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4948 Jung, K., Hafner, C., Schmidt, E., Schüürmann, G. (2002):
Ecotoxicological investigations with the 15N Ecotoxicological Stable Isotope Metabolic Assay (ESIMA) in plant systems
In: Eichkoff, C.V., van Aggelen, G.C., Niimi, A.J. (eds.)
29th Annual Aquatic Toxicity Workshop, Whistler, British Columbia, Canada, 21.-23.10.2002
Can. Tech. Rep. Fish. Aquat. Sci. 2438
Fisheries and Oceans Canada (DFO), Ottawa, p. 136 - 137
8071 Jung, K., Kaletta, K., Segner, H., Schüürmann, G. (1999):
15N metabolic test for the determination of phytotoxic effects of chemicals and contaminated environmental samples
Environ. Sci. Pollut. Res. 6 (2), 72 - 76
full text (doi)
9353 Jung, K., Kristen, U., Flachowsky, J., Segner, H., Schüürmann, G. (1997):
Deponiesickerwässer: Bestimmung zytotoxischer Wirkungen mit dem Pollenschlauchwachstumstest
UWSF 9 (6), 317 - 321
full text (doi)
17015 Junker, T., Coors, A., Schüürmann, G. (2016):
Development and application of screening tools for biodegradation in water–sediment systems and soil
Sci. Total Environ. 544 , 1020 - 1030
full text (doi)
21856 Junker, T., Coors, A., Schüürmann, G. (2019):
Compartment‐specific screening tools for persistence: Potential role and application in the regulatory context
Integr. Environ. Assess. Manag. 15 (3), 470 - 481
full text (doi)
9367 Kaiser, K.L.E., Niculescu, S.P., Schüürmann, G. (1997):
Feed forward backpropagation neural networks and their use in predicting the acute toxicity of chemicals to the fathead minnow
Water Qual. Res. J. Canada 32 (3), 637 - 657
7296 Katritzky, A.R., Chen, K., Wang, Y., Karelson, M., Lucic, B., Trinajstic, N., Suzuki, T., Schüürmann, G. (2000):
Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship
J. Phys. Org. Chem. 13 , 80 - 86
full text (doi)
4995 Kördel, W., Schüürmann, G. (2003):
Jahrestagung der FG Umweltchemie und Ökotoxikologie 7.-8. Oktober in München - ein Kurzbericht
Mitteilungen der Fachgruppe Umweltchemie und Ökotoxikologie / Gesellschaft Deutscher Chemiker 9 (4), 15 - 16
9451 Kühne, R., Breitkopf, C., Schüürmann, G. (1997):
Error propagation in fugacity level-III models in the case of uncertain physicochemical compound properties
Environ. Toxicol. Chem. 16 (10), 2067 - 2069
full text (doi)
11259 Kühne, R., Ebert, R.-U., Kleint, F., Schmidt, G., Schüürmann, G. (1995):
Group contribution methods to estimate water solubility of organic chemicals
Chemosphere 30 (11), 2061 - 2077
full text (doi)
9452 Kühne, R., Ebert, R.U., Kleint, F., Schüürmann, G. (1997):
Estimation of Henry's law constant at varying temperatures from chemical structure
In: Alef, K., Brandt, J., Fiedler, H., Hauthal, W., Hutzinger, O., Mackay, D., Matthies, M., Morgan, K., Newland, L., Robitaille, H., Schlummer, M., Schüürmann, G., Voigt, K. (eds.)
Information and communication in environmental and health issues : Proceedings of Eco-Informa '97, October 6-9, 1997
Eco-Informa 12
Eco-Informa Press, Bayreuth, p. 464 - 469
352 Kühne, R., Ebert, R.-U., Schüürmann, G. (2009):
Chemical domain of QSAR models from atom-centered fragments
J. Chem Inf. Model. 49 (12), 2660 - 2669
full text (doi)
3551 Kühne, R., Ebert, R.-U., Schüürmann, G. (2005):
Prediction of the temperature dependency of Henry's law constant from chemical structure
Environ. Sci. Technol. 39 (17), 6705 - 6711
full text (doi)
9453 Kühne, R., Ebert, R.U., Schüürmann, G. (1997):
Estimation of vapour pressures for hydrocarbons and halogenated hydrocarbons from chemical structure by a neural network
Chemosphere 34 (4), 671 - 686
full text (doi)
2807 Kühne, R., Ebert, R.U., Schüürmann, G. (2006):
Model selection based on structural similarity - method description and application to water solubility prediction
J. Chem Inf. Model. 46 (2), 636 - 641
full text (doi)
1981 Kühne, R., Ebert, R.U., Schüürmann, G. (2007):
Estimation of compartmental half-lives of organic compounds - structural similarity versus EPI-Suite
QSAR Comb. Sci. 26 (4), 542 - 549
full text (doi)
13241 Kühne, R., Ebert, R.-U., von der Ohe, P.C., Ulrich, N., Brack, W., Schüürmann, G. (2013):
Read-across prediction of the acute toxicity of organic compounds toward the water flea Daphnia magna
Mol. Inf. 32 (1), 108 - 120
full text (doi)
11258 Kühne, R., Kleint, F., Ebert, R.-U., Schüürmann, G. (1996):
Calculation of compound properties using experimental data from sufficiently similar chemicals
In: Gasteiger, J. (ed.)
