Publications

The PDF lists will be updated about once per year. The lists at ResearcherID and ORCID confine to peer-reviewed papers in journals and will be completed in shorter intervals.

Available Online

This paper is in press and available online already at the web page of its publisher, but not yet released as printed version with page numbers:

Shafique U, Schulze S, Slawik C, Böhme A, Paschke A, Schüürmann G 2016. Perfluoroalkyl acids in aqueous samples from Germany and Kenya. Environ. Sci. Pollut. Res., in press.
DOI: 10.1007/s11356-016-7076-4


Papers available in their final print version with page numbers are listed in alphabetical order year by year (older papers):

2016

Böhme A, Laqua A, Schüürmann G 2016. Chemoavailability of organic electrophiles – Impact of hydrophobicity and reactivity on their aquatic excess toxicity. Chem. Res. Toxicol. 29: 952-962.
DOI: 10.1021/acs.chemrestox.5b00398
Full-text access possible after registration (restricted to the first 50 downloads)


Busch W, Schmidt S, Kühne R, Schulze T, Krauss M, Altenburger R 2016. Micro-pollutants in European rivers: A mode of action survey to support the development of effect-based tools for water monitoring. Environ. Toxicol. Chem. 35: 1887-1899.
DOI: 10.1002/etc.3460


Eremina N, Paschke A, Mazlova EA, Schüürmann G 2016. Distribution of polychlorinated biphenyls, phthalic acid esters, polycyclic aromatic hydrocarbons and organochlorine substances in the Moscow River, Russia. Environ. Pollut. 210: 409-418.
DOI: 10.1016/j.envpol.2015.11.034


Hirte K, Seiwert B, Schüürmann G, Reemtsma T 2016. New hydrolysis products of the beta-lactam antibiotic amoxicillin, their pH-dependent formation and search in municipal wastewater. Water Res. 88: 880-888.
DOI: 10.1016/j.watres.2015.11.028


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.
DOI: 10.1016/j.scitotenv.2015.11.14


Petersen J, Pröfrock D, Paschke A, Broekaert JAC, Prange A 2016. Development and field test of a mobile continuous flow system utilizing Chemcatcher for monitoring of rare earth elements in marine environments. Environ. Sci.: Water Res. Technol. 2: 146-153.
DOI: 10.1039/C5EW00126A


Posada-Ureta O, Olivares M, Zatón L, Delgado A, Prieto A, Vallejo A, Paschke A, Etxebarria N 2016. Uptake calibration of polymer-based passive samplers for monitoring priority and emerging organic non-polar pollutants in WWTP effluents. Anal. Bioanal. Chem. 408: 3165-3175.
DOI: 10.1007/s00216-016-9381-7


Salmina E, Wondrousch D, Kühne R, Potemkin VA, Schüürmann G 2016. Variation in predicted internal concentrations in relation to PBPK model complexity for rainbow trout. Sci. Total Environ. 550: 586–597.
DOI: 10.1016/j.scitotenv.2016.01.107


Scholz S, Klüver N, Kühne R 2016. Analysis of the relevance and adequateness of using Fish Embryo Acute Toxicity (FET) Test Guidance (OECD 236) to fulfil the information requirements and addressing concerns under REACH. European Chemicals Agency. Report ECHA-UFZ contract ECHA/2014/341.
PDF download


Schüürmann G, Ebert R-U, Tluczkiewicz I, Escher SE, Kühne R 2016. Inhalation threshold of toxicological concern (TTC) – Structural alerts discriminate high from low repeated-dose inhalation toxicity. Environ. Int. 88: 123-132.
DOI: 10.1016/j.envint.2015.12.005


Tluczkiewicz I, Kühne R, Ebert R-U, Batke M, Schüürmann G, Mangelsdorf I, Escher SE 2016. Inhalation TTC values: A new integrative grouping approach based on structural, toxicological and mechanistic features. Regul. Toxicol. Pharm. 78: 8-23.
DOI: 10.1016/j.yrtph.2016.03.022


Older Publications

Barthel C, Sorger D, Deuther-Conrad W, Scheunemann M, Schweiger S, Jäckel P, Roghani A, Steinbach J, Schüürmann G, Sabri O, Brust P, Wenzel B 2015. New systematically modified vesamicol analogs and their affinity and selectivity for the vesicular acetylcholine transporter – A critical examination of the lead structure. Eur. J. Med. Chem. 100: 50-67.
DOI: 10.1016/j.ejmech.2015.05.033


Becker B, Duffek A, Lepom P, Paschke A, Möhlenkamp C, Claus E, Schäfer S 2015. Anwendung von Passivsammlern für das Monitoring hydrophober organischer Schadstoffe in Flüssen. Mitteil. Fachgr. Umweltchemie und Ökotoxikologie der GDCh. 21 (2): 49-51.
PDF download


Berggren E, Amcoff P, Benigni R, Blackburn K, Carney E, Cronin M, Deluyker H, Gautier F, Judson RS, Kass GEN, Keller D, Knight D, Lilienblum W, Mahony C, Rusyn I, Schultz T, Schwarz M, Schüürmann G, White A, Burton J, Lostia AM, Munn S, Worth A 2015. Chemical safety assessment using read-across: Assessing the use of novel testing methods to strengthen the evidence base for decision making. Environ. Health Persp. 123: 1232-1240.
DOI: 10.1289/ehp.1409342


Brack W, Altenburger R, Schüürmann G, Krauss M, López Herráez D, van Gils J, Slobodnik J, Munthe J, Gawlik BM, van Wezel A, Schriks M, Hollender J, Tollefsen KE, Mekenyan O, Dimitrov S, Bunke D, Cousins I, Posthuma L, Van den Brink PJ, López de Alda M, Barceló D, Faust M, Kortenkamp A, Scrimshaw M, Ignatova S, Engelen G, Massmann G, Lemkine G, Teodorovic I, Walz KH, Dulio V, Jonker MTO, Jäger F, Chipman K, Falciani F, Liska I, Rooke D, Zhang X, Hollert H, Vrana B, Hilscherova K, Kramer K, Neumann S, Hammerbacher R, Backhaus T, Mack J, Segner H, Escher B, de Aragão Umbuzeiro G 2015. The SOLUTIONS project: Challenges and responses for present and future emerging pollutants in land and water resources management. Sci. Total Environ. 503–504: 22-31.
DOI: 10.1016/j.scitotenv.2014.05.143


Cooper M, Wagner A, Wondrousch D, Sonntag F, Sonnabend A, Brehm M, Schüürmann G, Adrian L 2015. Anaerobic microbial transformation of halogenated aromatics and fate prediction using electron density modeling. Environ. Sci. Technol. 49: 6018-6028.
DOI: 10.1021/acs.est.5b00303


Ji L, Schüürmann G 2015. Computational biotransformation profile of paracetamol catalyzed by cytochrome P450. Chem. Res. Toxicol. 28: 585–596.
DOI: 10.1021/tx5003645


Klüver N, König M, Ortmann J, Massei R, Paschke A, Kühne R, Scholz S 2015. Fish Embryo Toxicity Test: Identification of compounds with weak toxicity and analysis of behavioral effects to improve prediction of acute toxicity for neurotoxic compounds. Environ. Sci. Technol. 49: 7002-7011.
DOI: 10.1021/acs.est.5b01910


Münze R, Orlinskiy P, Gunold R, Paschke A, Kaske O, Beketov MA, 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.

DOI: 10.1016/j.scitotenv.2015.07.012


Orlinskiy P, Münze R, Beketov M, Gunold R, Paschke A, Knillmann S, Liess M 2015. Forested headwaters mitigate pesticide effects on macroinvertebrate communities in streams: Mechanisms and quantification. Sci. Total Environ. 524-525: 115-123.
DOI: 10.1016/j.scitotenv.2015.03.143


Petersen J, Paschke A, Gunold R, Schüürmann G 2015. Calibration of Chemcatcher® passive sampler for selected highly hydrophobic organic substances under fresh and sea water conditions. Environ. Sci.: Water Res. Technol. 1: 218-226.
DOI: 10.1039/C4EW00043A


Petersen J, Pröfrock D, Paschke A, Broekaert JAC, Prange A 2015. Laboratory calibration and field testing of the Chemcatcher-Metal for trace levels of rare earth elements in estuarine waters. Environ. Sci. Pollut. Res. 22: 16051-16059.
DOI: 10.1007/s11356-015-4823-x


Poerschmann J, Schultze-Nobre L, Ebert R-U, Górecki T 2015. Identification of oxidative coupling products of xylenols arising from laboratory-scale phytoremediation. Chemosphere. 119: 184-189.
DOI: 10.1016/j.chemosphere.2014.06.004


Rotter S, Gunold R, Mothes S, Paschke A, Brack W, Altenburger R, Schmitt-Jansen M 2015. Pollution-induced community tolerance to diagnose hazardous chemicals in multiple contaminated aquatic systems. Environ. Sci. Technol. 49: 10048–10056.
DOI: 10.1021/acs.est.5b01297


Rovida C, Alépée N, Api AM, Basketter DA, Bois FY, Caloni F, Corsini E, Daneshian M, Eskes C, Ezendam J, Fuchs H, Hayden P, Hegele-Hartung C, Hoffmann S, Hubesch B, Jacobs MN, Jaworska J, Kleensang A, Kleinstreuer N, Lalko J, Landsiedel R, Lebreux F, Luechtefeld T, Locatelli M, Mehling A, Natsch A, Pitchford JW, Prater D, Prieto P, Schepky A, Schüürmann G, Smirnova L, Toole C, van Vliet E, Weisensee D, Hartung T 2015. t4 Report. Integrated Testing Strategies (ITS) for safety assessment. ALTEX 32 (1): 25-40.
DOI: 10.14573/altex.1411011


Schäfer S, Buchmeier G, Claus E, Duester L, Heininger P, Körner A, Mayer P, Paschke A, Rauert C, Reifferscheid G, Rüdel H, Schlechtriem C, Schröter-Kermani C, Schudoma D, Smedes F, Steffen D, Vietoris F 2015. Bioaccumulation in aquatic systems: methodological approaches, monitoring and assessment. Environmental Sciences Europe. 27: 5.
DOI: 10.1186/s12302-014-0036-z


Schubert M Paschke A 2015. Radon, CO2 and CH4 as environmental tracers in groundwater/surface water interaction studies − comparative theoretical evaluation of the gas specific water/air phase transfer kinetics. Eur. Phys. J. Special Topics. 224: 709-715.
DOI: 10.1140/epjst/e2015-02401-4


Thalheim T, Wagner B, Kühne R, Middendorf M, Schüürmann G 2015. A Branch-and-Bound approach for tautomer enumeration. Mol. Inf.  34: 263-275.
DOI: 10.1002/minf.201400128


Wilks MF, Roth N, Aicher L, Faust M, Papadaki P, Marchis A, Calliera M, Ginebreda A, Andres S, Kühne R, Schüürmann G 2015. White paper on the promotion of an integrated risk assessment concept in European regulatory frameworks for chemicals. Sci. Total Environ. 521-522: 211-218.
DOI: 10.1016/j.scitotenv.2015.03.065


Yu H, Wondrousch D, Li F, Chen J, Lin H, Ji L 2015. In silico investigation of the thyroid hormone activity of hydroxylated polybrominated diphenyl ethers. Chem. Res. Toxicol. 28: 1538–1545.
DOI: 10.1021/acs.chemrestox.5b00127


Caicedo VP, Rahman KZ, Kuschk P, Blumberg M, Paschke A, Janzen W, Schüürmann G 2014. Comparison of heavy metal content in two sludge drying reed beds of different age. Ecol. Eng. 74: 48-55.
DOI: 10.1016/j.ecoleng.2014.10.025


Fenclová D, Blahut A, Vrbka P, Dohnal V, Böhme A 2014. Temperature dependence of limiting activity coefficients, Henry’s law constants, and related infinite dilution properties of C4–C6 isomeric n-alkyl ethanoates/ethyl n-alkanoates in water. Measurement, critical compilation, correlation, and recommended data. Fluid Phase Equilibr. 375: 347-359.
DOI: 10.1016/j.fluid.2014.05.023


Guénard G, von der Ohe PC, Walker SC, Lek S, Legendre P 2014. Using phylogenetic information and chemical properties to predict species tolerances to pesticides. P. Roy. Soc. B-Biol. Sci. 281 (1789): 20133239.
DOI: 10.1098/rspb.2013.3239


Lombardo A, Roncaglioni A, Benfenati 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.
DOI: 10.1016/j.envint.2014.04.005


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.
DOI: 10.1016/j.envres.2014.09.002


Malaj E, von der Ohe PC, Grote M, Kühne R, Mondy C, Usseglio-Polatera P, Brack W, Schäfer RB 2014. Organic chemicals jeopardise freshwater ecosystems health on the continental scale. P. Natl. Acad. Sci. USA. 111: 9549–9554.
DOI: 10.1073/pnas.1321082111


