2024 (3)

• Dahley, C., Böckmann, T., Ebert, A., Goss, K.-U. (2024):
  Predicting the intrinsic membrane permeability of Caco-2/MDCK cells by the solubility-diffusion model
  Eur. J. Pharm. Sci. 195 , art. 106720 10.1016/j.ejps.2024.106720
• Ebert, A., Dahley, C., Goss, K.-U. (2024):
  Pitfalls in evaluating permeability experiments with Caco-2/MDCK cell monolayers
  Eur. J. Pharm. Sci. 194 , art. 106699 10.1016/j.ejps.2024.106699
• Kotze, S., Ebert, A., Goss, K.-U. (2024):
  Effects of aqueous boundary layers and paracellular transport on the efflux ratio as a measure for active transport across cell layers
  Pharmaceutics 16 (1), art. 132 10.3390/pharmaceutics16010132

2023 (4)

• Dahley, C., Goss, K.-U., Ebert, A. (2023):
  Revisiting the pK_a-Flux method for determining intrinsic membrane permeability
  Eur. J. Pharm. Sci. 191 , art. 106592 10.1016/j.ejps.2023.106592
• Ebert, A., Ackermann, J., Goss, K.-U. (2023):
  Mechanistic modeling of the bioconcentration of (super)hydrophobic compounds in Hyalella azteca
  Environ. Sci. Pollut. Res. 30 (17), 50257 - 50268 10.1007/s11356-023-25827-7
• Goss, K.-U. (2023):
  Reply to the commentary on “Mantrailing as evidence in court?” [Forensic Sci. Int. Rep. 3 (2021) 100204]
  Forensic Sci. Int. Rep. 7 , art. 100308 10.1016/j.fsir.2023.100308
• Goss, K.-U., Ebert, A. (2023):
  Bioaccumulation assessment of superhydrophobic substances. Final report
  Texte Umweltbundesamt 40/2023
  Umweltbundesamt, Dessau-Roßlau, 59 pp.

2022 (2)

• Dahley, C., Garessus, E.D.G., Ebert, A., Goss, K.-U. (2022):
  Impact of cholesterol and sphingomyelin on intrinsic membrane permeability
  Biochim. Biophys. Acta-Biomembr. 1864 (9), art. 183953 10.1016/j.bbamem.2022.183953
• Ebert, A., Goss, K.U. (2022):
  Screening of 6000 compounds for uncoupling activity: a comparison between a mechanistic biophysical model and the structural alert profiler Mitotox
  Toxicol. Sci. 185 (2), 208 - 219 10.1093/toxsci/kfab139

2021 (8)

• Allendorf, F., Goss, K.-U., Ulrich, N. (2021):
  Estimating the equilibrium distribution of perfluoroalkyl acids (PFAAs) and four of their alternatives in mammals
  Environ. Toxicol. Chem. 40 (3), 910 - 920 10.1002/etc.4954
• Ebert, A., Goss, K.-U. (2021):
  Model for protonophoric uncoupling: explaining discrepancies between BLM and mitochondria
  Eur. Biophys. J. Biophys. Lett. 50 (Suppl. 1), 126 - 126 10.1007/s00249-021-01558-w
• Goss, K.-U. (2021):
  Mantrailing as evidence in court?
  Forensic Sci. Int. Rep. 3 , art. 100204 10.1016/j.fsir.2021.100204
• Goss, K.-U., Schoon, A. (2021):
  Concerns regarding “Individual human scent as a forensic identifier using mantrailing”, Forensic Science International Volume 282, January 2018, Pages 111–121
  Forensic Sci. Int. 318 , art. 110606 10.1016/j.forsciint.2020.110606
• Krause, S., Goss, K.-U. (2021):
  Could chemical exposure and bioconcentration in fish be affected by slow binding kinetics in blood?
  Environ. Sci.-Process Impacts 23 (5), 714 - 722 10.1039/D1EM00056J
• Krause, S., Goss, K.-U. (2021):
  Relevance of desorption kinetics and permeability for in vitro-based predictions of hepatic clearance in fish
  Aquat. Toxicol. 235 , art. 105825 10.1016/j.aquatox.2021.105825
• Krause, S., Goss, K.-U. (2021):
  Prediction of unbound fractions for in vitro–in vivo extrapolation of biotransformation data
  Chem. Res. Toxicol. 34 (1), 7 - 11 10.1021/acs.chemrestox.0c00349
• Ulrich, N., Goss, K.U., Ebert, A. (2021):
  Exploring the octanol-water partition coefficient dataset using deep learning techniques and data augmentation
  Comm. Chem. 4 , art. 90 10.1038/s42004-021-00528-9

