Skip to main content
SpringerLink
Log in

Thermodynamische Modelle für die Bioverfügbarkeit und Bioakkumulation organischer Chemikalien

  • Originalarbeiten
  • Published:
Umweltwissenschaften und Schadstoff-Forschung Submit manuscript

Zusammenfassung

In aquatischen Systemen wird die Bioverfügbarkeit neutraler organischer Fremdstoffe durch Sorptionsprozesse mit organischen Matrizes in gelöster, kolloidaler oder partikulärer Form und ggf. durch das Ausmaß der Dissoziation oder Protonierung bestimmt. Die Annahme konkurrierender thermodynamischer Gleichgewichte liefert eine einfache quantitative Beschreibung des Zusammenhangs zwischen dem Gesamtgehalt einer Verbinding und dem im Wasser frei gelösten Stoffanteil, der in erster Näherung häufig mit dem bioverfügbaren Anteil gleichgesetzt wird. Thermodynamische Überlegungen führen zum Lipophilie-Modell für die Biokonzentration von im Wasser gelösten Fremdstoffen, und die Einbeziehung der Sorption am Sediment als weiterem Verteilungsprozeß gestattet eine mechanistische Interpretation der Bioakkumulation in benthischen Organismen im Sinne einer Biokonzentration aus dem Porenwasser. Für organische Säuren und Basen zeigen neuere Befunde, daß ionische Stoffanteile über Prozesse der Ionenpaarbildung mit anorganischen Spezies sowie über spezifische Wechselwirkungen mit endogenen Makromolekülen Möglichkeiten einer erheblichen Steigerung ihrer Bioverfügbarkeit haben.

Abstract

In aquatic systems, the bioavailability of neutral organic xenobioties is goverened by sorption processes with dissolved, colloidal and particulate organic matrices, and in case of ionogenic compounds also by the degree of dissociation or protonation. The assumption of competitive thermodynamic equilibria yields a simple quantitative characterization of the relationship between the total content of a compound and its freely dissolved fraction in aqueous solution. To a first order, the latter is often assumed to be identical with the bioavailable portion of the compound. Thermodynamic considerations lead to the lipophilicity model for the bioconcentration of chemicals dissolved in water, and inclusion of the sorption to sediments as further partitioning process allows a mechanistic interpretation of the bioaccumulation in benthic organisms in terms of a bioconcentration from the interstitial water. For organic acids and bases, recent investigations indicate that the bioavailability of ionic compound portions may be substantially increased by ion pair formation with inorganic species as well as by specific interactions with endogenous macromolecules.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Literatur

  • Banerjee, S.;Baughman, G.L., 1991: Bioconcentration factors and lipid solubility. Environ. Sci. Technol. 25, 536–539

    Article  CAS  Google Scholar 

  • Bierman, V.J., 1990: Equilibrium partitioning and biomagnification of organic chemicals in benthic animals. Environ. Sci. Technol. 24, 1407–1412

    Article  CAS  Google Scholar 

  • Bruggeman, W.A., 1982: Hydrophobic interactions in the aquatic environment. In: Hutzinger O (ed) The Handbook of Environmental Chemistry. Volume 2, Part B, Reactions and Processes. Springer-Verlag, Berlin Heidelberg, pp. 83–102

    Google Scholar 

  • Bruggeman, W.A.;Opperhuizen, A.;Wijbenga, A.;Hutzinger, O., 1984: Bioaccumulation of super-lipophilic chemicals in fish. Toxicol. Environ. Chem., 7, 173–189

    Article  CAS  Google Scholar 

  • Butte, W.;Willig, A.;Zauke, G.-P., 1987: Bioaccumulation of phenols in zebrafish determined by a dynamic flow through test. In: Kaiser KLE (ed) QSAR in Environmental Toxicology — II. D. Reidel, Dordrecht (NL), pp. 43–53

    Google Scholar 

  • Chessells, M.;Hawker, D.W.;Connell, D.W., 1992: Influence of solubility in lipid on bioconcentration of hydrophobic compounds. Ecotoxicol. Environ. Saf. 23, 260–273

    Article  CAS  Google Scholar 

  • Connell, D.W., 1988: Bioaccumulation behaviour of persistent organic chemicals with aquatic organisms. Rev. Environ. Contam. Toxicol. 101: 117–154

    Google Scholar 

  • Connell, D.W., 1990: Bioaccumulation of xenobiotic compounds. CRC, Boca Raton, FL, USA