Ren W, Teng Y, Zhou Q, Paschke A, Schüürmann G 2014. Sorption of chlorimuron-ethyl on montmorillonite clays: effects of exchangeable cations, pH, and ionic strength. Environ. Sci. Pollut. Res. 21: 11587–11597.
DOI: 10.1007/s11356-014-3139-6


Ren W, Teng Y, Zhou Q, Paschke A, Schüürmann G 2014. Sorption of chlorimuron-ethyl on montmorillonite clays: effects of exchangeable cations, pH, and ionic strength. Environ. Sci. Pollut. Res. 21: 11587–11597.
DOI: 10.1007/s11356-014-3139-6


Ulrich N, Mühlenberg J, Schüürmann G, Brack W 2014. Linear solvation energy relationships as classifier in non-target analysis – An approach for isocratic liquid chromatography. J. Chromatogr. A. 1324: 96-103.
DOI: 10.1016/j.chroma.2013.11.023

Buist H, Aldenberg T, Batke M, Escher S, Entink RK, Kühne R, Marquart H, Pauné E, Rorije E, Schüürmann G, Kroese D 2013. The OSIRIS Weight of Evidence approach: ITS mutagenicity and ITS carcinogenicity. Regul. Toxicol. Pharm. 67: 170-181.
DOI: 10.1016/j.yrtph.2013.01.002


Ji L, Schüürmann G 2013. Model and mechanism: N-hydroxylation of primary aromatic amines by cytochrome P450. Angew. Chem. Int. Edit. 52: 744–748.
DOI: 10.1002/anie.201204116


Kühne R, Ebert R-U, von der Ohe PC, 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: 108-120.
DOI: 10.1002/minf.201200085


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. in Vitro 27: 1970-1978.
DOI: 10.1016/j.tiv.2013.06.019


Mulliner D, Schüürmann G 2013. Model suite for predicting the aquatic toxicity of α,β-unsaturated esters triggered by their chemoavailability. Mol. Inf. 32: 98-107.
DOI: 10.1002/minf.201200101


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. Pharm. 66: 301-314.
DOI: 10.1016/j.yrtph.2013.05.007


Péry ARR, Schüürmann G, Ciffroy P, Faust M, Backhaus T, Aicher L, Mombelli E, Tebby C, Cronin MTD, Tissot S, Andres S, Brignon JM, Frewer L, Georgiou S, Mattas K, Vergnaud JC, Peijnenburg W, Capri E, Marchis A, Wilks MF 2013. Perspectives for integrating human and environmental risk assessment and synergies with socio-economic analysis. Sci. Total Environ. 456-457: 307-316.
DOI: 10.1016/j.scitotenv.2013.03.099


Rorije E, Aldenberg T, Buist H, Kroese D, Schüürmann G 2013. The OSIRIS Weight of Evidence approach: ITS for skin sensitisation. Regul. Toxicol. Pharm. 67: 146–156.
DOI: 10.1016/j.yrtph.2013.06.003


Scholz S, Sela E, Blaha L, Braunbeck T, Galay-Burgos M, García-Franco M, Guinea J, Klüver N, Schirmer K, Tanneberger T, Tobor-Kapłon M, Witters H, Belanger S, Benfenati E, Cretonm S, Cronin MTD, Eggen RLL, Embry M, Ekman D, Gourmelon A, Halder M, Hardy B, Hartung T, Hubesch B, Jungmann D, Lampi MA, Lee L, Léonard M, Küster E, Lillicrap A, Luckenbach T, Murk AJ, Navas JM, Peijnenburg W, Repetto G, Salinas E, Schüürmann G, Spielmann H, Tollefsen KE, Walter-Rohde S, Whale G, Wheeler JR, Winte MJ 2013. A European perspective on alternatives to animal testing for environmental hazard identification and risk assessment. Regul. Toxicol. Pharm. 67: 506-530.
DOI: 10.1016/j.yrtph.2013.10.003


Tluczkiewicz I, Batke M, Kroese D, Buist H, Aldenberg T, Pauné E, Grimm H, Kühne R, Schüürmann G, Mangelsdorf I, Escher SE 2013. The OSIRIS Weight of Evidence approach: ITS for the endpoint repeated-dose toxicity (RepDose ITS). Regul. Toxicol. Pharm. 67: 157-169.
DOI: 10.1016/j.yrtph.2013.02.004


Ulrich N, Schüürmann G, Brack W 2013. Prediction of gas chromatographic retention indices as classifier in non-target analysis of environmental samples. J. Chromatogr. A 1285: 139-147.
DOI: 10.1016/j.chroma.2013.02.037


Vallejo A, Prietoa A, Moeder M, Usobiaga A, Zuloaga O, Etxebarria N, Paschke A 2013. Calibration and field test of the polar organic chemical integrative samplers for the determination of 15 endocrine disrupting compounds in wastewater and river water with special focus on performance reference compounds (PRC). Water Res. 47: 2851–2862.
DOI: 10.1016/j.watres.2013.02.049

Artigas J, Arts G, Babut M, Caracciolo AB, Charles S, Chaumot A, Combourieu B, Dahllöf I, Despréauxc D, Ferrari B, Friberg F, Garric J, Geffard O, Gourlay-Francé C, Hein M, Hjorth M, Krauss M, De Lange HJ, Lahr J, Lehtonen KK, Lettieri T, Liess M, Lofts S, Mayer P, Morin S, Paschke A, Svendsen C, Usseglio-Polatera P, van den Brink N, Vindimian E, Williams R 2012. Towards a renewed research agenda in ecotoxicology. Environ. Pollution 260: 201-206.
DOI: 10.1016/j.envpol.2011.08.011


Blaschke U, Eismann K, Böhme A, Paschke A, Schüürmann G 2012. Structural alerts for the excess toxicity of acrylates, methacrylates and propiolates derived from their short-term and long-term bacterial toxicity. Chem. Res. Toxicol. 25: 170–180.
DOI: 10.1021/tx200395k


Bönisch U, Böhme A, Kohajda T, Mögel I, Schütze N, von Bergen M, Simon JC, Lehmann I, Polte T 2012. Volatile organic compounds enhance allergic airway inflammation in an experimental mouse model. Plos One 7: e39817.
DOI: 10.1371/journal.pone.0039817


Ji L, Schüürmann G 2012. Computational evidence for α-nitrosamino radical as initial metabolite for both the P450 dealkylation and denitrosation of carcinogenic nitrosamines. J. Phys. Chem. B. 116: 903-912.
DOI: 10.1021/jp206570n


Schubert M, Paschke A, Bednorz D, Bürkin W, Stieglitz T 2012. Kinetics of the water/air phase transition of radon and its implication on detection of radon-in-water concentrations: Practical assessment of different on-site radon extraction methods. Environ. Sci. Technol. 46>: 8945–8951.
DOI: 10.1021/es3019463


Schubert M, Paschke A, Lieberman E, Burnett WC 2012. Air–water partitioning of 222Rn and its dependence on water temperature and salinity. Environ. Sci. Technol. 46: 3905–3911.
DOI: 10.1021/es204680n


Slobodnik J, Mrafkova L, Carere M, Ferrara F, Pennelli B, Schüürmann G, von der Ohe PC 2012. Identification of river basin specific pollutants and derivation of environmental quality standards: A case study in the Slovak Republic. TrAC-Trend. Anal. Chem. 41: 133-145.
DOI: 10.1016/j.trac.2012.08.008


Thaens D, Heinzelmann D, Böhme A, Paschke A, Schüürmann G 2012. Chemoassay screening of DNA-reactive mutagenicity with 4-(4-nitrobenzyl)pyridine - Application to epoxides, oxetanes, and sulfur heterocycles. Chem. Res. Toxicol. 25: 2092–2102.
DOI: 10.1021/tx3001412


Ulrich N, Mühlenberg J, Retzbach H, Schüürmann G, Brack W 2012. Linear solvation energy relationships as classifiers in non-target analysis - A gas chromatographic approach. J. Chromatogr. A 1264: 95-103.
DOI: 10.1016/j.chroma.2012.09.051

Caicedo P, Schröder A, Ulrich N, Schröter U, Paschke A, Schüürmann G, Ahumada I, Richter P 2011. Determination of lindane leachability in soil−biosolid systems and its bioavailability in wheat plants. Chemosphere. 84: 397-402.
DOI: 10.1016/j.chemosphere.2011.03.070


Gruber T, Eissmann F, Weber E, Schüürmann G 2011. 1-Methyl-4-(4-nitrobenzoyl)pyridinium perchlorate. Acta Cryst. E67: o2542-o2543.
DOI: 10.1107/S1600536811034945


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.


Mulliner D, Wondrousch D, Schüürmann G 2011. Predicting Michael-acceptor reactivity and toxicity through quantum chemical transition-state calculations. Org. Biomol. Chem. 9: 8400-8412.
DOI: 10.1039/C1OB06065A


Prieto A, Vallejo A, Zuloaga O, Paschke A, Sellergen B, Schillinger E, Schrader S, Möder M 2011. Selective determination of estrogenic compounds in water by microextraction by packed sorbents and a molecularly imprinted polymer coupled with large volume injection-in-port-derivatization gas chromatography-mass spectrometry. Anal. Chim. Acta. 703: 41-45.
DOI: 10.1016/j.aca.2011.07.007


Schäfer RB, Pettigrove V, Rose G, Allinson G, Wightwick A, von der Ohe PC, Shimeta J, Kühne R, Kefford BJ 2011. Effects of pesticides monitored with three sampling methods in 24 sites on macroinvertebrates and microorganisms. Environ. Sci. Technol. 45: 1665-1672.
DOI: 10.1021/es103227q


Schäfer RB, von der Ohe PC, Kühne R, Schüürmann G, Liess M 2011. Occurrence and toxicity of 331 organic pollutants in large rivers of North Germany over a decade (1994 to 2004). Environ. Sci. Technol. 45: 6167-6174.
DOI: 10.1021/es2013006


Schramm F, Müller A, Hammer H, Paschke A, Schüürmann G 2011. Epoxide and thiirane toxicity in vitro with the ciliates Tetrahymena pyriformis: structural alerts indicating excess toxicity. Environ. Sci. Technol. 45: 5812-5819.
DOI: 10.1021/es200081n


Schulze T, Streck G, Paschke A 2011. Sampling and conservation. In: Frimmel F (eds): Water Chemistry and Microbiology. [Wilderer P (ed): Treatise on Water Science Vol. 3], Academic Press, Oxford (UK), pp. 132-152.


Schüürmann G, Ebert R-U, Kühne R 2011. Quantitative read-across for predicting the acute fish toxicity of organic compounds. Environ. Sci. Technol. 45: 4616-4622.
DOI: 10.1021/es200361r


Schwöbel J, Ebert R-U, Kühne R, Schüürmann G 2011. Prediction models for the Abraham hydrogen bond donor strength: Comparison of semi-empirical, ab initio and DFT methods. J. Phys. Org. Chem. 24: 1072-1080.
DOI: 10.1002/poc.1834


Ulrich N, Schüürmann G, Brack W 2011. Linear Solvation Energy Relationships as classifiers in non-target analysis − A capillary liquid chromatography approach. J. Chromatogr. A 1218: 8192-8196.
DOI: 10.1016/j.chroma.2011.09.031


Von der Ohe PC, Dulio V, De Deckere E, Slobodnik J, Kühne R, Ebert R-U, Schüürmann G, Brack W 2011. A new risk assessment approach for the prioritization of 500 classical and emerging organic microcontaminants as potential river basin specific pollutants under the European Water Framework Directive. Sci. Total Environ. 409: 2064-2077.
DOI: 10.1016/j.scitotenv.2011.01.054


Yu H, Kühne R, Ebert R-U, Schüürmann G 2011. Prediction of the dissociation constant pKa of organic acids from local molecular parameters of their electronic ground state. J. Chem. Inf. Model. 51: 2336-2344.
DOI: 10.1021/ci200233s

Allan IJ, Booij K, Paschke A, Vrana B, Mills GA, Greenwood R 2010. Short-term exposure testing of six different passive samplers for monitoring hydrophobic contaminants in water. J. Environ. Monitor. 12: 696-703.
DOI: 10.1039/b921326k


Blaschke U, Paschke A, Rensch I, Schüürmann G 2010. Acute and chronic toxicity toward the bacteria Vibrio fischeri of organic narcotics and epoxides: Structural alerts for epoxide excess toxicity. Chem. Res. Toxicol. 23: 1936-1946.
DOI: 10.1021/tx100298w


Böhme A, Thaens D, Schramm F, Paschke A, Schüürmann G 2010. Thiol reactivity and its impact on the ciliate toxicity of α,β-unsaturated aldehydes, ketones, and esters. Chem. Res. Toxicol. 23: 1905-1912.
DOI: 10.1021/tx100226n


