60 d. A modified two-stage model with irreversible
                      sorption combined with global parameter optimization was
                      able to display the sequestration dynamics. We demonstrated
                      this with sterilized samples in which no transformation of
                      the parent compound was observed. This also showed that
                      transformation was primarily biologically driven. These
                      modeling results verified the procedure, which was then
                      applied to nontreated samples from both soils to estimate
                      effective parameter values for SDZ-derived equivalents.
                      Observed initial sorption, to which up to $20\%$ of the
                      kinetic sorption sites attributed, was included in the
                      model. Both the RES and NER fractions reached a sorption
                      plateau, with NER occupying about $30\%$ of the kinetic
                      fraction (RES+NER) for all soils. The sorption and
                      sequestration of SDZ were soil-specific and dominated by
                      kinetics. Sequestration in the RES fraction was much slower
                      (characteristic time: 60 d) than the redistribution in the
                      NER fraction (characteristic time: <6 d). The work presented
                      here contributes to the prediction of the dynamics of
                      (bio-)availability.},
      keywords     = {J (WoSType)},
      cin          = {IBG-3},
      ddc          = {333.7},
      cid          = {I:(DE-Juel1)IBG-3-20101118},
      pnm          = {Terrestrische Umwelt},
      pid          = {G:(DE-Juel1)FUEK407},
      shelfmark    = {Environmental Sciences},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:23099941},
      UT           = {WOS:000308931700016},
      doi          = {10.2134/jeq2011.0467},
      url          = {https://juser.fz-juelich.de/record/22934},
}