2020 (6)

• Ebert, A., Allendorf, F., Berger, U., Goss, K.-U., Ulrich, N. (2020):
  Membrane/water partitioning and permeabilities of perfluoroalkyl acids and four of their alternatives and the effects on toxicokinetic behavior
  Environ. Sci. Technol. 54 (8), 5051 - 5061 10.1021/acs.est.0c00175
• Ebert, A., Goss, K.-U. (2020):
  Predicting uncoupling toxicity of organic acids based on their molecular structure using a biophysical model
  Chem. Res. Toxicol. 33 (7), 1835 - 1844 10.1021/acs.chemrestox.0c00063
• Halbach, K., Ulrich, N., Goss, K.-U., Seiwert, B., Wagner, S., Scholz, S., Luckenbach, T., Bauer, C., Schweiger, N., Reemtsma, T. (2020):
  Yolk sac of zebrafish embryos as backpack for chemicals?
  Environ. Sci. Technol. 54 (16), 10159 - 10169 10.1021/acs.est.0c02068
• Krause, S., Goss, K.-U. (2020):
  Comparison of a simple and a complex model for BCF prediction using in vitro biotransformation data
  Chemosphere 256 , art. 127048 10.1016/j.chemosphere.2020.127048
• Schwöbel, J.A.H., Ebert, A., Bittermann, K., Huniar, U., Goss, K.-U., Klamt, A. (2020):
  COSMOperm: Mechanistic prediction of passive membrane permeability for neutral compounds and ions and its pH dependence
  J. Phys. Chem. B 124 (16), 3343 - 3354 10.1021/acs.jpcb.9b11728
• Ulrich, N., Schweiger, N., Pfennigsdorff, A., Scholz, S., Goss, K.-U. (2020):
  Yolk–water partitioning of neutral organic compounds in the model organism Danio rerio
  Environ. Toxicol. Chem. 39 (8), 1506 - 1516 10.1002/etc.4744

2019 (7)

• Allendorf, F., Berger, U., Goss, K.-U., Ulrich, N. (2019):
  Partition coefficients of four perfluoroalkyl acid alternatives between bovine serum albumin (BSA) and water in comparison to ten classical perfluoroalkyl acids
  Environ. Sci.-Process Impacts 21 (11), 1852 - 1863 10.1039/c9em00290a
• Goss, K.-U. (2019):
  Comment on “Individual human scent as a forensic identifier using mantrailing”
  Forensic Sci. Int. 297 , e19 10.1016/j.forsciint.2019.02.024
• Goss, K.-U. (2019):
  Comment on “Estimating the Bioconcentration Factors of Hydrophobic Organic Compounds from Biotransformation Rates Using Rainbow Trout Hepatocytes” by Trowell et al. in AECT
  Arch. Environ. Contam. Toxicol 76 (1), 153 - 153 10.1007/s00244-018-0553-7
• Goss, K.-U. (2019):
  The physical chemistry of odors — Consequences for the work with detection dogs
  Forensic Sci. Int. 296 , 110 - 114 10.1016/j.forsciint.2019.01.023
• Henneberger, L., Goss, K.-U. (2019):
  Environmental sorption behavior of ionic and ionizable organic chemicals
  In: de Voogt, P. (ed.)
  Reviews of Environmental Contamination and Toxicology 253
  Springer, New York, p. 43 - 64 10.1007/398_2019_37
• Kopinke, F.-D., Georgi, A., Goss, K.-U. (2019):
  Comment on "Re-evaluation of the century-old Langmuir isotherm for modeling adsorption phenomena in solution", published by Azizian et al. [Chemical physics 513 (2018) 99–104]
  Chem. Phys. 517 , 265 - 267 10.1016/j.chemphys.2018.10.007
• Salthammer, T., Goss, K.-U. (2019):
  Predicting the gas/particle distribution of SVOCs in the indoor environment using poly parameter linear free energy relationships
  Environ. Sci. Technol. 53 (5), 2491 - 2499 10.1021/acs.est.8b06585