Böhnhardt A, Kühne R, Ebert R-U, Schüürmann G 2010. Predicting rate constants of OH-mediated indirect photolysis - advances for oxygenated compounds through a molecular orbital HF/6-31G** approach. Theor. Chem. Acc. 127: 355-367.
DOI: 10.1007/s00214-009-0724-8


Dohnal V, Vrbka P, Řeháka K, Böhme A, Paschke A 2010. Activity coefficients and partial molar excess enthalpies at infinite dilution for four esters in water. Fluid Phase Equilib. 295: 194-200.
DOI: 10.1016/j.fluid.2010.05.010


Fjodorova N, Vračko M, Tušar M, Jezierska A, Novič M, Kühne R, Schüürmann G 2010. Quantitative and qualitative models for carcinogenicity prediction for non-congeneric chemicals using CP ANN method for regulatory uses.Mol. Divers. 14: 581-594.
DOI: 10.1007/s11030-009-9190-4


Gartiser S, Hafner C, Hercher C, Kronenberger-Schäfer K, Paschke A 2010. Whole effluent assessment of industrial wasteeater for determiantion of BAT compliance. Part 1: paper manufacturing industry. Environ. Sci. Pollut. Res. 17: 856-865.
DOI: 10.1007/s11356-009-0289-z


Gartiser S, Hafner C, Hercher C, Kronenberger-Schäfer K, Paschke A 2010. Whole effluent assessment of industrial wasteeater for determiantion of BAT compliance. Part 2: metal surface treatment industry. Environ. Sci. Pollut. Res. 17: 1149-1157.
DOI: 10.1007/s11356-009-0290-6


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. ESPR - Environ. Sci. & Pollut. Res. 17: 885-897.
DOI: 10.1007/s11356-009-0286-2


Schwöbel JAH, Wondrousch D, Koleva YK, Madden JC, Cronin MTD, Schüürmann G 2010. Prediction of Michael-type acceptor reactivity toward glutathione. Chem. Res. Toxicol. 23: 1576-1585.
DOI: 10.1021/tx100172x


Thalheim T, Vollmer A, Ebert R-U, Kühne R, Schüürmann G 2010. Tautomer identification and tautomer structure generation based on the InChI code.
J. Chem. Inf. Model. 50: 1223-1232.
DOI: 10.1021/ci1001179


Van Pinxteren M, Paschke A, Popp P 2010. Silicone rod and silicone tube sorptive extraction. J. Chromatogr. A 16: 2589-2598.
DOI: 10.1016/j.chroma.2009.11.025


Wondrousch D, Böhme A, Thaens D, Ost N, Schüürmann G 2010. Local electrophilicity predicts toxicity-relevant reactivity of Michael acceptors. J. Phys. Chem. Lett. 1: 1605-1610.
DOI: 10.1021/jz100247x


Yu H, Kühne R, Ebert R-U, Schüürmann G 2010. Comparative analysis of QSAR models for predicting pKa of organic oxygen acids and nitrogen bases from molecular structure. J. Chem. Inf. Model. 50: 1949-1960.
DOI: 10.1021/ci100306k

Allan IJ, Booij K, Paschke A, Vrana B, Mills GA, Greenwood R 2009. Field performance of seven passive sampling devices for monitoring of hydrophobic substances. Environ. Sci. Technol. 43: 5383-5390.
DOI: 10.1021/es900608w


Bandow N, Altenburger R, Lübcke-von Varel U, Paschke A, Streck G, Brack W 2009. Partitioning-based dosing: An approach to include bioavailability in the effect-directed analysis of contaminated sediment samples. Environ. Sci. Technol. 43: 3891-3896.
DOI: 10.1021/es803453h


Böhme A, Thaens D, Paschke A, Schüürmann G 2009. Kinetic glutathione chemoassay to quantify thiol reactivity of organic electrophiles-application to a,ß-unsaturated ketones, acrylates, and propiolates. Chem. Res. Tox. 22: 742-750.
DOI: 10.1021/tx800492x


Gartiser S, Hafner C, Oeking S, Paschke A 2009. Results of a "Whole Effluent Assessment" study from different industrial sectors in Germany according to OSPAR's WEA strategy. J. Environ. Monitor. 11: 359-369.
DOI: 10.1039/B805746J


Kühne R, Ebert R-U, Schüürmann G 2009. Chemical domain of QSAR models from atom-centered fragments. J. Chem. Inf. Model. 49: 2660-2669.
DOI: 10.1021/ci900313u


Paschke A, Vrana B, Popp P, Wennrich L, Paschke H, Schüürmann G 2009. MESCO - Neue Passivsammler zur zeitintegrierten Erfassung von organischen Gewässerschadstoffen. Vom Wasser 107 (3): 13-18.

Schreiber R, Altenburger R, Paschke A, Schüürmann G, Küster E 2009. A novel in vitro system for the determination of bioconcentration factors and the internal dose in zebrafish (Danio rerio) eggs. Chemosphere. 77: 928-933.
DOI: 10.1016/j.chemosphere.2009.08.038


Schwöbel J, Ebert R-U, Kühne R, Schüürmann G 2009. Modelling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters. J. Comput. Chem. 30: 1554-1464.
DOI: 10.1002/jcc.21166


Schwöbel J, Ebert R-U, Kühne R, Schüürmann G 2009. Prediction of the intrinsic hydrogen bond acceptor strength of organic compounds by local molecular parameters. J. Chem. Inf. Model. 49: 956-962.
DOI: 10.1021/ci900040z


Schwöbel J, Ebert R-U, Kühne R, Schüürmann G 2009. Prediction of the intrinsic hydrogen bond acceptor strength of chemical substances from molecular structure. J. Phys. Chem. A. 113: 10104-10112.
DOI: 10.1021/jp904812b


Wang B, Chen J, Li X, Chen L, Zhu M, Yu H, Kühne R, Schüürmann G 2009. Estimation of soil organic carbon normalized sorption coefficient (Koc) using least squares-support vector machine. QSAR Comb. Sci. 28: 561-567.
DOI: 10.1002/qsar.200860065

Beketov MA, Schäfer RB, Marwitz A, Paschke A, Liess M 2008. Long-term stream invertebrate community alternations induced by the insecticide thiacloprid: Effect concentrations and recovery dynamics. Sci. Total Environ. 405: 96-108.
DOI: 10.1016/j.scitotenv.2008.07.001


Böhme A, Paschke A, Vrbka P, Dohnal V, Schüürmann G 2008. Determination of temperature-dependent Henry's law constant of four oxygenated solutes in water using headspace solid phases microextraction technique. J. Chem. Eng. Data 53: 2873-2877.
DOI: 10.1021/je800623x


Böhnhardt A, Kühne R, Ebert R-U, Schüürmann G 2008. Indirect photolysis of organic compounds − prediction of OH reaction rate constants through molecular orbital calculations. J. Phys. Chem. A 112: 11391-11399.
DOI: 10.1021/jp8052218


Gunold R, Schäfer RB, Paschke A, Schüürmann G, Liess M 2008. Calibration of the Chemcatcher passive sampler for monitoring selected polar and semi-polar pesticides in surface water. Environ. Pollution 155: 52-60.
DOI: 10.1016/j.envpol.2007.10.037


Schäfer RB, Paschke A, Liess M 2008. Aquatic passive sampling of a short-term thiacloprid pulse with the Chemcatcher: Impact of biofouling and use of a diffusion-limiting membrane on the sampling rate. J. Chromatogr. A 1203: 1-6.
DOI: 10.1016/j.chroma.2008.05.098


Schäfer RB, Paschke A, Vrana B, Mueller R, Liess M 2008. Performance of the Chemcatcher® passive sampler when used to monitor 10 polar and semi-polar pesticides in 16 Central European streams, and comparison with two other sampling methods. Water Res. 42: 2707-2717.
DOI: 10.1016/j.watres.2008.01.023


Schreiber R, Altenburger R, Paschke A, Küster E 2008. How to deal with lipophilic and volatile organic substances in microtiter plate assays? Environ. Tox. Chem. 27: 1676-1682.
DOI: 10.1897/07-504.1


Schubert M, Schmidt A, Paschke A, Lopez A, Balcázar M 2008. In situ determination of radon in water by means of a hydrophobic membrane tubing. Radiat. Meas. 43: 111-120.
DOI: 10.1016/j.radmeas.2007.12.017


Schüürmann G, Ebert R-U, Chen J, Wang B, Kühne R 2008. External validation and prediction employing the predictive squared correlation coefficient - test set activity mean vs training set activity mean. J. Chem. Inf. Model. 48: 2140-2145.
DOI: 10.1021/ci800253u


Szymoszek A, Wenzel B, Scheunemann M, Steinbach J, Schüürmann G 2008. First CoMFA characterization of vesamicol analogs as ligands for the vesicular acetylcholine transporter. J. Med. Chem. 51: 2128-2136.
DOI: 10.1021/jm700961r


Gartiser S, Hafner C, Oeking S, Paschke A, Maue G 2007. Einsatz wirkungsbezogener Methoden zur Bewertung und Kontrolle von Industrieabwässern im Rahmen von OSPAR-Aktivitäten. Korrespondenz Abwasser − Abwasser, Abfall 54: 1146-1155.


Kühne R, Ebert R-U, Schüürmann G 2007. Estimation of compartmental half-lives of organic compounds - structural similarity vs. EPI-suite. QSAR Comb. Sci. 26: 542-549.
DOI: 10.1002/qsar.200610121


Paschke A, Brümmer J, Schüürmann G 2007. Silicone rod extraction of pharmaceuticals from water.
Anal. Bioanal. Chem. 387: 1417-1421.
DOI: 10.1007/s00216-006-0986-0


Paschke A, Vrana B, Popp P, Wennrich L, Paschke H, Schüürmann G 2007. Chapter 10. Membrane enclosed sorptive coating (MESCO) for monitoring organic compounds in water. In: Greenwood R, Mills GA, Vrana B (eds) Passive Sampling Techniques in Environmental Monitoring. Vol. 48 of Barceló D (ed) Wilson & Wilson's Comprehensive Analytical Chemistry. Elsevier, Amsterdam (NL), pp. 231-250.


Popp P, Paschke H, Vrana B, Wennrich L, Paschke A 2007. Chapter 5. Membrane-enclosed sorptive coating (MESCO) as integrative sampler for monitoring organic compounds in air. In: Greenwood R, Mills GA, Vrana B (eds) Passive Sampling Techniques in Environmental Monitoring. Vol. 48 of Barceló D (ed) Wilson & Wilson's Comprehensive Analytical Chemistry. Elsevier, Amsterdam (NL), pp. 107-123.


Rüdel H, Bester K, Eisenträger A, Franzaring J, Haarich M, Köhler J, Körner W, Oehlmann J, Paschke A, Ricking M, Schröder W, Schröter-Kermani Ch, Schulze T, Schwarzbauer J, Theobald N, von der Trenck Th, Wagner G, Wiesmüller GA 2007. Stoffbezogenes Umweltmonitoring. In: Handbuch der Umweltmedizin, Loseblattwerk, 37. Ergänzungslieferung, Oktober 2007. Ecomed MEDIZIN, Landsberg, Vol 2, Ch. IV-7.1, pp. 1-48.


Rüdel H, Bester K, Eisenträger A, Franzaring J, Haarich M, Köhler J, Körner W, Oehlmann J, Paschke A, Ricking M, Schröder W, Schröter-Kermani Ch, Schulze T, Schwarzbauer J, Theobald N, von der Trenck Th, Wagner G, Wiesmüller GA 2007. Positionspapier zum stoffbezogenen Umweltmonitoring, Arbeitskreis Umweltmonitoring in der GDCh-Fachgruppe Umweltchemie und Ökotoxikologie.
Mitt. Umweltchem. Ökotox. 13: 34-41 und 72-79.


