Irina A. Duarte, Patrick Reis-Santos, Jerker Fick, Henrique N. Cabral, Bernardo Duarte & Vanessa F. Fonseca. (2023) Neuroactive pharmaceuticals in estuaries: Occurrence and tissue-specific bioaccumulation in multiple fish species. Environmental Pollution 316, pages 120531.
Crossref
Anna W. Sobańska. (2022) Affinity of Compounds for Phosphatydylcholine-Based Immobilized Artificial Membrane—A Measure of Their Bioconcentration in Aquatic Organisms. Membranes 12:11, pages 1130.
Crossref
Linda Bertato, Nicola Chirico & Ester Papa. (2022) Predicting the Bioconcentration Factor in Fish from Molecular Structures. Toxics 10:10, pages 581.
Crossref
Ling Zhang, Bryan W. Brooks, Fen Liu, Zhimin Zhou, Huizhen Li & Jing You. (2022) Human Apparent Volume of Distribution Predicts Bioaccumulation of Ionizable Organic Chemicals in Zebrafish Embryos. Environmental Science & Technology 56:16, pages 11547-11558.
Crossref
Irina A. Duarte, Jerker Fick, Henrique N. Cabral & Vanessa F. Fonseca. (2022) Bioconcentration of neuroactive pharmaceuticals in fish: Relation to lipophilicity, experimental design and toxicity in the aquatic environment. Science of The Total Environment 812, pages 152543.
Crossref
Fotios Tsopelas & Anna Tsantili‐Kakoulidou. 2021. Chemometrics and Cheminformatics in Aquatic Toxicology. Chemometrics and Cheminformatics in Aquatic Toxicology
201
225
.
Daniel Dobslaw, Bertram Kuch, Christine Woiski & Martina Kiel. 2021. Flame Retardant and Thermally Insulating Polymers. Flame Retardant and Thermally Insulating Polymers.
Yoshiyuki Kobayashi & Kenichi Yoshida. (2021) Development of QSAR models for prediction of fish bioconcentration factors using physicochemical properties and molecular descriptors with machine learning algorithms. Ecological Informatics 63, pages 101285.
Crossref
Purusottam Banjare, Balaji Matore, Jagadish Singh & Partha Pratim Roy. (2021) In silico local QSAR modeling of bioconcentration factor of organophosphate pesticides. In Silico Pharmacology 9:1.
Crossref
Weijun Guo, Yang Dai, Xiaoting Chu, Song Cui, Yeqing Sun, Yi-Fan Li & Hongliang Jia. (2021) Assessment bioaccumulation factor (BAF) of methyl siloxanes in crucian carp (Carassius auratus) around a siloxane production factory. Ecotoxicology and Environmental Safety 213, pages 111983.
Crossref
Daniel Dobslaw, Christine Woiski, Martina Kiel, Bertram Kuch & Jörn Breuer. (2020) Plant uptake, translocation and metabolism of PBDEs in plants of food and feed industry: A review. Reviews in Environmental Science and Bio/Technology 20:1, pages 75-142.
Crossref
Liqin Hu, Tingting Zhou, Dan Luo, Jingwen Feng, Yun Tao, Yusun Zhou & Surong Mei. (2019) Bioaccumulation of tetrabromobisphenol A in a laboratory-based fish–water system based on selective magnetic molecularly imprinted solid-phase extraction. Science of The Total Environment 650, pages 1356-1362.
Crossref
Meng Yang, Jiaming Hu, Liming Liu, Xiaotao Shi, Guoyong Liu & Yanxia Zuo. (2019) Accumulation and Elimination Kinetics of 2-Methylisoborneol in Crucian Carp (Carassius carassius). Wuhan University Journal of Natural Sciences 24:1, pages 57-63.
Crossref
Artur Radomyski, Elisa Giubilato, Nicoleta Alina Suciu, Andrea Critto & Philippe Ciffroy. 2018. Modelling the Fate of Chemicals in the Environment and the Human Body. Modelling the Fate of Chemicals in the Environment and the Human Body
191
213
.