    Google Scholar 

  • Davis, R.P.;Dobbs, A.J., 1984: The prediction of bioconcentration in fish. Wat. Res. 18: 1253–1262

    Article  Google Scholar 

  • Deneer, J.W.;Sinnige, T.L.;Seinen, W.;Hermens, J.L.M., 1987: Quantitative structure-activity relationships for the toxicity and bioconcentration factor of nitrobenzene derivatives towards the guppy. Aquat. Toxicol. 10, 115–129

    Article  CAS  Google Scholar 

  • Ernst, W., 1985: Accumulation in aquatic organisms. In: Sheehan P, Korte F, Klein W, Bourdeau Ph (eds) Appraisal of tests to predict the environmental behaviour of chemicals. SCOPE (Scientific Committee on Problems of the Environment) 25, John Wiley, Chichester, UK, pp. 243–255

    Google Scholar 

  • Escher, B.I.;Schwarzenbach, R.P., 1996: Partitioning of substituted phenols in liposome-water, biomembrane-water, and octanol/water systems. Environ. Sci. Technol. 30, 260–270

    Article  CAS  Google Scholar 

  • Esser, H.O., 1986: A review of the correlation between physicochemical properties and bioaccumulation. Pestic. Sci. 17, 265–276

    Article  CAS  Google Scholar 

  • Ferraro, S.P.;Lee II,H.;Ozretich, R.J.;Specht, D.T., 1990: Predicting bioaccumulation potential: a fugacity-based model. Arch. Environ. Contam. Toxicol. 19, 386–394

    Article  CAS  Google Scholar 

  • Gobas, F.A.P.C.;Ying, W.;Mackay, D., 1987: Factors determining partitioning of hydrophobic organic chemicals in aquatic organisms. In: Kaiser KLE (ed) QSAR in Environmental Toxicology — II. D. Reidel, Dordrecht, Niederlande, pp. 107–123

    Google Scholar 

  • van den Heuvel, M.R.;McCarty, L.S.;Lanno, R.P.;Hickie, B.E.;Dixon, D.G., 1991: Effect of total body lipid on the toxicity and toxicokinetics of pentachlorophenol in rainbow trout (Oncorhynchus mykiss). Aquat. Toxicol. 20, 235–252

    Article  Google Scholar 

  • Jafvert, C.T.;Westall, J.C.;Grieder, E.;Schwarzenbach, R.P., 1990: Distribution of hydrophobic ionogenic organic compounds between octanol and water: Organic acids. Environ. Sci. Technol. 24, 1795–1803

    Article  CAS  Google Scholar 

  • Johnson, C.A.;Westall, J.C., 1990: Effect of pH and KCl concentration on the octanol-water distribution of methylanilines. Environ. Sci. Technol. 24, 1869–1875

    Article  CAS  Google Scholar 

  • Kasokat, T.;Nagel, R.;Urich, K., 1986: The metabolism of phenol and substituted phenols in zebra fish. Xenobiotica 17, 1215–1221

    Google Scholar 

  • Könemann, H.;van Leeuwen, K., 1980. Toxicokinetics in fish: Accumulation and elimination of six chlorobenzenes by guppies. Chemosphere 9, 3–19

    Article  Google Scholar 

  • Kukkonen, J.;Oikari, A., 1991: Bioavailability of organic pollutants in boreal waters with varying levels of dissolved organic material. Wat. Res. 25, 455–463

    Article  CAS  Google Scholar 

  • Lake, J.L.;Rubinstein, N.I.;Lee II,H.;Lake, C.A.;Heltshe, J.;Pavignano, S., 1990: Equilibrium partitioning and bioaccumulation of sediment-associated contaminants by infaunal organisms. Environ. Toxicol. Chem. 9, 1095–1106

    Article  CAS  Google Scholar 

  • Landrum, P.F.;Reinhold, M.D.;Nihart, S.R.;Eadie, B.J., 1985: Predicting the bioavailability of organic xenobiotics to Pontoporeia hoyi in the presence of humic and fulvic materials and natural dissolved organic matter. Environ. Toxicol. Chem. 4, 459–467

    Article  CAS  Google Scholar 

  • Lhlelund, K.;de Haar, U.;Elster, H.-J.;Karbe, L.;Schwoerbel, I.;Simonis, W. (Hrsg.), 1987: Bioakkumulation in Nahrungsketten. DFG Forschungsbericht, VCH Weinheim