Schubert M, Lehmann K, Paschke A 2007. Determination of radon partition coefficients between water and organic liquids and their utilization for the assessment of subsurface NAPL contamination. Sci. Total Environ. 376: 306-316.
DOI: 10.1016/j.scitotenv.2006.12.050


Schubert M, Paschke A, Lau S, Geyer W, Knöller K 2007. Radon as a naturally occurring tracer for the assessment of residual NAPL contamination of aquifers. Environ. Pollut. 45: 920-927.
DOI: 10.1016/j.envpol.2006.04.029


Schüürmann G, Ebert R-U, Nendza M, Dearden JC, Paschke A, Kühne R 2007. Predicting fate-related physicochemical properties. In: Van Leeuwen K, Vermeire T (Hrsg): Risk assessment of chemicals. An Introduction. 2nd Edition. Springer Science, Dordrecht (NL), Kapitel 9, S. 375-426.
ISBN: 978-1-4020-6101-1


Von der Ohe PC, Kühne R, Ebert R-U, Schüürmann G 2007. Comment on "Discriminating toxicant classes by mode of action: 3. Substructure indicators" (M. Nendza, M. Müller, SAR QSAR Environ. Res. 18, 155 (2007)). SAR QSAR Environ. Res. 18: 621-624.
DOI: 10.1080/10629360701698571

Ahlers J, Riedhammer C, Vogliano M, Ebert R-U, Kühne R, Schüürmann G 2006. Acute/chronic ratios in aquatic toxicity – Variation across trophic levels and relationship with chemical structure. Environ. Toxicol. Chem. 25: 2937-2945.
DOI: 10.1897/05-701R.1


Hollert H, Ebke KP, Kubiak R, Lorenz W, Ratte HT, Schäffer A, Schulz R, Schüürmann G, Nagel R 2006. Postgraduale Weiterbildung mit dem zertifizierten Abschluß Fachökotoxikologin/e GDCh/SETAC. Übersicht über das Kursprogramm ab Sommer 2006. UWSF – Z. Umweltchem. Ökotox. 18: 138-139.
DOI: 10.1007/BF03038964


Hollert H, Ebke KP, Foth H, Debus R, Römbke J, Seitz A, Schüürmann G, Kubiak R, Schulz R, Nagel R 2006. Postgraduale Weiterbildung mit dem zertifizierten Abschluß Fachökotoxikologin/e GDCh/SETAC. Übersicht über das Kursprogramm 2006. UWSF – Z. Umweltchem. Ökotox. 18: 57-59.

DOI: 10.1007/BF03039217


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: 636-641.
DOI: 10.1021/ci0503762


Paschke A, Schwab K, Brümmer J, Schüürmann G, Paschke H, Popp P 2006. Rapid semicontinuous calibration and field test of membrane-enclosed silicone collector as passive water sampling. J. Chromatogr. A 1124: 187-195.
DOI: 10.1016/j.chroma.2006.06.094


Paschke A, Vrana B, Popp P, Schüürmann G 2006. Comparative application of solidphase microextraction fibre assemblies and semipermeable membrane devices as passive air samplers for semivolatile chlorinated organic compounds – A case study on the landfill 'Grube Antonie' in Bitterfeld. Environ. Pollut. 144: 414-422.
DOI: 10.1016/j.envpol.2005.12.046


Schüürmann G 2006. Neue Kooperation in den Umweltwissenschaften – Assoziation zwischen GDCh und UWSF. UWSF – Z. Umweltchem. Ökotox. 18: 78-79.
DOI: 10.1007/BF03038952


Schüürmann G, Ebert R-U, Kühne R 2006. Prediction of the sorption of organic compounds into soil organic matter from molecular structure. Environ. Sci. Technol. 40: 7005-7011.
DOI: 10.1021/es060152f


Schüürmann G, Ebert R-U, Kühne R 2006. Prediction of physicochemical properties of organic compounds from 2D molecular structure – Fragment methods vs. LFER models. Chimia 60: 691-698
DOI: 10.2533/chimia.2006.691
Supporting information can be downloaded here


Vrana B, Paschke A, Popp P 2006. Calibration and field performance of Membrane-Enclosed Sorptive Coating for integrative passive sampling of persistent organic pollutants in Water. Environ. Pollution. 144: 296-307.
DOI: 10.1016/j.envpol.2005.11.046


Wenzel K-D, Hubert A, Weissflog L, Kühne R, Popp P, Kindler A, Schüürmann G 2006. The influence of different emission sources on atmospheric organochlorine patterns in Germany. Atmos. Environm. 40: 943-957.
DOI: 10.1016/j.atmosenv.2005.10.016


Wenzel KD, Rehwagen M, Esche S, Wenzel V, Paschke A 2006. Neue sorbent-gefüllte Passivsammler – Alternative zur konventionellen Erfassung organischer Schadstoffe. GIT –Labor-Fachzeitschrift 2006 (5): 416-419.

Altenburger R, Schmitt H, Schüürmann G 2005. Algal toxicity of nitrobenzenes – Combined effect analysis as a pharmacological probe for similar modes of interaction. Environ. Toxicol. Chem. 24: 324-333.
DOI: 10.1897/04-032R.1


Grote M, Altenburger R, Brack W, Moschütz S, Mothes S, Michael C, Narten G-B, Paschke A, Schirmer K, Walter H, Wennrich R, Wenzel K-D, Schüürmann G 2005. Ecotoxicological profiling of transect River Elbe sediments. Acta Hydrochim. Hydrobiol. 33: 555-569.
DOI: 10.1002/aheh.200400598


Grote M, Schüürmann G, Altenburger R 2005. Modelling photoinduced algal toxicity of polycyclic aromatic hydrocarbons. Environ. Sci. Technol. 39: 4141-4149.
DOI: 10.1021/es048310v


Hollert H, Ahlers J, Schulz R, Schüürmann G, Ratte HT, Braunbeck Th, Kubiak R, Nagel R 2005. Auf zu neuen Ufern - Postgraduale Weiterbildung mit dem zertifizierten Abschluss Fachökotoxikologin/e GDCh/SETAC. Die ersten drei Kurse starten im Oktober/November 2005. UWSF – Z. Umweltchem. Ökotox. 17: 129-130.
DOI: 10.1065/uwsf2005.03.001


Hollert H, Ahlers J, Schulz R, Schüürmann G, Ratte HT, Nagel R 2005. Auf zu neuen Ufern - Postgraduale Weiterbildung mit dem zertifizierten Abschluss Fachökotoxikologin/e SETAC/GDCh beginnt 2005. UWSF – Z. Umweltchem. Ökotox. 17: 1-2.

DOI: 10.1007/BF03038682


Schüürmann G 2005. Modellierung der Lebensdauer und Abbaubarkeit organischer Verbindungen in Luft, Boden und Wasser (Translation of  "Sabljic A, Peijnenburg W 2001. Modeling lifetime and degradability of organic compounds in air, soil, and water systems. Pure Appl. Chem. 73: 1331-1348", DOI: 10.1351/pac200173081331). Angew. Chem. 117: 843-845.

DOI: 10.1002/ange.200462504


Kühne R, Ebert R-U, Schüürmann G 2005. Prediction of the temperature dependence of Henry’s law constant from chemical structure. Environ. Sci. Technol. 39: 6705-6711.
DOI: 10.1021/es050527h


Netzeva TI, Aptula AO, Benfenati E, Cronin MTD, 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: 106-114.
DOI: 10.1021/ci049747p


Paschke A, Schröter U, Schüürmann G 2005. Indirect determination of low vapour pressures using solid-phase microextraction – Application to tetrachlorobenzenes and tetrachlorotoluenes. J. Chromatogr. A 1072: 93-97.
DOI: 10.1016/j.chroma.2005.01.006


Pieters B, Paschke A, Reynaldi S, Kraak MHS, Admiraal W, Liess M 2005. Influence of food limitations on the effects of fenvalerate pulse exposure on the life history and population growth rate of Daphnia Magna. Environ. Tox. Chem. 24: 2254-2259.
DOI: 10.1897/04-563R.1


Von der Ohe PC, Kühne R, Ebert R-U, Altenburger R, Liess M, Schüürmann G 2005. Structural alerts - A new classification model to discriminate excess toxicity from narcotic effect levels of organic compounds in the acute daphnid assay. Chem. Res. Toxicol. 18: 536-555.
DOI: 10.1039/b411645c


Vrana B, Paschke H, Paschke A, Popp P, Schüürmann G 2005. Performance of semipermeable membrane devices for sampling of organic contaminations in groundwater. J. Environ. Monitor. 7: 500-508.
DOI: 10.1021/tx0497954

Grote M, Altenburger R, Brack W, Möckel C, Moschütz S, Mothes S, Michael C, Narten GB, Paschke A, Schrimer K, Walter H, Wennrich R, Wenzel KD, Schüürmann G 2004. Identifizierung und Analyse des ökotoxischen Potentials von Flußsedimenten als Folge der durch Hochwasser mobilisierten Kontaminationen. In: Geller W, Ockenfeld K, Böhme M, Knöchel A (eds) Schadstoffbelastung nach dem Elbe-Hochwasser 2002. UFZ- Umweltfroschungszentrum Leipzig-Halle, Magdeburg 2004. pp. 314-329.


Hanisch B, Abbas B, Kratz W, Schüürmann G 2004. Humanarzneimittel im aquatischen Ökosystem. Bewertungsansatz zur Abschätzung des ökotoxikologischen Risikos von Arzneimittelrückständen. UWSF - Z. Umweltchem. Ökotox. 16: 223-238.
DOI: 10.1065/uwsf2004.02.076


Hollert H, Gies A, Oehlmann J, Schüürmann G, Schaefer M, Braunbeck T 2004. Panel discussion "New Blood in Ecotoxicology". Wie kann die Berliner Erklärung zur Ökotoxikologie umgesetzt werden? UWSF – Z. Umweltchem. Ökotox. 16: 149-150.
DOI: 10.1007/BF03034156


Hollender J, Roß-Nikoll M, Ratte HAT, Schäffer A, Schüürmann G, Hollert H 2004. Erfolgreiche zweite Gemeinsame Jahrestagung von SETAC-GLB und GDCh-Fachgruppe Umweltchemie und Ökotoxikologie unter dem Motto "Grenzen finden – Grenzen überwinden – Molekulare Mechanismen und ökosystemare Prozesse – am 6.-8.10.2004 in Aachen. UWSF – Z. Umweltchem. Ökotox. 16: 281-282.

DOI: 10.1007/BF03034211


Montero L, Popp P, Paschke A, Pawliszyn J 2004. Polydimethylsiloxane (PDMS) rod extraction: a novel technique for the determination of organic micropollutants in water samples with thermal desorption-capillary gas chromatography-mass spectrometry. J. Chromatogr. A 1025: 17-26.
DOI: 10.1016/j.chroma.2003.08.058


Paschke A 2004. Biomimetika – Aktuelle Trends bei der Abschätzung der passiven Schadstoffaufnahme in Lebewesen, Mitteil. der Fachgr. Umweltchemie und Ökotoxikologie der GDCh 10 (2), 9-10.


Paschke A, Neitzel PL, Walther W, Schüürmann G 2004. Octanol/water partition coefficient of selected herbicides: Determination using shake-flask method and reversed-phase high-performance liquid chromatography. J. Chem. Eng. Data 45: 1639-1642.
DOI: 10.1021/je049947x


Paschke A, Popp P 2004. Diffusion-based calibration for solid-phase microextraction of BTEX and chlorobenzenes from aqueous samples, J. Chromatogr. A 1025: 11-16.
DOI: 10.1016/j.chroma.2003.08.059


Popp P, Bauer C, Paschke A, Montero-Schiemann L 2004: Application of rod extraction combined with column liquid chromatography to determine polycyclic aromatic hydrocarbons in environmental samples. Anal. Chim. Acta 504: 307-312.
DOI: 10.1016/j.aca.2003.10.040


Schüürmann G 2004. Quantum chemical descriptors in structure-activity relationships – Calculation, interpretation and comparison of methods. In: Cronin MTD, Livingstone DJ (eds) Predicting chemical toxicity and fate, Chapter 6. CRC Press, pp. 85-149.