Runxia Sun, Xiaojun Luo, Bin Tang, Laiguo Chen, Yu Liu & Bixian Mai. (2017) Bioaccumulation of short chain chlorinated paraffins in a typical freshwater food web contaminated by e-waste in south china: Bioaccumulation factors, tissue distribution, and trophic transfer. Environmental Pollution 222, pages 165-174.
Crossref
Michael Houbraken, Thomas Spranghers, Patrick De Clercq, Margot Cooreman-Algoed, Tasmien Couchement, Griet De Clercq, Sarah Verbeke & Pieter Spanoghe. (2016) Pesticide contamination of Tenebrio molitor (Coleoptera: Tenebrionidae) for human consumption. Food Chemistry 201, pages 264-269.
Crossref
Markus Brinkmann, Christian Schlechtriem, Mathias Reininghaus, Kathrin Eichbaum, Sebastian Buchinger, Georg Reifferscheid, Henner Hollert & Thomas G. Preuss. (2016) Cross-Species Extrapolation of Uptake and Disposition of Neutral Organic Chemicals in Fish Using a Multispecies Physiologically-Based Toxicokinetic Model Framework. Environmental Science & Technology 50:4, pages 1914-1923.
Crossref
Michael Matthies, Keith Solomon, Marco Vighi, Andy Gilman & Jose V. Tarazona. (2016) The origin and evolution of assessment criteria for persistent, bioaccumulative and toxic (PBT) chemicals and persistent organic pollutants (POPs). Environmental Science: Processes & Impacts 18:9, pages 1114-1128.
Crossref
Michiel Claessens, Frederik De Laender, Els Monteyne, Patrick Roose & Colin R. Janssen. (2015) Modelling the fate of micropollutants in the marine environment using passive sampling. Marine Pollution Bulletin 96:1-2, pages 103-109.
Crossref
T.J. Wallington, M.P. Sulbaek Andersen & O.J. Nielsen. (2015) Atmospheric chemistry of short-chain haloolefins: Photochemical ozone creation potentials (POCPs), global warming potentials (GWPs), and ozone depletion potentials (ODPs). Chemosphere 129, pages 135-141.
Crossref
Francesca Grisoni, Viviana Consonni, Sara Villa, Marco Vighi & Roberto Todeschini. (2015) QSAR models for bioconcentration: Is the increase in the complexity justified by more accurate predictions?. Chemosphere 127, pages 171-179.
Crossref
Caren Rauert, Anton Friesen, Georgia Hermann, Ulrich Jöhncke, Anja Kehrer, Michael Neumann, Ines Prutz, Jens Schönfeld, Astrid Wiemann, Karen Willhaus, Janina Wöltjen & Sabine Duquesne. (2014) Proposal for a harmonised PBT identification across different regulatory frameworks. Environmental Sciences Europe 26:1.
Crossref
Neus Rodriguez-Sanchez, Mark Timothy David Cronin, Adam Lillicrap, Judith Clare Madden, Przemyslaw Piechota & Knut Erik Tollefsen. (2014) Development of a list of reference chemicals for evaluating alternative methods to in vivo fish bioaccumulation tests. Environmental Toxicology and Chemistry 33:12, pages 2740-2752.
Crossref
Lei Zhao, Ning Gong, Dong Mi, Chundi Luan, Kuishuang Shao, Hongliang Jia & Yeqing Sun. (2014) Kinetics of stereoselective enrichment of Dechlorane Plus in Ulva Pertusa. Chemosphere 111, pages 580-586.
Crossref
Anna Lombardo, Alessandra Roncaglioni, Emilio Benfentati, Monika Nendza, Helmut Segner, Alberto Fernández, Ralph Kühne, Antonio Franco, Eduard Pauné & Gerrit Schüürmann. (2014) Integrated testing strategy (ITS) for bioaccumulation assessment under REACH. Environment International 69, pages 40-50.
Crossref
Rajni Garg & Carr J. Smith. (2014) Predicting the bioconcentration factor of highly hydrophobic organic chemicals. Food and Chemical Toxicology 69, pages 252-259.
Crossref
Nan An, Farid Van Der Mei & Adelina Voutchkova‐Kostal. (2014) Global Model for Octanol‐Water Partition Coefficients from Proton Nuclear Magnetic Resonance Spectra. Molecular Informatics 33:4, pages 286-292.