    Google Scholar 

  • Markwell, R.D.;Connell, D.W.;Gabric, A.J., 1989: Bioaccumulation of lipophilic compounds from sediments by oligochaetes. Wat. Res. 23, 1443–1450

    Article  CAS  Google Scholar 

  • Mackay, D., 1982: Correlation of bioconcentration factors. Environ. Sci. Technol. 16: 274–278

    Article  CAS  Google Scholar 

  • McCarthy, J.F., 1983: Role of particulate organic matter on decreasing accumulation of polynuclear aromatic hydrocarbons byDaphnia magna. Arch. Environ. Contam. Toxicol. 12, 559–568

    Article  CAS  Google Scholar 

  • McCarthy, J.F.;Jimenez, B.D.;Barbee, T., 1985: Effect of dissolved humic material on accumulation of polycyclic aromatic hydrocarbons: structure-activity relationships. Aquat. Toxicol. 7, 15–24

    Article  CAS  Google Scholar 

  • McCarty, L.S., 1986: The relationship between aquatic toxicity QSARs and bioconcentration for some organic chemicals. Environ. Toxicol. Chem. 5, 1071–1080

    Article  CAS  Google Scholar 

  • Oliver, B., 1987: Biouptake of chlorinated hydrocarbons from laboratory-spiked and field sediments by oligochaete worms. Environ. Sci. Technol. 21, 785–790

    Article  CAS  Google Scholar 

  • Opperhuizen, A.;Sijm, D.T.H.M., 1990: Bioaccumulation and biotransformation of polychlorinated dibenzo-p-dioxins and dibenzofurans in fish. Environ. Toxicol. Chem. 9, 175–186

    Article  CAS  Google Scholar 

  • Opperhuizen, A.;van der Velde, E.W.;Gobas, F.A.P.C.;Liem, D.A.K.;van der Steen, J.M.D.;Hutzinger, O., 1985: Relationship between bioconcentration in fish and steric factors of hydrophobic chemicals. Chemosphere 14, 1871–1896

    Article  CAS  Google Scholar 

  • Rao, P.S.C.;Davidson, J.M., 1980: Estimation of pesticide retention and transformation parameters required in nonpoint source pollution models. In: Overcash MR, Davidson, JM (eds) Environmental Impact of Nonpoint Source Pollution. Ann Arbor Science, Ann Arbor, Michigan, USA, pp. 23–67

    Google Scholar 

  • Roberts, J.R.;McGarrity, J.T., 1985: Modelling of biotic uptake. In: Sheehan, P, Korte, F, Klein, W, Bourdeau Ph (eds) Appraisal of tests to predict the environmental behaviour of chemicals. SCOPE (Scientific Committee on Problems of the Environment) 25, John Wiley, Chichester, UK, pp. 233–241

    Google Scholar 

  • Saarikoski, J.;Viluksela, M., 1982: Relation between physicochemical properties of phenols and their toxicity and accumulation in fish. Ecotoxicol. Environ. Saf. 6, 501–512

    Article  CAS  Google Scholar 

  • Schrap, S.M.;Opperhuizen, A., 1990: Relationship between bioavailability and hydrophobicity: Reduction of the uptake of organic chemicals by fish due to the sorption on particles. Environ. Toxicol. Chem. 9, 715–724

    Article  CAS  Google Scholar 

  • Schüürmann, G., 1997: Thermodynamische Modelle für die Bioverfügbarkeit organischer Chemikalien. UWSF — Z. Umweltchem. Ökotox. 9, 3–5

    Google Scholar 

  • Schüürmann, G., 1998: Ecotoxic modes of action of chemical substances. In: Schüürmann G, Markert B (eds) Ecotoxicology. John Wiley & Spektrum Akademischer Verlag, pp. 665–749

  • Schüürmann, G.;Klein, W., 1988: Advances in bioconcentration prediction. Chemosphere 17, 1551–1574

    Article  Google Scholar 

  • Schüürmann, G.;Marsmann, M., 1991: QSAR-Modelle — Interpretation und Prognose der Biokonzentration und aquatischen Toxizität. UWSF — Z. Umweltchem. Ökotox. 3, 42–47

    Google Scholar 

  • Schüürmann, G.;Segner, H., 1994: Wirkungsforschung in der Chemischen Ökotoxikologie. UWSF — Z. Umweltchem. Ökotox. 6, 351–358

