Research for the Environment

References

Personal Lists (PDF)

Gerrit Schüürmann
Albrecht Paschke (see also ResearcherID and ORCID)
Ralph Kühne (see also ResearcherID and ORCID)

Recent Publications

2016

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.2015.11.146
Full-text download possible for free until February 27, 2016

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

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
Full-text download possible for free until March 23, 2016

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
Full-text download possible for free until February 17, 2016 

2015

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.
Download here (PDF, in German)

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 P 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

2014

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

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

Feed

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

Subscribe now

Department News

Defences  of Doctoral Theses

Within week 51 of 2015, three defences of doctoral theses resulting from research in our department took place at the TU Freiberg.

Roman Gunold, Rebecca Hiltrop and Heiko Hammer successfully defended their theses.

Newest Publications

Salmina et al. 2016. Variation in predicted internal concentrations ... PBPK model ...
Sci. Total Environ.

Eremina et al. 2016. Distribution of polychlorinated biphenyls ...
Environ. Pollut.

Hirte et al. 2016. New hydrolysis products of the beta-lactam antibiotic amoxicillin ...
Water Res.

Petersen et al. 2016. Development and field test of a mobile continuous flow system utilizing Chemcatcher ...
Environ. Sci.: Water Res. Technol.

Junker et al. 2016. ... screening tools for biodegradation in water-sediment systems and soil.
Sci. Total Environ.

Schüürmann et al. 2016. Inhalation threshold of toxicological concern (TTC) – Structural alerts ...
Environ. Int.

More information is available here:

Updated Software

ChemProp - new download link

Important: The ChemProp download has been moved to a new server.

The current version is 6.3 (released on August 6 2015).

Be aware, older versions until 6.1 are expired already!

The change log is located here:

The license agreements as well as a poster about ChemProp (state of May 2012) are available for download:

Contact and News Feeds

Any questions to the department regarding internships as well as bachelor, master, diploma or dissertation theses):

Scheduled public department events, new ChemProp versions and new publications will be announced via news feeds.


Events

ChemProp

Publications

Top 3