Crossref
Sun-Hong Lee, Jin-Sung Ra, Jae-Won Choi, Byung-Jin Yim, Myung-Sook Jung & Sang-Don Kim. (2014) Human health risks associated with dietary exposure to persistent organic pollutants (POPs) in river water in Korea. Science of The Total Environment 470-471, pages 1362-1369.
Crossref
Alexandre R. R. Péry, James Devillers, Céline Brochot, Enrico Mombelli, Olivier Palluel, Benjamin Piccini, François Brion & Rémy Beaudouin. (2013)
A Physiologically Based Toxicokinetic Model for the Zebrafish
Danio rerio
. Environmental Science & Technology 48:1, pages 781-790.
Crossref
Roy Thompson & Martin Vaughan. (2014) Medium-chain chlorinated paraffins (MCCPs): A review of bioaccumulation potential in the aquatic environment. Integrated Environmental Assessment and Management 10:1, pages 78-86.
Crossref
Monika Nendza, Silke Gabbert, Ralph Kühne, Anna Lombardo, Alessandra Roncaglioni, Emilio Benfenati, Romualdo Benigni, Cecilia Bossa, Sebastian Strempel, Martin Scheringer, Alberto Fernández, Robert Rallo, Francesc Giralt, Sabcho Dimitrov, Ovanes Mekenyan, Frank Bringezu & Gerrit Schüürmann. (2013) A comparative survey of chemistry-driven in silico methods to identify hazardous substances under REACH. Regulatory Toxicology and Pharmacology 66:3, pages 301-314.
Crossref
Yang Wen, Jia He, Xian Liu, Jinjie Li & Yuanhui Zhao. (2012) Linear and non-linear relationships between bioconcentration and hydrophobicity: Theoretical consideration. Environmental Toxicology and Pharmacology 34:2, pages 200-208.
Crossref
Omar DeebPadmakar V. KhadikarMohammad Goodarzi. (2010) QSPR Modeling of Bioconcentration Factors of Nonionic Organic Compounds. Environmental Health Insights 4, pages EHI.S5168.
Crossref
Toshio Fujita, Keiichiro Nishimura, Chiyozo Takayama, Masanori Yoshida & Matazaemon Uchida. 2010. Hayes' Handbook of Pesticide Toxicology. Hayes' Handbook of Pesticide Toxicology
1229
1252
.
Greig Fraser. (2009) Method for Determining the Bioconcentration Factor of Linear Alcohol Ethoxylates. Method for Determining the Bioconcentration Factor of Linear Alcohol Ethoxylates.
Yuzhou Luo & Minghua Zhang. (2009) Multimedia transport and risk assessment of organophosphate pesticides and a case study in the northern San Joaquin Valley of California. Chemosphere 75:7, pages 969-978.
Crossref
Hong Qin, JingWen Chen, Ying Wang, Bin Wang, XueHua Li, Fei Li & YaNan Wang. (2009) Development and assessment of quantitative structure-activity relationship models for bioconcentration factors of organic pollutants. Chinese Science Bulletin 54:4, pages 628-634.
Crossref
Shefali Kumar, Mohit Kumar, Kerstin Thurow, Regina Stoll & Udo Kragl. (2009) Fuzzy filtering for robust bioconcentration factor modelling. Environmental Modelling & Software 24:1, pages 44-53.
Crossref
Simón Gutiérrez, Carlos Fernández, Beate I. Escher & Jose Vicente Tarazona. (2008) A new hazard index of complex mixtures integrates bioconcentration and toxicity to refine the environmental risk assessment of effluents. Environment International 34:6, pages 773-781.
Crossref
Li-Tang Qin, Shu-Shen Liu, Hai-Ling Liu & Hui-Lin Ge. (2008) A new predictive model for the bioconcentration factors of polychlorinated biphenyls (PCBs) based on the molecular electronegativity distance vector (MEDV). Chemosphere 70:9, pages 1577-1587.