2018 (13)

• Bittermann, K., Linden, L., Goss, K.-U. (2018):
  Screening tools for the bioconcentration potential of monovalent organic ions in fish
  Environ. Sci.-Process Impacts 20 (5), 845 - 853 10.1039/c8em00084k
• Ebert, A., Hannesschlaeger, C., Goss, K.-U., Pohl, P. (2018):
  Passive permeability of planar lipid bilayers to organic anions
  Biophys. J. 115 (10), 1931 - 1941 10.1016/j.bpj.2018.09.025
• Fischer, F.C., Cirpka, O.A., Goss, K.-U., Henneberger, L., Escher, B.I. (2018):
  Application of experimental polystyrene partition constants and diffusion coefficients to predict the sorption of neutral organic chemicals to multiwell plates in in vivo and in vitro bioassays
  Environ. Sci. Technol. 52 (22), 13511 - 13522 10.1021/acs.est.8b04246
• Goss, K.U., Bittermann, K. (2018):
  Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model
  Naunyn-Schmiedebergs Arch. Pharmacol. 391 (Suppl. 1), S14 - S14 10.1007/s00210-018-1477-5
• Goss, K.-U., Bittermann, K., Henneberger, L., Linden, L. (2018):
  Equilibrium biopartitioning of organic anions - A case study for humans and fish
  Chemosphere 199 , 174 - 181 10.1016/j.chemosphere.2018.02.026
• Goss, K.-U., Linden, L., Ulrich, N., Schlechtriem, C. (2018):
  Revisiting elimination half live as an indicator for bioaccumulation in fish and terrestrial mammals
  Chemosphere 210 , 341 - 346 10.1016/j.chemosphere.2018.07.017
• Kopinke, F.-D., Georgi, A., Goss, K.-U. (2018):
  Comment on "Mistakes and inconsistencies regarding adsorption of contaminants from aqueous solutions: A critical review, published by Tran et al. [Water Research 12, 2017, 88-116]"
  Water Res. 129 , 520 - 521 10.1016/j.watres.2017.09.055
• Krause, S., Goss, K.-U. (2018):
  The impact of desorption kinetics from albumin on hepatic extraction efficiency and hepatic clearance: a model study
  Arch. Toxicol. 92 (7), 2175 - 2182 10.1007/s00204-018-2224-x
• Krause, S., Goss, K.-U. (2018):
  In vitro–in vivo extrapolation of hepatic metabolism for different scenarios - a toolbox
  Chem. Res. Toxicol. 31 (11), 1195 - 1202 10.1021/acs.chemrestox.8b00187
• Krause, S., Ulrich, N., Goss, K.-U. (2018):
  Desorption kinetics of organic chemicals from albumin
  Arch. Toxicol. 92 (3), 1065 - 1074 10.1007/s00204-017-2117-4
• Larisch, W., Goss, K.-U. (2018):
  Modelling oral up-take of hydrophobic and super-hydrophobic chemicals in fish
  Environ. Sci.-Process Impacts 20 (1), 98 - 104 10.1039/c7em00495h
• Larisch, W., Goss, K.-U. (2018):
  Uptake, distribution and elimination of chemicals in fish – Which physiological parameters are the most relevant for toxicokinetics?
  Chemosphere 210 , 1108 - 1114 10.1016/j.chemosphere.2018.07.112
• Wang, C., Wania, F., Goss, K.-U. (2018):
  Is secondary organic aerosol yield governed by kinetic factors rather than equilibrium partitioning?
  Environ. Sci.-Process Impacts 20 (1), 245 - 252 10.1039/c7em00451f