Software-Entwicklung in der Chemie 10: proceedings of the 10th Workshop "Computer in Chemistry", Hochfilzen, Tirol, November 19 - 21, 1995 = Software development in chemistry 10
Gesellschaft Deutscher Chemiker (GDCh), Frankfurt/Main, p. 125 - 134
11264 Kühne, R., Rothenbacher, C., Herth, P., Schüürmann, G. (1994):
Group contribution methods for physicochemical properties of compounds
In: Jochum, C. (ed.)
Software-Entwicklung in der Chemie 8 = Software development in chemistry 8 : proceedings of the 8th Workshop "Computer in Chemistry" Seeheim - Jugenheim/Darmstadt, November 17-19, 1993
Gesellschaft Deutscher Chemiker (GDCh), Frankfurt/Main, p. 207 - 224
5020 Küster, E., Dorusch, F., Meißner, B., Weiß, H., Schüürmann, G., Altenburger, R. (2003):
Toxizitätsreduktion durch (Grundwasser-) Sanierung? Erfolgskontrolle von In-situ-Grundwasser- Sanierungsverfahren mithilfe von kontinuierlichen und diskontinuierlichen Biotests
Grundwasser 8 (1), 32 - 40
full text (doi)
5018 Küster, E., Dorusch, F., Weiß, H., Schüürmann, G., Altenburger, R. (2003):
Beurteilung der Entgiftung von Grundwasser durch Sanierungsverfahren mittels kontinuierlicher biologischer Überwachung
In: Foth, H. (Hrsg.)
Risk assessment and management of large contamination sites. Gefahrenabschätzung und Handhabung großflächiger Kontaminationen. Proceedingsband zum Kongress an der Martin-Luther-Universität Halle-Wittenberg, 22. - 24. Februar 2002
S. 41 - 45
11861 Laqua, A., Mulliner, D., Blaschke, U., Schramm, F., Schüürmann, G. (2011):
Chemie und Toxikologie - experimentelle und theoretische Methoden zur Aufklärung molekularer Wirkmechanismen
Acamonta 18 , 61 - 66
18979 Le, T.D.H., Scharmüller, A., Kattwinkel, M., Kühne, R., Schüürmann, G., Schäfer, R.B. (2017):
Contribution of waste water treatment plants to pesticide toxicity in agriculture catchments
Ecotox. Environ. Safe. 145 , 135 - 141
full text (doi)
24691 Liess, M., Liebmann, L., Vormeier, P., Weisner, O., Altenburger, R., Borchardt, D., Brack, W., Chatzinotas, A., Escher, B., Foit, K., Gunold, R., Henz, S., Hitzfeld, K.L., Schmitt-Jansen, M., Kamjunke, N., Kaske, O., Knillmann, S., Krauss, M., Küster, E., Link, M., Lück, M., Möder, M., Müller, A., Paschke, A., Schäfer, R.B., Schneeweiss, A., Schreiner, V.C., Schulze, T., Schüürmann, G., von Tümpling, W., Weitere, M., Wogram, J., Reemtsma, T. (2021):
Pesticides are the dominant stressors for vulnerable insects in lowland streams
Water Res. 201 , art. 117262
full text (doi)
12526 Liess, M., Schüürmann, G. (2012):
Quantification of exposure and ecological effect of toxicants in aquatic ecosystems
1st UFZ Energy Days 2012: 4-5 April 2012 ; book of abstracts
UFZ-Bericht 6/2012
Helmholtz-Zentrum für Umweltforschung - UFZ, Leipzig, p. 64
21284 Lindim, C., de Zwart, D., Cousins, I.T., Kutsarova, S., Kühne, R., Schüürmann, G. (2019):
Exposure and ecotoxicological risk assessment of mixtures of top prescribed pharmaceuticals in Swedish freshwaters
Chemosphere 220 , 344 - 352
full text (doi)
15340 Lombardo, A., Roncaglioni, A., Benfenati, E., Nendza, M., Segner, H., Jeram, S., Pauné, E., Schüürmann, G. (2014):
Optimizing the aquatic toxicity assessment under REACH through an integrated testing strategy (ITS)
Environ. Res. 135 , 156 - 164
full text (doi)
14917 Lombardo, A., Roncaglioni, A., Benfentati, E., Nendza, M., Segner, H., Fernández, A., Kühne, R., Franco, A., Pauné, E., Schüürmann, G. (2014):
Integrated testing strategy (ITS) for bioaccumulation assessment under REACH
Environ. Int. 69 , 40 - 50
full text (doi)
9462 Löser, C., Seidel, H., Hoffmann, P., Zehnsdorf, A., Fischer, R. (1997):
Microbial remediation of a hydrocarbon contaminated soil in percolator systems of pilot and large scale
In: Alef, K., Brandt, J., Fiedler, H., Hauthal, W., Hutzinger, O., Mackay, D., Matthies, M., Morgan, K., Newland, L., Robitaille, H., Schlummer, M., Schüürmann, G., Voigt, K. (eds.)