Crossref
Elena Alonso, Nathalie Tapie, Hélène Budzinski, Karyn Leménach, Laurent Peluhet & José V. Tarazona. (2007) A model for estimating the potential biomagnification of chemicals in a generic food web: Preliminary development. Environmental Science and Pollution Research 15:1, pages 31-40.
Crossref
Manuela Pavan, Tatiana I. Netzeva & Andrew P. Worth. (2008) Review of Literature-Based Quantitative Structure–Activity Relationship Models for Bioconcentration. QSAR & Combinatorial Science 27:1, pages 21-31.
Crossref
ShiHai Cui, Jing Yang, ShuShen Liu & LianSheng Wang. (2007) Predicting bioconcentration factor values of organic pollutants based on MEDV descriptors derived QSARs. Science in China Series B: Chemistry 50:5, pages 587-592.
Crossref
Anne V. Weisbrod, Lawrence P. Burkhard, Jon Arnot, Ovanes Mekenyan, Philip H. Howard, Christine Russom, Robert Boethling, Yuki Sakuratani, Theo Traas, Todd Bridges, Charles Lutz, Mark Bonnell, Kent Woodburn & Thomas Parkerton. (2007) Workgroup Report: Review of Fish Bioaccumulation Databases Used to Identify Persistent, Bioaccumulative, Toxic Substances. Environmental Health Perspectives 115:2, pages 255-261.
Crossref
E. Papa, J.C. Dearden & P. Gramatica. (2007) Linear QSAR regression models for the prediction of bioconcentration factors by physicochemical properties and structural theoretical molecular descriptors. Chemosphere 67:2, pages 351-358.
Crossref
G. Schüürmann, R.-U. Ebert, M. Nendza, J.C. Dearden, A. Paschke & R. Kühne. 2007. Risk Assessment of Chemicals. Risk Assessment of Chemicals
375
426
.
J.G.M. Van Engelen, P. J. Hakkinen, C. Money, M.G.J. Rikken & T.G. Vermeire. 2007. Risk Assessment of Chemicals. Risk Assessment of Chemicals
195
226
.
Jon A Arnot & Frank APC Gobas. (2006) A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms. Environmental Reviews 14:4, pages 257-297.
Crossref
Kuo-Ching Ma, Donald Mackay, Sum Chi Lee & Wan Ying Shiu. 2006. Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Second Edition. Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Second Edition
3196
3455
.
Peter Buchwald. (2005) General Linearized Biexponential Model for QSAR Data Showing Bilinear-Type Distribution. Journal of Pharmaceutical Sciences 94:11, pages 2355-2379.
Crossref
Paola Gramatica & Ester Papa. (2005) An Update of the BCF QSAR Model Based on Theoretical Molecular Descriptors. QSAR & Combinatorial Science 24:8, pages 953-960.
Crossref
Robert S. Boethling, Philip H. Howard & William M. Meylan. (2009) Finding and estimating chemical property data for environmental assessment. Environmental Toxicology and Chemistry 23:10, pages 2290-2308.
Crossref
John Dearden. 2004. Predicting Chemical Toxicity and Fate. Predicting Chemical Toxicity and Fate.
Melek Türker Saçan, Safiye Sag Erdem, Gül Altınbas Özpınar & Isıl Akmehmet Balcıoglu. (2004) QSPR Study on the Bioconcentration Factors of Nonionic Organic Compounds in Fish by Characteristic Root Index and Semiempirical Molecular Descriptors. Journal of Chemical Information and Computer Sciences 44:3, pages 985-992.
Crossref
Padmakar V. Khadikar, Shalini Singh, Dheeraj Mandloi, Sheela Joshi & Amrit V. Bajaj. (2003) QSAR study on bioconcentration factor (BCF) of polyhalogented biphenyls using the PI index. Bioorganic & Medicinal Chemistry 11:23, pages 5045-5050.
Crossref
Robert S. Boethling, Philip H. Howard & William M. Meylan. 2003. Encyclopedia of Agrochemicals. Encyclopedia of Agrochemicals.
Paola Gramatica & Ester Papa. (2003) QSAR Modeling of Bioconcentration Factor by theoretical molecular descriptors. QSAR & Combinatorial Science 22:3, pages 374-385.