2017 (10)

• Awonaike, B., Wang, C., Goss, K.-U., Wania, F. (2017):
  Quantifying the equilibrium partitioning of substituted polycyclic aromatic hydrocarbons in aerosols and clouds using COSMOtherm
  Environ. Sci.-Process Impacts 19 (3), 288 - 299 10.1039/c6em00636a
• Bittermann, K., Goss, K.-U. (2017):
  Assessing the toxicity of ionic liquids – Application of the critical membrane concentration approach
  Chemosphere 183 , 410 - 418 10.1016/j.chemosphere.2017.05.097
• Bittermann, K., Goss, K.-U. (2017):
  Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model
  PLOS One 12 (12), e0190319 10.1371/journal.pone.0190319
• Bittermann, K., Spycher, S., Goss, K.-U. (2017):
  Erratum to “Comparison of different models predicting the phospholipid-membrane water partition coefficients of charged compounds” [Chemosphere 144C (2016) 382–391]
  Chemosphere 179 , 405 - 406 10.1016/j.chemosphere.2017.03.132
• Fischer, F.C., Henneberger, L., König, M., Bittermann, K., Linden, L., Goss, K.-U., Escher, B.I. (2017):
  Modeling exposure in the Tox21 in vitro bioassays
  Chem. Res. Toxicol. 30 (5), 1197 - 1208 10.1021/acs.chemrestox.7b00023
• Larisch, W., Brown, T.N., Goss, K.-U. (2017):
  A toxicokinetic model for fish including multiphase sorption features
  Environ. Toxicol. Chem. 36 (6), 1538 - 1546 10.1002/etc.3677
• Larisch, W., Goss, K.-U. (2017):
  Calculating the first-order kinetics of three coupled, reversible processes
  SAR QSAR Environ. Res. 28 (8), 651 - 659 10.1080/1062936X.2017.1365763
• Linden, L., Goss, K.-U., Endo, S. (2017):
  3D-QSAR predictions for bovine serum albumin–water partition coefficients of organic anions using quantum mechanically based descriptors
  Environ. Sci.-Process Impacts 19 (3), 261 - 269 10.1039/c6em00555a
• Linden, L., Goss, K.-U., Endo, S. (2017):
  3D-QSAR predictions for α-cyclodextrin binding constants using quantum mechanically based descriptors
  Chemosphere 169 , 693 - 699 10.1016/j.chemosphere.2016.11.115
• Wang, C., Yuan, T., Wood, S.A., Goss, K.-U., Li, J., Ying, Q., Wania, F. (2017):
  Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products
  Atmos. Chem. Phys. 17 , 7529 - 7540 10.5194/acp-17-7529-2017

2016 (5)

• Bittermann, K., Spycher, S., Goss, K.-U. (2016):
  Comparison of different models predicting the phospholipid-membrane water partition coefficients of charged compounds
  Chemosphere 144 , 382 - 391 10.1016/j.chemosphere.2015.08.065
• Goss, K.-U., Endo, S. (2016):
  Comment on "Application of the activity framework for assessing aquatic ecotoxicology data for organic chemicals"
  Environ. Sci. Technol. 50 (7), 4139 - 4140 10.1021/acs.est.5b05534
• Henneberger, L., Goss, K.-U., Endo, S. (2016):
  Partitioning of organic ions to muscle protein: experimental data, modeling, and implications for in vivo distribution of organic ions
  Environ. Sci. Technol. 50 (13), 7029 - 7036 10.1021/acs.est.6b01417
• Henneberger, L., Goss, K.-U., Endo, S. (2016):
  Equilibrium sorption of structurally diverse organic ions to bovine serum albumin
  Environ. Sci. Technol. 50 (10), 5119 - 5126 10.1021/acs.est.5b06176
• Linden, L., Goss, K.-U., Endo, S. (2016):
  Exploring 3D structural influences of aliphatic and aromatic chemicals on α-cyclodextrin binding
  J. Colloid Interface Sci. 468 , 42 - 50 10.1016/j.jcis.2016.01.032