Schüürmann G 2004. Book recension "Martin Scheringer: Persistence and Spatial Range of Environmental Chemicals. Wiley-VCH 2002, 294 pp.". Angew. Chem. 116: 1345-1346; Angew. Chem. Int. Ed. 43: 1323-1324.
DOI(g): 10.1002/ange.200385953
DOI(e): DOI: 10.1002/anie.200385953


Suzuki T, Yoshida K, Onizuka H, Iwai Y, Arai Y, Aptula AO, Kühne R, Ebert R-U, Schüürmann G 2004. Categorical modeling of the flow pattern of liquid organic compounds between blade electrodes using semiempirical and ab initio quantum chemical descriptors. Croatica Chemica Acta. 77: 377-398.
hrcak.srce.hr/index.php?show=clanak&id_clanak_jezik=151245


Wennrich R, Mattusch J, Morgenstern P, Freyer K, Treutler H-C, Stärk H-J, Brüggemann L, Paschke A, Daus B, Weiss, H 2004. Characterization of sediments in an abandoned mining area; a case study of Mansfeld region, Germany. Environ. Geol. 45: 818-833.
DOI: 10.1007/s00254-003-0942-7


Wenzel K-D, Vrana B, Hubert A, Schüürmann G 2004. Dialysis of persistent organic pollutants and polycyclic aromatic hydrocarbons from semipermeable membranes. A procedure using an accelerated solvent extraction device. Anal. Chem. 76: 5503-5509.
DOI: 10.1021/ac0494073

Ahlers J, Filser J, Frank H, Gies A, Klein W, Nagel R, Schüürmann G 2003. Ökotoxikologie soll endlich ein wissenschaftliches Fach werden. UWSF - Z. Umweltchem. Ökotox. 15: 3-4.
DOI: 10.1007/BF03038666


Altenburger R, Nendza M, Schüürmann G 2003. Mixture toxicity and its modeling by quantitative structure-activity relationships. Environ. Toxicol. Chem. 22: 1900-1915.
DOI: 10.1897/01-386


Aptula AO, Kühne R, Ebert R-U, Cronin MTD, Netzeva TI, Schüürmann G 2003.Modeling discrimination between antibacterial and non-antibacterial activity based on 3D molecular descriptors. QSAR Comb. Sci. 22: 113-128.
DOI: 10.1002/qsar.200390001


Brack W, Altenburger R, Küster E, Meissner B, Wenzel K-D, Schüürmann G 2003. Identification of toxic products of anthracene photomodification in simulated sunlight. Environ.Toxicol. Chem. 22: 2228-2237.
DOI: 10.1897/02-450


Brack W, Kind T, Schrader S, Möder M, Schüürmann G 2003. Polychlorinated naphthalenes in sediments from the industrial region of Bitterfeld. Environ. Pollut. 121: 81-85.
DOI: 10.1016/S0269-7491(02)00200-2


Breton R, Purdy R, Schüürmann G 2003. Proceedings of the 10th International Workshop on Quantitative Structure-Activity Relationships (QSARs) in Environmental Sciences. QSAR Comb. Sci. 22, Nos. 1-3. Preface: QSAR Comb. Sci. 22:3-4.


Dearden JD, Schüürmann G 2003. Quantitative structure-property relationships for predicting Henry's law constant from molecular structure. Environ. Toxicol. Chem. 22: 1755-1770.
DOI: 10.1897/01-605


Hubert A, Popp P, Wenzel K-D, Schüürmann G 2003. One-step cleanup for PAH residue analysis from plant matrices using size exclusion chromatography. Anal. Bioanal. Chem. 376: 53-60.
DOI: 10.1007/s00216-003-1858-5


Kördel W, Schüürmann G 2003. Kurzbericht zur Jahrestagung der GDCh-Fachgruppe Umweltchemie und Ökotoxikologie 7.-8.10. 2003 in München. GDCh Mitteilungen der Fachgruppe Umweltchemie und Ökotoxikologie 9: 15-16.


Küster E, Dorusch F, Meißner B, Weiss H, Schüürmann G, Altenburger R 2003. Toxizitätsreduktion durch (Grundwasser-)Sanierungen. Erfolgskontrolle von in situ Grundwasser-Sanierungsverfahren mit Hilfe von kontinuierlichen und diskontinuierlichen Biotesten. Grundwasser - Zeitschrift der Fachsektion Hydrogeologie in der Deutschen Geologischen Gesellschaft (FH-DGG) 8: 32-40.


Küster E, Dorusch F, Weiss H, Schüürmann G, Altenburger R 2003. Beurteilung derEntgiftung von Grundwasser durch Sanierungsverfahren mittels kontinuierlicher biologischer Überwachung. In: Foth H (ed) Risk assessment and management of large contamination sites. Proceedings of the workshop at Martin-Luther-Universität Halle Wittenberg, 22-24 February 2002, pp. 41-45.

Netzeva TI, Aptula AO, Chaudhury SH, Duffy JC, Schultz TW, Schüürmann G, Cronin MTD 2003. Structure-activity relationships for the toxicity of substituted poly-hydroxylated phenols to Tetrahymena pyriformis: Influence of free radical formation. QSAR Comb. Sci. 22: 575-582.
DOI: 10.1002/qsar.200330816


Paschke A 2003. Consideration of the physicochemical properties of sample matrices – an important step in sampling and sample preparation. TrAC – Trends in Anal. Chem. 22: 78-89.
DOI: 10.1016/S0165-9936(03)00206-1


Paschke A, Popp P 2003. Solid-phase microextraction fibre-water distribution constants of more hydrophobic organic compounds and their corrrelations with the octanol-water partition coefficients. J. Chromatogr. A 999: 35-42.
DOI: 10.1016/S0021-9673(03)00538-7


Paschke A, Vrana B, Popp P, Wennrich L, Lorenz W, Schüürmann G 2003. Novel passive samplers for monitoring organic pollutants in surface and ground water based on membrane enclosed silicone material. In: Namiesnik J, Chrzanowski W, Zmijewska P (eds) New horizons and challenges in environmental analysis and monitoring. Centre of Excellence in Environmental Analysis and Monitoring, Gdansk, Poland, Chapter 24, pp. 486-492.


Popp P, Hauser B, Paschke A, Vrana B 2003. Passivsammler zur membrankontrollierten Extraktion gelöster organischer Verbindunge im Wasser. Gebrauchsmuster Nr. 200 23 183.9 (at Dt. Patent- und Markenamt München).


Schubert, M, Morgenstern, P, Wennrich, R, Freyer, K, Paschke, A, Weiss, H 2003. The weathering behaviour of contaminated industrial sediments after their exposure to atmo-spheric oxygen. In: Locat J, Galvez-Cloutier R, Chaney R, Demars K (eds) Contaminated Sediments: Characterization, Evaluation, Mitigation/ Restoration, and Management Strategy Performance, ASTM STP 1442.  ASTM International, West Conshohocken, PA/USA, pp. 19-27.


Schüürmann G 2003. Ist das Jahr der Chemie auch ein Jahr der Umweltchemie? GDCh Mitteilungen der Fachgruppe Umweltchemie und Ökotoxikologie 9: 3.


Schüürmann G, Aptula AO, Kühne R, Ebert R-U 2003. Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay. Chem. Res. Toxicol. 16: 974-987.
DOI: 10.1021/tx0340504


Schüürmann G, Aptula AO, Ebert R-U, Kühne R 2003. Klassifizierung von Phenolderivaten nach Toxizitätsmechanismen – Struktur-Wirkungs-Modell für Schadeffekte im Ciliaten-Assay Tetrahymena pyriformis. GDCh Mitteilungen der Fachgruppe Umweltchemie und Ökotoxikologie
9: 4-5,23.


Schüürmann G, Funar-Timofei S 2003. Multilinear regression and comparative molecular field analysis (CoMFA) of azo dye-fibre affinities. II. Inclusion of solution-phase molecular orbital descriptors. J. Chem. Inf. Comput. Sci. 43: 1502-1512.
DOI: 10.1021/ci034064f


Tolls J, Bodo K, De Felip E, Dujardin R, Kim YH, Moeller-Jensen L, Mullee D, Nakajima A, Paschke A, Pawliczek JB, Schneider J, Tadeo JL, Tognucci AC, Webb J, Zwijzen AC 2003: The slow stirring method for determination of the n-octanol/water partition coefficient (pow) for highly hydrophobic chemicals – performance evaluation in a ring test. Environ. Tox. Chem. 22: 1051-1057.
DOI: 10.1002/etc.5620220512


Triebskorn R, Adam S, Behrens A, Beier S, Böhmer J, Braunbeck T, Casper H, Dietze U, Gernhöfer M, Honnen W, Köhler H-R, Körner W, Konradt J, Lehmann R, Luckenback T, Oberemm A, Schwaiger J, Segner H, Strmac M, Schüürmann G, Siligato S, Traunspurger W 2003. Establishing causality between pollution and effects at different levels of biological organization: The VALIMAR project. Hum. Ecol. Risk Assess. 9: 171-194.
DOI: 10.1080/713609858

Aptula AO, Netzeva TI, Valkova IV, Cronin MTD, Schultz TW, Kühne R, Schüürmann G 2002. Multivariate discrimination between modes of toxic action of phenols. Quant. Struct.-Act.Relat. 21: 12-22.
DOI: 10.1002/1521-3838(200205)21:1<12::AID-QSAR12>3.0.CO;2-M


Boháč M, Loeprecht B, Damborský J, Schüürmann G 2002. Impact of orthogonal signal correction (OSC) on the predictive ability of CoMFA models for the ciliate toxicity of nitrobenzenes. Quant. Struct.-Act. Relat. 21: 3-11.
DOI: 10.1002/1521-3838(200205)21:1<3::AID-QSAR3>3.0.CO;2-D


Brack W, Altenburger R, Dorusch F, Hubert A, Möder M, Morgenstern P, Moschütz S,Mothes S, Schirmer K, Wennrich R, Wenzel K-D, Schüürmann G 2002. Hochwasser 2002 - Chemische und toxische Belastung überschwemmter Gemeinden im Raum Bitterfeld. UWSF - Z. Umweltchem. Ökotox. 14: 213-220.
DOI: 10.1065/uwsf2002.10.049


Cronin MTD, Aptula AO, Dearden JC, Duffy JC, Netzeva TI, Patel H, Rowe PH, Schultz TW, Worth AP, Voutzoulidis K, Schüürmann G 2002. Structure-based classification of antibacterial activity. J. Chem. Inf. Comput. Sci. 42: 869-878.
DOI: 10.1021/ci025501d


Funar-Timofei S, Schüürmann G 2002. Comparative molecular field analysis (CoMFA) of anionic azo dye-fiber affinities. I. Gas-phase molecular orbital descriptors. J. Chem. Inf. Comput.Sci. 42: 788-795.
DOI: 10.1021/ci010086v


Hafner C, Jung K, Schüürmann G 2002. Effects of trichloroacetic acid on the nitrogen metabolism of Pinus sylvestris - A 13C/15N tracer study. Chemosphere 46: 259-266.
DOI: 10.1016/S0045-6535(01)00111-4


Majer B, Tscherko D, Paschke A, Wennrich R, Kundi M, Kandeler E, Knasmüller S 2002. Effects of heavy metal contamination of soils on micronucleus induction in Tradescantia and on microbial enzyme activities: a comparative investigation. Mutat. Res. 515: 111-124.
DOI: 10.1016/S1383-5718(02)00004-9


Meene R, Schüürmann G, Altenburger R 2002. pH-abhängige Algentoxizität von Phenolderivaten. GDCh Mitteilungen der Fachgruppe Umweltchemie und Ökotoxikologie 8: 9-11.


Paschke A 2002. Physicochemical properties of aqueous and solid environmental matrices. Chapter 7 in: Pawliszyn J (ed) Sampling and Sample Preparation for Field and Laboratory – Fundamentals and New Directions in Sample Preparation. Vol. XXXVII of Barceló D (ed) Wilson & Wilson´s Comprehensive Analytical Chemistry. Elsevier, Amsterdam, The Netherlands, pp. 219-239.


Paschke A, Popp P, Vrana B 2002. Calibration and Field Validation of SPME Fibres as Passive Samplers for Chlorinated Semivolatile Organic Compounds. In: Breh W, Gottlieb J, Hötzl H, Kern F, Liesch T, Niessner R (eds) Field Screening Europe 2001 – Proceedings of the 2nd Int. Conf. on Strategies and Techniques for the Investigation and Monitoring of Contaminated Sites. Kluwer, Dordrecht, The Netherlands, pp. 259-264.


Popp P, Möder M, Bauer C, Paschke A 2002. Verfahren und Aufbereitungsgefäß zum Nachweis oganischer Verbindungen in flüssiger Phase. Offenlegungsschrift DE 100 44 044 A1.


Popp P, Paschke A, Hauser B 2002. Vorrichtung zur in-vial Extraktion von Inhaltsstoffen aus flüssigen Phasen. Patentschrift DE 100 44 045 C1.


Tolls J, van Dijk J, Verbruggen EJM, Hermens JLM, Loeprecht B, Schüürmann G 2002. Aqueous solubility-molecular size relationships - A mechanistic case study using C10- to C19- alkanes. J. Phys. Chem. A 106: 2760-2765.
DOI: 10.1021/jp011755a


Schüürmann G 2002. Sicherheitsvorsorge für Industriechemikalien - Eine gesamtgesellschaftliche Aufgabe. GDCh Mitteilungen der Fachgruppe Umweltchemie und Ökotoxikologie 8: 3,20.