Information and communication in environmental and health issues: Proceedings of Eco-Informa '97, October 6-9, 1997
Eco-Informa 12
Eco-Informa Press, Bayreuth, p. 314 - 319
8203 Luckenbach, T., Adam, S., Behrens, A., Beier, S., Böhmer, J., Braunbeck, T., Dietze, U., Honnen, W., Kappus, B., Klingebiel, M., Knigge, T., Köhler, H.-R., Konradt, J., Lehmann, R., Müller, E., Oberemm, A., Schüürmann, G., Schwaiger, J., Segner, H., Siligato, S., Strmac, M., Traunspurger, W., Triebskorn, R. (1999):
Das Verbundprojekt Valimar = The project Valimar
In: Böcker, R. (ed.)
Umweltforschung im Dialog - aktuelle Beiträge aus dem mittleren Neckarraum. 31. Hohenheimer Umwelttagung, 29. Januar 1999
p. 79 - 84
21090 Ma, G., Yu, H., Wei, X., Chen, J., Lin, H., Schüürmann, G. (2018):
Computational insight into the activation mechanism of carcinogenic N’-nitrosonornicotine (NNN) catalyzed by cytochrome P450
Environ. Sci. Technol. 52 (20), 11838 - 11847
full text (doi)
8210 Manz, M., Weissflog, L., Kühne, R., Schüürmann, G. (1999):
Ecotoxicological hazard and risk assessment of heavy metal contents in agricultural soils of Central Germany
Ecotox. Environ. Safe. 42 (2), 191 - 201
full text (doi)
6584 Manz, M., Wenzel, K.-D., Dietze, U., Schüürmann, G. (2001):
Persistent organic pollutants in agricultural soils of Central Germany
Sci. Total Environ. 277 (1-3), 187 - 198
full text (doi)
5788 Meene, R., Schüürmann, G., Altenburger, R. (2002):
pH-abhängige Algentoxizität von Phenolderivaten
Mitteilungen der Fachgruppe Umweltchemie und Ökotoxikologie / Gesellschaft Deutscher Chemiker 8 , 9 - 11
10291 Meinert, C., Schymanski, E., Küster, E., Kühne, R., Schüürmann, G., Brack, W. (2010):
Application of preparative capillary gas chromatography (pcGC), automated structure generation and mutagenicity prediction to improve effect-directed analysis of genotoxicants in a contaminated groundwater
Environ. Sci. Pollut. Res. 17 (4), 885 - 897
full text (doi)
20428 Möcker, D., Jung, K., Förstel, H., Schüürmann, G. (1998):
Isotopic and enzymatic investigations into the assimilation and effect of NO2 on C3 and C4 plants
J. Appl. Bot. - Angew. Bot. 72 (5-6), 186 - 190
14084 Mueller, A., Schlink, U., Wichmann, G., Bauer, M., Graebsch, C., Schüürmann, G., Herbarth, O. (2013):
Individual and combined effects of mycotoxins from typical indoor moulds
Toxicol. Vitro 27 (6), 1970 - 1978
full text (doi)
7465 Müller, E., Braunbeck, T., Honnen, W., Köhler, H.-R., Oberemm, A., Schüürmann, G., Schwaiger, J., Segner, H., Triebskorn, R. (2000):
Der BMBF-Verbund Valimar: Validierung und Einsatz biologischer, chemischer und mathematischer Tests und Biomarkerstudien zur Bewertung und Belastung kleiner Fließgewässer mit Umweltchemikalien
In: Fomin, A., Arndt, U., Elsner, D., Klumpp, A. (eds.)