2015 (4)

• Endo, S., Brown, T.N., Goss, K.-U. (2015):
  Comments on "A simple method for estimating in vitro air-tissue and in vivo blood–tissue partition coefficients" by Abraham, Gala, Ibrahim, Acree and Liu
  Chemosphere 120 , 793 - 796 10.1016/j.chemosphere.2014.10.051
• Geisler, A., Oemisch, L., Endo, S., Goss, K.-U. (2015):
  Predicting storage-lipid water partitioning of organic solutes from molecular structure
  Environ. Sci. Technol. 49 (9), 5538 - 5545 10.1021/es506336m
• Wang, C., Goss, K.-U., Lei, Y.D., Abbatt, J.P.D., Wania, F. (2015):
  Calculating equilibrium phase distribution during the formation of secondary organic aerosol using COSMOtherm
  Environ. Sci. Technol. 49 (14), 8585 - 8594 10.1021/acs.est.5b01584
• Wania, F., Lei, Y.D., Wang, C., Abbatt, J.P.D., Goss, K.-U. (2015):
  Using the chemical equilibrium partitioning space to explore factors influencing the phase distribution of compounds involved in secondary organic aerosol formation
  Atmos. Chem. Phys. 15 (6), 3395 - 3412 10.5194/acp-15-3395-2015

2014 (9)

• Bittermann, K., Spycher, S., Endo, S., Pohler, L., Huniar, U., Goss, K.-U., Klamt, A. (2014):
  Prediction of phospholipid−water partition coefficients of ionic organic chemicals using the mechanistic model COSMOmic
  J. Phys. Chem. B 118 (51), 14833 - 14842 10.1021/jp509348a
• Endo, S., Goss, K.-U. (2014):
  Applications of polyparameter linear free energy relationships in environmental chemistry
  Environ. Sci. Technol. 48 (21), 12477 - 12491 10.1021/es503369t
• Endo, S., Goss, K.-U. (2014):
  Predicting partition coefficients of polyfluorinated and organosilicon compounds using polyparameter linear free energy relationships (PP-LFERs)
  Environ. Sci. Technol. 48 (5), 2776 - 2784 10.1021/es405091h
• Oemisch, L., Goss, K.-U., Endo, S. (2014):
  Ion exchange membranes as novel passive sampling material for organic ions: Application for the determination of freely dissolved concentrations
  J. Chromatogr. A 1370 , 17 - 24 10.1016/j.chroma.2014.10.041
• Praetorius, A., Tufenkji, N., Goss, K.-U., Scheringer, M., von der Kammer, F., Elimelech, M. (2014):
  The road to nowhere: equilibrium partition coefficients for nanoparticles
  Environ. Sci.-Nano 1 (4), 317 - 323 10.1039/c4en00043a
• Schoon, A., Fjellanger, R., Kjeldsen, C., Goss, K.-U. (2014):
  Using dogs to detect hidden corrosion
  Appl. Anim. Behav. Sci. 153 , 43 - 52 10.1016/j.applanim.2014.01.001
• Schoon, A., Fjellanger, R., Kjeldsen, M., Goss, K.-U. (2014):
  DOG TEST Detecting corrosion under insulation using trained dogs: a novel approach
  Mater. Eval. 72 (2), 142 - 148
• Stenzel, A., Goss, K.-U., Endo, S. (2014):
  Prediction of partition coefficients for complex environmental contaminants: Validation of COSMOtherm, ABSOLV, and SPARC
  Environ. Toxicol. Chem. 33 (7), 1537 - 1543 10.1002/etc.2587
• Wania, F., Lei, Y.D., Wang, C., Abbatt, J.P.D., Goss, K.-U. (2014):
  Novel methods for predicting gas–particle partitioning during the formation of secondary organic aerosol
  Atmos. Chem. Phys. 14 (23), 13189 - 13204 10.5194/acp-14-13189-2014