    Google Scholar 

  • Schüürmann, G.;Somashekar, R.K.;Kristen, U., 1996: Structure-activity relationships for chloro- and nitrophenol toxicity in the pollen tube growth test. Environ. Toxicol. Chem. 15, 1702–1708

    Article  Google Scholar 

  • Servos, M.R.;Muir, D.C.G.;Webster, G.R.B., 1989: The effect of dissolved organic matter on the bioavailability of polychlorinated dibenzo-p-dioxins. Aquat. Toxicol. 14, 169–184

    Article  CAS  Google Scholar 

  • Smejtek, P.;Wang, S., 1993: Distribution of hydrophobic ionizable xenobiotics between water and lipid membranes: Pentachlorophenol and pentachlorophenolate. A comparison with octanol/water partition. Arch. Environ. Contam. Toxicol. 25, 394–404

    Article  CAS  Google Scholar 

  • Smith, A.D.;Bharath, A.;Mallard, C.;Orr, D.;McCarty, L.S.;Ozburn, G.W., 1990: Bioconcentration kinetics of some chlorinated benzenes and chlorinated phenols in American flagfish,Jordanella floridae (Goode and Bean). Chemosphere 20, 379–386

    Article  CAS  Google Scholar 

  • Sugiura, K.;Ito, N.;Matsumoto, N.;Mihara, Y.;Murata, K.;Tsukakoshi;Goto, M., 1978: Accumulation of polychlorinated biphenyls and polybrominated biphenyls in fish: Limitation of “correlation between partition coefficients and accumulation factors”. Chemosphere 7, 731–736

    Article  CAS  Google Scholar 

  • Sugiura, K.;Washino, T.;Hattori, M.;Sato, E.;Goto, M., 1979: Accumulation of organochlorine compounds in fishes. Difference of accumulation factors by fishes. Chemosphere 8, 359–364

    Article  CAS  Google Scholar 

  • Tadokoro, H.;Tomita, Y., 1987: The relationship between bioaccumulation and lipid content of fish. In: Kaiser K.L.E. (Ed.) QSAR in Environmental Toxicology — II. D. Reidel, Dordrecht, Niederlande, pp. 363–373

    Google Scholar 

  • Westall, J.C.;Leuenberger, C.;Schwarzenbach, R.P., 1985: Influence of pH and ionic strength on the aqueous-nonaqueous distribution of chlorinated phenols. Environ. Sci. Technol. 19, 193–198

    Article  CAS  Google Scholar 

  • de Wolf, W.;de Bruijn, J.H.M.;Seinen, W.;Hermens, J.L.M., 1992: Influence of biotransformation on the relationship between bioconcentration factors and octanol/water partition coefficients. Environ. Sci. Technol. 26, 1197–1201

    Article  Google Scholar 

  • Zitko, V., 1974: Uptake of chlorinated paraffins and PCB [polychlorinated biphenyl] from suspended solids and food by juvenile Atlantic salmon. Bull. Environ. Contam. Toxicol. 12, 406–412

    Article  CAS  Google Scholar 

  • Zitko, V.;Carson, W.G., 1977: Uptake and excretion of chlorinated diphenyl ethers and brominated toluenes by fish. Chemosphere 6, 293–301

    Article  CAS  Google Scholar 

  • Zitko, V.;Hutzinger O., 1976: Uptake of chloro- and bromobiphenyls, hexachloro-, and hexabromobenzene by fish. Bull. Environ. Contam. Toxicol. 16, 665–673

    Article  CAS  Google Scholar 

  • Zok, S.;Görge, G.;Kalsch, W.;Nagel, R., 1991: Bioconcentration, metabolism and toxicity of substituted anilines in the zebrafish. Sci. Tot. Environ. 109/110, 411–421

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Sektion Chemische Ökotoxikologie, UFZ-Umweltforschungszentrum Leipzig-Halle, Permoserstr. 15, D-04318, Leipzig

    Gerrit Schüürmann

Authors
  1. Gerrit Schüürmann
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Herrn Prof. Dr. Werner Klein, Fraunhofer-Institut Schmallenberg, zum 60. Geburtstag gewidmet.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Schüürmann, G. Thermodynamische Modelle für die Bioverfügbarkeit und Bioakkumulation organischer Chemikalien. UWSF - Z. Umweltchem. Ökotox. 9, 345–352 (1997). https://doi.org/10.1007/BF02938884

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02938884

Schlagwörter

Keywords

Search

Navigation