References
Recent Publications
Available Online
Buist H, Aldenberg T, Batke M, Escher S, 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., in press.
DOI: 10.1016/j.yrtph.2013.01.002
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., in press.DOI: 10.1016/j.yrtph.2013.02.004
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., in press.DOI: 10.1016/j.yrtph.2013.05.007
2013
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
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
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
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
2012
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
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
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