Vrana B, Schüürmann G 2002. Calibrating the uptake kinetics of semipermeable membrane devices in water: The impact of hydrodynamics. Environ. Sci. Technol. 36: 290-296.
DOI: 10.1021/es0100625


Wenzel K-D, Manz M, Hubert A, Schüürmann G 2002. Fate of POPs (DDX, HCHs, PCBs) in upper soil layers of pine forests. Sci. Total Environ. 286: 143-154.
DOI: 10.1016/S0048-9697(01)00972-X

Dietze U, Braunbeck T, Honnen W, Köhler H-R, Schwaiger J, Segner H, Triebskorn R, Schüürmann G 2001. Chemometric discrimination between streams based on chemical, limnological and biological data taken from freshwater fishes and their interrelationships. J. Aquat. Ecosyst. Stress Recov. 8: 319-336.
DOI: 10.1023/A:1012979502278


Dimov D, Nedyalkova Z, Haladjova S, Schüürmann G, Mekenyan O 2001. QSAR modeling of antimycobacterial activity and activity against other bacteria of 3-formyl rifamycin SV derivatives. Quant. Struct.-Act. Relat. 20: 298-318.
DOI: 10.1002/1521-3838(200111)20:4<298::AID-QSAR298>3.0.CO;2-Z


Hubert A, Wenzel K-D, Engewald W, Schüürmann G 2001. Accelerated solvent extraction - More efficient extraction of POPs and PAHs from real contaminated plant and soil samples. Rev. Anal. Chem. 20: 101-144.
DOI: 10.1515/REVAC.2001.20.2.101


Manz M, Wenzel K-D, Dietze U, Schüürmann G 2001. Persistent organic pollutants in agricultural soils of Central Germany. Sci. Total Environ. 277: 187-198.
DOI: 10.1016/S0048-9697(00)00877-9


Paschke A, Freyer K, Treutler, H-C, Wennrich R, Popp P, Möder M, Weiß H, Schüürmann G 2001. Assessment of Theisenschlamm leaching behavior. In: Daus B, Weiß H (eds) Fine-grained residues from copper smelting and their environmental impacts. UFZ report no. 22/2001, Leipzig, pp. 71-81.


Paschke A, Manz M, Schüürmann G 2001. Application of different RP-HPLC methods for the determination of octanol/water partition coefficients of selected tetrachlorobenzyltoluenes. Chemosphere 45: 721-728.
DOI: 10.1016/S0045-6535(01)00068-6


Paschke A, Manz M, Treutler H-C, Wennrich R, Morgenstern P, Popp P, Schüürmann G 2001. Schadstoffmobilisierbarkeit, ökotoxisches Gefährdungspotential und Pufferkapazität von potentiellem Baggergut aus der Saale. Nova Acta Leopoldina NF 84: 65-81.


Smith BJ, Branson K, Schüürmann G 2001. Gaussian-theory predictions of proton transfer to water of phenol and 3-chlorophenol: Resolution of an apparent difficulty. Chem. Phys. Lett. 342: 402-404.
DOI: 10.1016/S0009-2614(01)00583-8


Suzuki T, Ebert R-U, Schüürmann G 2001. Application of neural networks to modeling and estimating temperature-dependent liquid viscosity of organic compounds. J. Chem. Inf. Comput. Sci. 41: 776-790.
DOI: 10.1021/ci000154y


Suzuki T, Timofei S, Kurunczi L, Dietze U, Schüürmann G 2001. Correlation of aerobic biodegradability of sulfonated azo dyes with the chemical structure. Chemosphere 45: 1-9. 98. Suzuki T, Ebert R-U, Schüürmann G 2001. Application of neural networks to modeling and estimating temperature-dependent liquid viscosity of organic compounds. J. Chem. Inf. Comput. Sci. 41: 776-790.
DOI: 10.1016/S0045-6535(01)00074-1


Triebskorn R, Böhmer J, Braunbeck T, Honnen W, Köhler H-R, Lehmann R, Oberemm A, Schwaiger J, Segner H, Schüürmann G, Traunspurger W 2001. The project VALIMAR (VALidation of bioMARkers for the assessment of small stream pollution with environmental chemicals): Aims and scope, experimental design, summary of project results, and recommendations for the application of biomarkers in risk assessment. J. Aquat. Ecosyst. Stress Recov. 8: 161-178.

DOI: 10.1023/A:1012902209178


Vrana B, Paschke A, Popp P 2001: Polyaromatic hydrocarbon concentrations and patterns in sediments and surface water of the Mansfeld region, Saxony-Anhalt, Germany. J. Environ. Monitor. 3: 602-609.
DOI: 10.1039/b104707h


Vrana B, Paschke A, Popp P, Schüürmann G 2001. Use of semipermeable membrane devices (SPMDs). Determination of bioavailable, organic, waterborne contaminants in the industrial region of Bitterfeld, Saxony-Anhalt, Germany. ESPR - Environ. Sci. & Pollut. Res. 8: 27-34.
DOI: 10.1007/BF02987292


Vrana B, Popp P, Paschke A, Schüürmann G 2001. Membrane-enclosed sorptive coating. An integrative passive sampler for monitoring organic contaminants in water. Anal. Chem. 73: 5191-5200.
DOI: 10.1007/BF02987292


Wennrich, R, Morgenstern P, Möder M, Popp P, Paschke A, Vrana B 2001. Chemical characterization of Theisenschlamm. In: Daus B, Weiß H (eds) Fine-grained residues from copper smelting and their environmental impacts. UFZ report no. 22/2001, Leipzig, pp. 17-24.


Wenzel K-D, Hubert A, Engewald W, Schüürmann G 2001. Optimierung der ASE für Boden und Altlastensanierung. 5. Anwendertreffen "Extraktion zur Probenvorbereitung - ASE, SPE, SBSE, SPME, SPE", Siegen 9.-10.5.2001, Proceedings, pp. 2-8.


Wenzel K-D, Hubert A, Engewald W, Schüürmann G 2001. Effizientere Extraktion - besserer Nachweis. Nachr. Chem. 2001 (1): 96-98.

Brack W, Altenburger R, Ensenbach U, Nehls S, Segner H, Schüürmann G 2000. Wirkungsorientierte Identifikation toxischer organischer Inhaltsstoffe in Flußsedimenten. In: Friese K, Witter B, Miehlich G, Rode M (eds) Stoffhaushalt von Auenökosystemen B Böden und Hydrologie, Schadstoffe, Bewertungen. Springer, Berlin-Heidelberg, pp. 337-346.


Brack W, Paschke A, Segner H, Wennrich R, Schüürmann G 2000. Urease inhibition: a tool for toxicity identification in sediment elutriates. Chemosphere 40: 829-834.
DOI: 10.1016/S0045-6535(99)00276-3


Brack W, Segner H, Möder M, Schüürmann G 2000. Fixed-effect-level toxicity equivalents - A suitable parameter for assessing ethoxyresorufrin-O-deethylase induction potency in complex environmental samples. Environ. Toxicol. Chem. 19: 2493-2501.
DOI: 10.1002/etc.5620191015


Breitkopf C, Kühne R, Schüürmann G 2000. Multimedia Level-III partitioning and residence times of xenobiotics in water-rich and water-poor environments. Environ. Toxicol. Chem. 19: 1430-1440.
DOI: 10.1002/etc.5620190528


Elansky NP, Arabov AY, Olshansky DI, Weißflog L, Manz M, Popp P, Schüürmann G, Putz E, Pfirster G, Folberth G 2000. Oxidation of volatile organic compounds and generation of trichloroacetic acid in the atmosphere over the European Russia. Doklady Akademii Nauk 371: 109-113.


Hafner C, Erdmenger E, Jung K, Gehre M, Schüürmann G 2000. Stable isotope tracer technique as a tool to increase the sensitivity of plant growth bioasssays - Investigations with pentachlorophenol and trichloroacetic acid. Fresenius Environ. Bull. 9: 225-231.


Hafner Ch, Jung K, Gehre M, Altenburger R, Schüürmann G 2000. Isotopenmassenspektrometrische 13C/15N-Tracteruntersuchungen zur Wirkung von Chlororganika auf höhere Pflanzen am Beispiel von Pentachlorphenol. In: Fomin A, Arndt U, Elsner D, Klump A (eds) Bioindikation. Biologische Testverfahren. 2. Hohenheimer Workshop zur Bioindikation am Kraftwerk Altbach-Deizisau 1998, Verlag Günther Heimbach, Ostfildern, D, pp. 199-204.


Hubert A, Wenzel K-D, Engewald W, Schüürmann G 2000. ASE zur effizienteren Extraktion von POPs aus real kontaminierten Böden. GIT (Spezial Separation 1/00) 20: 8-10.


Hubert A, Wenzel K-D, Manz M, Weißflog L, Engewald W, Schüürmann G 2000. High extraction efficiency of POPs in real contaminated soil samples using accelerated solvent extraction. Anal. Chem. 72: 1294-1300.
DOI: 10.1021/ac991005l


Iwai Y, Yoshiba K, Arai Y, Schüürmann G, Loeprecht B, Fabian WMF, Suzuki T 2000. Analysis of the flow patterns of liquid organic compounds between blade electrodes by classification models. J. Chem. Inf. Comput. Sci. 40: 988-993.
DOI: 10.1021/ci990145t


Katritzky A, 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.
DOI: 10.1002/(SICI)1099-1395(200001)13:1<80::AID-POC179>3.0.CO;2-8


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, Klump A (eds) Bioindikation. Biologische Testverfahren. 2. Hohenheimer Workshop zur Bioindikation am Kraftwerk Altbach-Deizisau 1998,Verlag Günther Heimbach, Ostfildern, D, pp. 147-155.


Paschke A, Schüürmann G 2000. Die Konzentrationsabhängigkeit des Oktanol/Wasser-Verteilungskoeffizienten der Hexachlorcyclohexan-Isomere bei 25 °C. Chem. Ing. Techn. 72: 84-12
DOI:  10.1002/1522-2640(200001)72:1/2<84::AID-CITE84>3.0.CO;2-X


Paschke A, Schüürmann G 2000. Concentration dependence of octanol/water partition coefficients of the hexachlorocyclohexane isomers at 25 °C. Chem. Eng. & Technol. 23: 666-670.
DOI:  10.1002/1521-4125(200008)23:8<666::AID-CEAT666>3.0.CO;2-5


Schmitt H, Altenburger R, Jastorff B, Schüürmann G 2000. Quantitative structure-activity analysis of the algae toxicity of nitroaromatic compounds. Chem. Res. Toxicol. 13: 441-450.
DOI: 10.1021/tx9901635


Schulz H, Popp P, Huhn G, Stärk H-J, Schüürmann G 2000. Biomonitoring of airborne inorganic and organic pollutants by means of pine tree barks. I. Temporal and spatial variations. In: International Atomic Energy Agency, IAEA (ed) Biomonitoring of atmospheric pollution (with emphasis on trace elements) - BioMAP. Proceedings of an international workshop organized by the International Atomic Energy Agency in co-operation with the Instituto Tecnológico e Nuclear, held in Lisbon, Portugal, 21-24 September 1997. IAEA-TECDOC-1152, pp. 149-158.

Schulz H, Schulz U, Huhn G, Schüürmann G 2000. Biomonitoring of airborne inorganic and organic pollutants by means of pine tree barks. II. Deposition types and impact levels. Journal of Applied Botany-Angewandte Botanik 74: 248-253


Schulz H, Schulz U, Huhn G, Schüürmann G 2000. Biomonitoring of airborne inorganic and organic pollutants by means of pine tree barks. II. Deposition types and impact levels. In: International Atomic Energy Agency, IAEA (ed) Biomonitoring of atmospheric pollution (with emphasis on trace elements) - BioMAP. Proceedings of an international workshop organized by the International Atomic Energy Agency in co-operation with the Instituto Tecnológico e Nuclear, held in Lisbon, Portugal, 21-24 September 1997. IAEA-TECDOC-1152, pp. 159-167.


Schüürmann G 2000. Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models. J. Comput. Chem. 21: 17-34.
DOI: 10.1002/(SICI)1096-987X(20000115)21:1<17::AID-JCC3>3.0.CO;2-5


Schüürmann G 2000. Ökotoxikologie - Quo vadis. Mitteilungsblatt der GDCh-Fachgruppe Umweltchemie und Ökotoxikologie 6: 3-5.


Schweizer A, Hafner C, Jung K, Hurle K, Schüürmann G 2000. 15N-Tracerstudien zur Untersuchung des Einflusses von atmosphärischen Herbizid-Konzentrationen auf den pflanzlichen N-Metabolismus. Z. PflKrankh. PflSchutz Sonderh. 17: 799-809.


Triebskorn R, Adam S, Behrens A, Beier S, Böhmer J, Braunbeck T, Eckwert H, Frahne D, Hartig K, Honnen W, Kappus B, Klingebiel M, Köhler H-R, Konradt J, Lehmann R, Luckenbach T, Oberemm A, Pawert M, Schlegel T, Schramm M, Schüürmann G, Schwaiger J, Segner H, Siligato S, Strmac M, Traunspurger W, Müller E 2000. Das BMBF-Verbundprojekt VALIMAR: Ziele, Inhalte, Methoden, Verbundpartner. In: Fomin A, Arndt U, Elsner D, Klump A (eds) Bioindikation. Biologische Testverfahren. 2. Hohenheimer Workshop zur Bioindikation am Kraftwerk Altbach-Deizisau 1998,Verlag Günther Heimbach, Ostfildern, D, pp. 165-168.