2013 (13)

• Brown, T.N., Stenzel, A., Goss, K.-U. (2013):
  Assessing the reliability of QSAR predictions for structurally complex chemicals
  Abstr. Paper Am. Chem. Soc. 246 , 64-ENVR
• Droge, S.T.J., Goss, K.-U. (2013):
  Development and evaluation of a new sorption model for organic cations in soil: contributions from organic matter and clay minerals
  Environ. Sci. Technol. 47 (24), 14233 - 14241 10.1021/es4031886
• Droge, S.T.J., Goss, K.-U. (2013):
  Sorption of organic cations to phyllosilicate clay minerals: CEC-normalization, salt dependency, and the role of electrostatic and hydrophobic effects
  Environ. Sci. Technol. 47 (24), 14224 - 14232 10.1021/es403187w
• Droge, S.T.J., Goss, K.-U. (2013):
  Ion-exchange affinity of organic cations to natural organic matter: influence of amine type and nonionic interactions at two different pHs
  Environ. Sci. Technol. 47 (2), 798 - 806 10.1021/es3033499
• Endo, S., Brown, T.N., Goss, K.-U. (2013):
  General model for estimating partition coefficients to organisms and their tissues using the biological compositions and polyparameter linear free energy relationships
  Environ. Sci. Technol. 47 (12), 6630 - 6639 10.1021/es401772m
• Endo, S., Geisler, A., Goss, K.-U. (2013):
  Response to the comment on "Partitioning of polar and non-polar neutral organic chemicals into human and cow milk"
  Environ. Int. 61 , 154 - 154 10.1016/j.envint.2013.09.003
• Endo, S., Goss, K.-U. (2013):
  Applications of polyparameter linear free energy relationships (PP-LFERs) for evaluating environmentally relevant partition coefficients of organic chemicals
  Abstr. Paper Am. Chem. Soc. 246 , 67-ENVR
• Goss, K.-U., Brown, T.N., Endo, S. (2013):
  Elimination half-life as a metric for the bioaccumulation potential of chemicals in aquatic and terrestrial food chains
  Environ. Toxicol. Chem. 32 (7), 1663 - 1671 10.1002/etc.2229
• McNeill, K., Hofstetter, T.B., Goss, K.-U., Escher, B. (2013):
  A tribute to René P. Schwarzenbach
  Environ. Sci. Technol. 47 (13), 6725 - 6727 10.1021/es402221r
• Oemisch, L., Goss, K.-U., Endo, S. (2013):
  Determination of oil–water partition coefficients of polar compounds: silicone membrane equilibrator vs. SPME passive sampler
  Anal. Bioanal. Chem. 405 (8), 2567 - 2574 10.1007/s00216-012-6689-9
• Schneider, M., Endo, S., Goss, K.-U. (2013):
  Volatilization of pesticides from the bare soil surface: evaluation of the humidity effect
  J. Environ. Qual. 42 (3), 844 - 851 10.2134/jeq2012.0320
• Stenzel, A., Goss, K.-U., Endo, S. (2013):
  Experimental determination of polyparameter linear free energy relationship (pp-LFER) substance descriptors for pesticides and other contaminants: new measurements and recommendations
  Environ. Sci. Technol. 47 (24), 14204 - 14214 10.1021/es404150e
• Stenzel, A., Goss, K.U., Endo, S. (2013):
  Determination of polyparameter linear free energy relationship (pp-LFER) substance descriptors for established and alternative flame retardants
  Environ. Sci. Technol. 47 (3), 1399 - 1406 10.1021/es304780a