Bioindikation: Biologische Testverfahren. Beiträge und Diskussion - 2. Hohenheimer Workshop zur Bioindikation am Kraftwerk Altbach-Deizisau, 6.4.1998
Heimbach, Stuttgart, p. 147 - 155
13468 Mulliner, D., Schüürmann, G. (2013):
Model suite for predicting the aquatic toxicity of α,β-unsaturated esters triggered by their chemoavailability
Mol. Inf. 32 (1), 98 - 107
full text (doi)
11618 Mulliner, D., Wondrousch, D., Schüürmann, G. (2011):
Predicting Michael-acceptor reactivity and toxicity through quantum chemical transition-state calculations
Org. Biomol. Chem. 9 (24), 8400 - 8412
full text (doi)
18783 Münze, R., Hannemann, C., Orlinskiy, P., Gunold, R., Paschke, A., Foit, K., Becker, J., Kaske, O., Paulsson, E., Peterson, M., Jernstedt, H., Kreuger, J., Schüürmann, G., Liess, M. (2017):
Pesticides from wastewater treatment plant effluents affect invertebrate communities
Sci. Total Environ. 599-600 , 387 - 399
full text (doi)
16609 Münze, R., Orlinskiy, P., Gunold, R., Paschke, A., Kaske, O., Beketov, M.A., Hundt, M., Bauer, C., Schüürmann, G., Möder, M., Liess, M. (2015):
Pesticide impact on aquatic invertebrates identified with Chemcatcher® passive samplers and the SPEARpesticides index
Sci. Total Environ. 537 , 69 - 80
full text (doi)
17889 Muz, M., Ost, N., Kühne, R., Schüürmann, G., Brack, W., Krauss, M. (2017):
Nontargeted detection and identification of (aromatic) amines in environmental samples based on diagnostic derivatization and LC-high resolution mass spectrometry
Chemosphere 166 , 300 - 310
full text (doi)
13916 Nendza, M., Gabbert, S., Kühne, R., Lombardo, A., Roncaglioni, A., Benfenati, E., Benigni, R., Bossa, C., Strempel, S., Scheringer, M., Fernández, A., Rallo, R., Giralt, F., Dimitrov, S., Mekenyan, O., Bringezu, F., Schüürmann, G. (2013):
A comparative survey of chemistry-driven in silico methods to identify hazardous substances under REACH
Regul. Toxicol. Pharmacol. 66 (3), 301 - 314
full text (doi)
19505 Nendza, M., Kühne, R., Lombardo, A., Strempel, S., Schüürmann, G. (2018):
PBT assessment under REACH: Screening for low aquatic bioaccumulation with QSAR classifications based on physicochemical properties to replace BCF in vivo testing on fish
Sci. Total Environ. 616-617 , 97 - 106
full text (doi)
3644 Netzeva, T.I., Aptula, A.O., Benfenati, E., Cronin, M.T.D., Gini, G., Lessigiarska, I., Maran, U., Vračko, M., Schüürmann, G. (2005):
Description of the electronic structure of organic chemicals using semiempirical and ab initio methods for development of toxicological QSARs
J. Chem Inf. Model. 45 (1), 106 - 114
full text (doi)
5092 Netzeva, T.I., Aptula, A.O., Chaudary, S.H., Duffy, J.C., Schultz, T.W., Schüürmann, G., Cronin, M.T.D. (2003):
Structure-activity relationships for the toxicity of substituted poly-hydroxylated benzenes to Tetrahymena pyriformis: influence of free radical formation
QSAR Comb. Sci. 22 (6), 575 - 582
full text (doi)
8887 Niculescu, S.P., Kaiser, K.L.E., Schüürmann, G. (1998):
Influence of data preprocessing and kernel selection on probabilistic neural network modeling of the acute toxicity of chemicals to the fathead minnow and Vibrio fischeri bacteria
Water Qual. Res. J. Canada 33 (1), 153 - 165
2152 Paschke, A., Brümmer, J., Schüürmann, G. (2007):
Silicone rod extraction of pharmaceuticals from water
Anal. Bioanal. Chem. 387 (4), 1417 - 1421
full text (doi)
6671 Paschke, A., Freyer, K., Treutler, H.-C., Wennrich, R., Popp, P., Möder, M., Weiß, H., Schüürmann, G. (2001):
Assessment of Theisenschlamm leaching behaviour
In: Daus, B., Weiß, H. (eds.)
Fine-grained residues from copper smelting and their environmental impacts
UFZ-Bericht 22/2001
UFZ Leipzig-Halle GmbH, Leipzig, p. 71 - 81
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