Wenzel K-D, Weißflog L, Manz M, Hubert A, Schüürmann G 2000. Differences in timedependent accumulation of POPs in pine needles. Fresenius Environ. Bull. 9: 47-55.

Brack W, Altenburger R, Ensenbach U, Möder M, Segner H, Schüürmann G 1999. Bioassay-directed identification of organic toxicants in river sediments in the industrial region of Bitterfeld (Germany) - A contribution to hazard assessment. Arch. Environ. Contam. Toxicol. 37: 164-174.
DOI: 10.1007/s002449900502


Brack W, Altenburger R, Ensenbach U, Nehls S, Segner H, Schüürmann G 1999. Biotestorientierte Identifikation toxischer organischer Sedimentinhaltsstoffe - Ein Beitrag zur Risikoanalyse komplexer Kontaminationen am Beispiel des Spittelwassers. In: Bundesanstalt für Gewässerkunde - BFG (ed) Sedimentbewertung in europäischen Flussgebieten. Beiträge zum internationalen Symposium vom 12.-14. April 1999 in Berlin. J. Fuck, Druck und Verlag, Koblenz, pp. 135-141.


Fomin A, Paschke A, Arndt U 1999: Assessment of the genotoxicity of mine-dump material using the Tradescantia-stamen hair (Trad-SHM) and the Tradescantia-micronucleus (Trad-MCN) bioassays. Mutat. Res. 426: 173-181.
DOI: 10.1016/S0027-5107(99)00064-0


Hafner C, Jung K, Gehre M, Schüürmann G 1999. Einsatz stabiler Isotope zum ökotoxikologischen Wirkungsnachweis chlororganischer Verbindungen. In: Oehlmann J, Markert B (eds) Ökotoxikologie - Ökosystemare Ansätze und Methoden. Ecomed Verlagsgesellschaft, D, pp. 117-121.

Hafner C, Jung K, Schüürmann G 1999. Effects of atmospheric chloroorganic compounds on nitrogen metabolism of higher plants. Isotopes Environ. Health Stud. 35: 297-298.


Hauser B, Popp P, Paschke A 1999. Membrane extraction of volatile organic compounds (VOCs) in combination with mobile gas chromatographic analysis. Int. J. Environ. Anal. Chem. 74, 107-121.
DOI: 10.1080/03067319908031419


Ivanov J, Schüürmann G 1999. Simple algorithms for determining the molecular symmetry. J. Chem. Inf. Comput. Sci. 39: 728-737.
DOI: 10.1021/ci990322q


Jung K, Kaletta K, Segner H, Schüürmann G 1999. 15N metabolic test for the determination of phytotoxic effects of chemical substances and environmental samples. ESPR - Environ. Sci. Pollut. Res. 6: 191-201.
DOI: 10.1007/BF02987551


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. In: Böcker R (eds) Umweltforschung im Dialog B aktuelle Beiträge aus dem mittleren Neckarraum. Hohenheimer Umwelttagung 31, D, pp. 79-84.


Manz M, Weissflog L, Kühne R, Schüürmann G 1999. Ecotoxicological hazard and risk assessment of heavy metal contents in agricultural soils of Central Germany. Ecotoxicol. Environ. Saf. 42: 191-201.
DOI: 10.1006/eesa.1998.1741


Paschke A, Popp P 1999. Chap. 10: Estimation of hydrophobicity of organic oompounds. In: Pawliszyn J (ed) Applications of SPME. Royal Society of Chemistry, Cambridge, UK, pp. 140-155.


Paschke A, Popp P, Schüürmann G 1999. Solubility and partitioning studies with polycyclic aromatic hydrocarbons using an optimized SPME procedure. Fresenius J. Anal. Chem. 363: 426-428.
DOI: 10.1007/s002160051215


Paschke A, Wennrich R, Morgenstern P 1999. Comparison of 24 h- and long-term pHstat-leaching-tests for heavy metal mobilization from solid matrices. Acta hydrochim. hydrobiol. 27: 223-229.
DOI: 10.1002/(SICI)1521-401X(199907)27:4<223::AID-AHEH223>3.0.CO;2-6


Popp P, Paschke A 1999. Efficiency of direct solid phase microextraction from water - a comparison of different fibre types including a new C8-coating, Chromatographia 49: 686-690.
DOI: 10.1007/BF02466913


Praszczyk B, Altenburger R, Oehlmann J, Markert B, Schüürmann G 1999. Brauchen wir einen Biotest mit höheren Pflanzen in der aquatischen Toxikologie? In: Oehlmann J, Markert B (eds) Ökotoxikologie - Ökosystemare Ansätze und Methoden. Ecomed Verlagsgesellschaft, D, pp. 138-149.


Schulz H, Härtling S, Morgenstern P, Schüürmann G 1999. Nachweis ökotoxikologischer Wirkungen in Kiefernökosystemen - Ergebnisse einer langfristig angelegten Freilandstudie. In: Oehlmann J, Markert B (eds) Ökotoxikologie - Ökosystemare Ansätze und Methoden. Ecomed Verlagsgesellschaft, D, pp. 248-267.


Schulz H, Popp P, Huhn H, Stärk HJ, Schüürmann G 1999. Biomonitoring of airborne inorganic pollutants by means of pine tree barks. Sci. Total. Environ. 232: 49-58.
DOI: 10.1016/S0048-9697(99)00109-6


Schüürmann G 1999. Gas-phase and solution-phase proton transfer to H2O analyzed by high-level ab initio quantum chemistry including complete basis set and Gaussian theory schemes. Chem. Phys. Lett. 302: 471-479.
DOI: 10.1016/S0009-2614(99)00134-7


Schüürmann G, Altenburger R, Segner H 1999. Trendberichte Ökotoxikologie. Nachr. Chem. Techn. Lab. 47: 295-302.

Sijm DTHM, Schüürmann G, de Vries PJ, Opperhuizen A 1999. Aqueous solubility, octanol solubility and octanol/water partition coefficient of nine hydrophobic dyes. Environ. Toxicol. Chem. 18: 1109-1117.
DOI: 10.1897/1551-5028(1999)018<1109:ASOSAO>2.3.CO;2


Triebskorn R, Adam S, Behrens A, Braunbeck T, Gränzer S, Honnen W, Konradt J, Köhler H-J, Oberemm A, Pawert M, Schlegel T, Schramm M, Schüürmann G, Schwaiger J, Segner H, Strmac M, Müller E 1999. Eignung von Biomarkern zur Fließgewässerbewertung: Zwischenergebnisse aus dem Projekt "VALIMAR" (1995-1997). In: Oehlmann J, Markert B (eds) Ökotoxikologie - Ökosystemare Ansätze und Methoden. Ecomed Verlagsgesellschaft, D, pp. 382-389.


Weißflog L, Manz M, Popp P, Elansky N, Arabiv A, Putz E, Schüürmann G 1999. Airborne trichloroacetic acid and its deposition in the catchment area of the Caspian Sea. Environ. Pollut. 104: 359-364.
DOI: 10.1016/S0269-7491(98)00197-3


Weißflog L, Wenzel K-D, Manz M, Kleint F, Schüürmann G 1999. Economic upheavel in 1990-93 and the ecological situation in Central Germany. Environ. Pollut. 105: 341-347.
DOI: 10.1016/S0269-7491(99)00042-1


Wenzel K-D, Hubert A, Engewald W, Schüürmann G 1999. ASE von POPs aus realen pflanzlichen Proben. GIT (Spezial Separation 2/99) 19: 72-74.

Ensenbach U, Altenburger R, Behrens A, Brack W, Knops M, Navas JM, Nehls S, Schrag B, Segner H, Sturm A, Walter H, Schüürmann G 1998. Ökotoxikologische Analyse komplexer Stoffgemische. Tagungsbericht 1997 der Deutschen Gesellschaft für Limnologie (DGL), Band II. Eigenverlag der DGL, Krefeld, D, pp. 882-885.


Gabler T, Paschke A, Schüürmann G 1998. Diffusion coefficients of substituted benzenes and alcohols at high dilution in octan-1-ol. J. Chem. Eng. Data. 43: 413-416.
DOI: 10.1021/je9700030


Geyer W, Paschke A 1998. Can NIR-absorption spectra explain the different diffusivities of substituted benzenes and alcohols in octan-1-ol? J. Near Infrared Spectros. 6: A227-A230.
DOI: 10.1255/jnirs.199


Ivanov J, Mekenyan O, Bradbury SP, Schüürmann G 1998. A kinetic analysis of the conformational flexibility of steroid hormones. Quant. Struct.-Act. Relat. 17: 437-449.
DOI: 10.1002/(SICI)1521-3838(199810)17:05<437::AID-QSAR437>3.3.CO;2-B


Krüger A, Paschke A, Schneider B, Büttner E, Neumeister H 1998. Die Säure-neutralisationskapazität zur Bewertung der Schutzfunktion des Bodens – Anwendungs-prüfung am Beispiel eines Bodenprofils in der Bitterfelder Muldeaue. Petermanns Geographische Mitteilungen. 142: 375-392.


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. 72: 186-190.


Niculescu SP, Kaiser KLE, 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: 153-165.


Paschke A, Popp P, Schüürmann G 1998. Water solubility and octanol/water-partitioning of hydrophobic chlorinated organic substances determined by using SPME/GC. Fresenius J. Anal. Chem. 360: 52-57.
DOI: 10.1007/s002160050641


Paschke A, Schüürmann G 1998. Octanol/water-partitioning of four HCH isomers at 5, 25 and 45 °C. Fresenius Environ. Bull. 7: 258-263.


Paschke A, Wennrich R 1998. Vergleich von 24 h- und Langzeit-pHstat-Schütteltests zur Schwermetall-Mobilisierung aus festen Matrices. In: Fachgruppe Wasserchemie in der Gesell. Dt. Chemiker - Jahrestagung 1998, Frankfurt a.M., D, pp. 251-254.


Schüürmann G 1998. Quantum chemical analysis of the energy of proton transfer from phenol and chlorophenols to H2O in the gas phase and in aqueous solution. J. Chem. Phys. 109: 9523-9528.
DOI: 10.1063/1.477614


Schüürmann G 1998. Ecotoxic modes of action of chemical substances. In: Schüürmann G, Markert B (eds) Ecotoxicology. John Wiley and Spektrum Akademischer Verlag, New York (USA), pp. 665-749.


Schüürmann G, Cossi M, Barone V, Tomasi J 1998. Prediction of the pKa of carboxylic acids using the ab initio continuum-solvation model PCM-UAHF. J. Phys. Chem. A 102: 6706-6712.
DOI: 10.1021/jp981922f


Schüürmann G, Markert B (eds) 1998. Ecotoxicology. John Wiley and Spektrum Akademischer Verlag, New York, USA, 900 pp.


Wenzel K-D, Hubert A, Manz M, Weißflog L, Engewald W, Schüürmann G 1998. Accelerated solvent extraction of semivolatile organic compounds from biomonitoring samples of pine needles and mosses. Anal. Chem. 70: 4827-4835.
DOI: 10.1021/ac9806299

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) 1997. ECO-INFORMA '97, Vol. 12. Information and Communication in Environmental and Health Issues. Proceedings of ECO-INFORMA '97, October 6-9, Neuherberg (Germany). Eco-Informa Press, Bayreuth (Germany), 620 pp.


Altenburger R, Ensenbach U, Jung K, Knops M, Popp P, Segner H, Weiß H, Schüürmann G 1997. Ecotoxicity identification for the hazard characterisation of groundwater contamination. 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) 1997. ECO-INFORMA '97, Vol. 12. Information and Communication in Environmental and Health Issues. Proceedings of ECO-INFORMA '97, October 6-9, Neuherberg (Germany). Eco-Informa Press, Bayreuth (Germany), pp. 452-457.


Altenburger R, Schüürmann G 1997. Instrumentarien zur Bewertung möglicher Kombinationswirkungen von Schadstoffen auf die menschliche Gesundheit. Integrierte Bewertung radiologischer und chemisch-toxischer Kontaminanten, Workshop am 24.11.1997. Materialien zu Strahlenschutz/Umweltradioaktivität 3/97, Bundesamt für Strahlenschutz, Salzgitter, D, pp. 27-35.


Chen F, Schüürmann G (eds) 1997. Quantitative Structure-Activity Relationships in Environmental Sciences - VII. SETAC Press, Pensacola (FL), USA, 470 pp.


Hofmann D, Jung K, Bender J, Gehre M, Schüürmann G 1997. Use of natural isotope variations of nitrogen in plants as an early indicator of air pollution. J. Mass Spectrom. 32: 855-863.
DOI: 10.1002/(SICI)1096-9888(199708)32:8<855::AID-JMS544>3.3.CO;2-A


Kaiser KLE, Niculescu SP, 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: 637-657.


Knasmüller S, Gottmann E, Steinkellner H, Fomin A, Pickl C, Paschke A, Göd R, Kundi M 1998. Detection of gentoxic effects of heavy metal contaminated soils with plant bioassays. Mutat. Res. 420: 37-48.


Jung K, Gebauer G, Gehre M, Hofmann D, Weißflog L, Schüürmann G 1997. Anthropogenic impacts on natural nitrogen isotope variations in Pinus sylvestris stands in an industrially polluted area. Environ. Poll. 97: 175-181.
DOI: 10.1016/S0269-7491(97)00053-5


Jung K, Kristen U, Flachowsky J, Segner H, Schüürmann G 1997. Deponiesickerwässer: Bestimmung zytotoxischer Wirkungen mit dem Pollenschlauchwachstumstest. UWSF - Z. Umweltchem. Ökotox. 9: 317-321.
DOI: 10.1007/BF02938873


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: 2067-2069.
DOI: 10.1002/etc.5620161012


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) 1997. ECO-INFORMA '97, Vol. 12. Information and Communication in Environmental and Health Issues. Proceedings of ECO-INFORMA '97, October 6-9, Neuherberg (Germany). Eco-Informa Press, Bayreuth (Germany), pp. 464-469.


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: 671-686.
DOI: 10.1016/S0045-6535(97)00460-8


Paschke A, Wennrich R, Morgenstern P, Schumann G, Schüürmann G 1997. Modelluntersuchung zum Auslaugverhalten industrieller Reststoffe und Sonderabfälle aus Sachsen-Anhalt. Teil 1: Batch-Versuche zur Extraktion und Elution von Schwermetallen. Chem. Techn. 49: 157-168.


Popp P, Keil P, Möder M, Paschke A, Thuß U 1997. Application of Accelerated Solvent Extraction (ASE) followed by GC, HPLC and GC-MS for determination of PAHs, chlorinated pesticides and PCDD/F in solid wastes. J. Chromatography A 774: 203-211.
DOI: 10.1016/S0021-9673(97)00337-3


Popp P, Paschke A 1997. Solid phase microextraction of volatile organic compounds using carboxen-polydimethylsiloxane fibers. Chromatographia 46: 419-424.
DOI: 10.1007/BF02490880


Schneider B, Krüger A, Neumeister H, Paschke A 1997. Mobilisierung umweltrelevanter Metalle in Ökosystemen unter Einfluß von DOM,. Mitteil. Dt. Bodenkundl. Gesell. 85: 337-340.


Schulz H, Huhn G, Schüürmann G, Niehus B, Liebergeld G 1997. Determination of throughfall rates on the basis of pine bark loads: results of a pilot field study. J. Air & Waste Manage. Assoc. 47: 510-516.
DOI: 10.1080/10473289.1997.10464418


Schüürmann G 1997. Assessment of semiempirical quantum chemical continuumsolvation models to estimate pKa of organic compounds. In: Chen F, Schüürmann G (eds) Quantitative Structure-Activity Relationships in Environmental Sciences - VII. SETAC Press, Pensacola (FL, USA), pp. 225-242.


Schüürmann G 1997. Thermodynamische Modelle für die Bioverfügbarkeit organischer Chemikalien. UWSF - Z. Umweltchem. Ökotox. 9: 3-5.
DOI: 10.1007/BF02945922


Schüürmann G 1997. Thermodynamische Modelle für die Bioverfügbarkeit und Bioakkumulation organischer Chemikalien. UWSF - Z. Umweltchem. Ökotox. 9: 345-352.
DOI: 10.1007/BF02938884


Schüürmann G, Flemmig B, Dearden JC, Cronin MTD, Schultz TW 1997. CoMFA study of acute toxicity of nitrobenzenes to Tetrahymena pyriformis. In: Chen F, Schüürmann G (eds) Quantitative Structure-Activity Relationships in Environmental Sciences - VII. SETAC Press, Pensacola (FL, USA), pp. 315-327.


Schüürmann G, Kühne R, Kleint F, Ebert R-U, Rothenbacher C, Herth P 1997. A software system for automatic chemical property estimation from molecular structure. In: Chen F, Schüürmann G (eds) Quantitative Structure-Activity Relationships in Environmental Sciences - VII. SETAC Press, Pensacola (FL, USA), pp. 93-114.


Schüürmann G, Segner H, Jung K 1997. Multivariate mode-of-action analysis of acute toxicity of phenols. Aquat. Toxicol. 38: 277-296.
DOI: 10.1016/S0166-445X(96)00842-9


Segner H, Schüürmann G 1997. Cytotoxicity of MEIC chemicals to rainbow trout R1 cell line and multivariate comparison with ecotoxicity tests. ATLA 25: 331-338.


Suzuki T, Ebert R-U, Schüürmann G 1997. Development of both linear and nonlinear methods to predict the liquid viscosity at 20 °C of organic compounds. J. Chem. Inf. Comput. Sci. 37: 1122-1128.
DOI: 10.1021/ci9704468


Vollmayr H, Kleint F, Schüürmann G 1997. Discrete modeling of water and pesticide movement in soil. Water Resour. Res. 33: 1743-1747.
DOI: 10.1029/97WR00388


Wenzel K-D, Paladini E, Gantuz M, Puliafito JL, Guerreira C, Weißflog L, Schüürmann G 1997. Immission patterns of airborne pollutants in Argentina and Germany. II. Biomonitoring of organochlorine compounds and polycyclic aromatics. Chemosphere 34: 2505-2518.
DOI: 10.1016/S0045-6535(97)00096-9

Balzuweit G, Welk M, Der R, Schüürmann G 1996. Nonlinear partial least-squares regression. In: Bulsari AB, Kallio S, Tsaptsinos D (eds) Solving engineering problems with neural networks. Proceedings of the International Conference EANN '96, London, UK, pp. 495-498.


Fomin A, Paschke A, Arndt U 1996. Assessment of gentoxicity of mine-dump material using the Tradescantia-Stamen Hair (Trad-SHM) and the Tradescantia-Micronucleus (Trad-MCN) bioassays. In: Ma TH (ed) Workshop on plant bioassays for detection of environmental gentoxicity (Final Report UNEP FP-0502-95-08).


Gabler T, Paschke A 1996. Schadstoff-Permeation durch künstliche Lipidmembranen. In: Beckmann, D und Meister, M (eds). 8. Heiligenstädter Kolloquium "Technische Systeme für Biotechnologie und Umwelt", Tagungsband, Inst. für Bioprozeß- und Analysen-meßtechnik Heiligenstadt. pp. 419-423.


Gabler T, Paschke A, Schüürmann G 1996. Diffusion coefficients of substituted benzenes at high dilution in water. J. Chem. Eng. Data 41: 33-36.
DOI: 10.1021/je950142m


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 Development in Chemistry 10. Proceedings of the 10th workshop "Computer in Chemistry", Hochfilzen, Österreich, 1995. PROserv Springer Produktionsgesellschaft, Berlin, pp. 125-134.


Paschke A, Lazik D, Segner H, Büttner E 1996. Elutionsverhalten und ökotoxisches Potential von Sonderabfällen, UFZ-Bericht Nr. 1/1996, Leipzig, 88 pp.


Schüürmann G 1996. Modelling pKa of carboxylic acids and phenols. Quant. Struct.-Act. Relat. 15: 121-132.
DOI: 10.1002/qsar.19960150206


Schüürmann G, Somashekar RK, Kristen U 1996. Structure-activity relationships for chloro- and nitrophenol toxicity in the pollen tube growth test. Environ. Toxicol. Chem. 15: 1702-1708.
DOI: 10.1002/etc.5620151008


Vollmayr H 1996. Lattice gas simulation of darcy flow with memory-free collisions. Transport Porous Med. 22: 137-159.
DOI: 10.1007/BF01143512

Hofmann D, Jung K, Gehre M, Schüürmann G 1995. 15N/14N analysis of amino acids with GC-C-IRMS - methodical investigation and ecotoxicological applications. Isotopes Environ. Health Stud. 31: 367-375.
DOI: 10.1080/10256019508036284


Huhn G, Schulz H, Stärk H-J, Schüürmann G 1995. Evaluation of regional heavy metal deposition by multivariate analysis of element contents in pine tree barks. Water Air Soil Pollut. 84: 367-383.
DOI: 10.1007/BF00475349


Kühne R, Ebert R-U, Kleint F, Schmidt G, Schüürmann G 1995. Group contribution methods to estimate water solubility of organic chemicals. Chemosphere 30: 2061-2077.
DOI: 10.1016/0045-6535(95)00084-L


Popp P, Paschke A, Schröter U, Oppermann G 1995. Application of solid-phase micro-extraction (SPME) in combination with GC/FID to the determination of benzene and halogenated benzenes in pure and octanol-saturated water. Chem. Anal. (Warsaw) 40: 897-904.
www.chem.uw.edu.pl/chemanal/PDFs/1995/CHAN1995V0040P00897.pdf


Schädlich G, Weißflog L, Schüürmann G 1995. Magnetic susceptibility in conifer needles as indicator of fly ash deposition. Fresenius Environ. Bull. 4: 7-12.


Schulz H, Huhn G, Jung K, Härtling S, Schüürmann G 1995. Biochemical responses in needles of Scots pine (Pinus sylvestris L.) from air polluted field sites in eastern Germany. In: Ebel A, Moussiopoulos N (eds) Observation and simulation of air pollution 95: Results from SANA and EUMAC (EUROTAC). Air Pollution III, Vol. 4, pp. 31-42.


Schüürmann G 1995. Quantum chemical approach to estimate physicochemical compound properties: Application to substituted benzenes. Environ. Toxicol. Chem. 14: 2067-2076.
DOI: 10.1002/etc.5620141209


Schüürmann G 1995. Quantum chemical estimation of octanol/water partition coefficient - First results with aromatic phosphorothionates. Fresenius Environ. Bull. 4: 238-243.


Schüürmann G, Kühne R, Ebert R-U, Kleint F 1995. Multivariate error analysis of increment methods for calculating the octanol/water partition coefficient. Fresenius Environ. Bull. 4: 13-18.


Wenzel K-D, Kühne R, Weißflog L, Schüürmann G 1995. Uptake of airborne semivolatile organochloro compounds in pine needles. In: Flousek J, Roberts GCS (eds) Mountain National Parks and Biosphere Reserves: Monitoring and Management. Proceedings of the International Conference, September 1993, Špindlerúv Mlýn, Czech Republic. Krkonoše National Park Administration Vrchlabí (Czech Republic), pp. 61-67.

Gabler T, Paschke A 1994. Diffusionsmessungen mit einer Fließinjektionsmethode, In: Beckmann D, Meister M (eds) 7. Heiligenstädter Kolloquium "Technische Systeme für Biotechnologie und Umwelt", Tagungsband, Inst. für Bioprozeß- und Analysenmeß-technik Heiligenstadt. pp. 383-390.


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. Proceedings of the Workshop "Computer in Chemistry". Seeheim-Jugenheim, Darmstadt (Germany) November 17-19, 1993. PRODUserv Springer Produktions-Gesellschaft, Berlin, D, pp. 207-224.


Müller E, Schüürmann G 1994. Neural networks - training and prediction for biological activities of chemicals. In: Jochum C (ed) Software-Entwicklung in der Chemie 8. Proceedings of the Workshop "Computer in Chemistry". Seeheim-Jugenheim, Darmstadt (Germany) November 17-19, 1993. PRODUserv Springer Produktions-Gesellschaft, Berlin, D, pp. 281-291.


Pfennigsdorff A, Wienhold K, Weißflog L, Schüürmann G 1993. Multielementanalyse von Kiefernnadeln als Bioindikationssystem - Ergebnisse für Vanadium und Eisen im Raum Leipzig- Halle. In: Dittrich K, Welz B (eds) CANAS '93, Colloquium Analytische Atomspektroskopie. Universität Leipzig und UFZ-Umweltforschungszentrum Leipzig-Halle, Leipzig, pp. 787-792.


Schüürmann G, Segner H 1994. Struktur-Wirkungs-Analyse von Trialkylzinnverbindungen. In: Totsche K, Matthies M, Strutzenberger F, Petek W, Klöpffer W, Czedik-Eysenberg P, Meinholz H, Fiedler H, Alef K, Hutzinger O (eds) ECOINFORMA '94, Band 7. Umweltbundesamt Wien (A) pp. 439-453.


Schüürmann G, Wenzel K-D, Weißflog L 1994. Exposition und Bioverfügbarkeit mittelflüchtiger Organika in der Umgebung von Leipzig. In: Alef K, Fiedler H, Hutzinger O (eds) ECOINFORMA '94, Band 5. Umweltbundesamt Wien (A) S. 183-200.

Always Stay Up to Date

By subscription to a feed you can immediately be notified about new publications with participation of our department:

Subscribe now