Crossref
Jon A. Arnot & Frank A. P. C. Gobas. (2003) A Generic QSAR for Assessing the Bioaccumulation Potential of Organic Chemicals in Aquatic Food Webs. QSAR & Combinatorial Science 22:3, pages 337-345.
Crossref
Sabcho D. Dimitrov, Nadezhda C. Dimitrova, John D. Walker, Gilman D. Veith & Ovanes G. Mekenyan. (2003) Bioconcentration potential predictions based on molecular attributes – an early warning approach for chemicals found in humans, birds, fish and wildlife. QSAR & Combinatorial Science 22:1, pages 58-68.
Crossref
Epaminondas Voutsas, Kostis Magoulas & Dimitrios Tassios. (2002) Prediction of the bioaccumulation of persistent organic pollutants in aquatic food webs. Chemosphere 48:7, pages 645-651.
Crossref
James Devillers. 2002. Encyclopedia of Computational Chemistry. Encyclopedia of Computational Chemistry.
Padmakar V. Khadikar, Shalini Singh & Anjali Shrivastava. (2002) Novel estimation of lipophilic behaviour of polychlorinated biphenyls. Bioorganic & Medicinal Chemistry Letters 12:7, pages 1125-1128.
Crossref
Seung Kyu Kim, Dong Soo Lee & Jae Ryong Oh. (2002) Characteristics of trophic transfer of polychlorinated biphenyls in marine organisms in Incheon North Harbor, Korea. Environmental Toxicology and Chemistry 21:4, pages 834-841.
Crossref
L. Escuder-Gilabert, Y. Martı́n-Biosca, S. Sagrado, R.M. Villanueva-Camañas & M.J. Medina-Hernández. (2001) Biopartitioning micellar chromatography to predict ecotoxicity. Analytica Chimica Acta 448:1-2, pages 173-185.
Crossref
Dongbin Wei, Aiqian Zhang, Chunde Wu, Shuokui Han & Liansheng Wang. (2001) Progressive study and robustness test of QSAR model based on quantum chemical parameters for predicting BCF of selected polychlorinated organic compounds (PCOCs). Chemosphere 44:6, pages 1421-1428.
Crossref
Y. Martı́n-Biosca, L. Escuder-Gilabert, M.L. Marina, S. Sagrado, R.M. Villanueva-Camañas & M.J. Medina-Hernández. (2001) Quantitative retention- and migration-toxicity relationships of phenoxy acid herbicides in micellar liquid chromatography and micellar electrokinetic chromatography. Analytica Chimica Acta 443:2, pages 191-203.
Crossref
W.Z Wu, K.-W Schramm, Y Xu & A Kettrup. (2001) Accumulation and partition of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) in the muscle and liver of fish. Chemosphere 43:4-7, pages 633-641.
Crossref
Toshio Fujita, Keiichiro Nishimura, Chiyozo Takayama, Masanori Yoshida & Matazaemon Uchida. 2001. Handbook of Pesticide Toxicology. Handbook of Pesticide Toxicology
649
670
.
D. Mackay & A. Fraser. (2000) Bioaccumulation of persistent organic chemicals: mechanisms and models. Environmental Pollution 110:3, pages 375-391.
Crossref
Thomas F. Parkerton & Wolfgang J. Konkel. (2000) Application of Quantitative Structure–Activity Relationships for Assessing the Aquatic Toxicity of Phthalate Esters. Ecotoxicology and Environmental Safety 45:1, pages 61-78.
Crossref
William M. Meylan, Philip H. Howard, Robert S. Boethling, Dallas Aronson, Heather Printup & Sybil Gouchie. (2010) Improved method for estimating bioconcentration/bioaccumulation factor from octanol/water partition coefficient. Environmental Toxicology and Chemistry 18:4, pages 664-672.
Crossref
Aaron T. Fisk, Ross J. Norstrom, Chris D. Cymbalisty & Derek C.G. Muir. (1998) Dietary accumulation and depuration of hydrophobic organochlorines: Bioaccumulation parameters and their relationship with the octanol/water partition coefficient. Environmental Toxicology and Chemistry 17:5, pages 951-961.
Crossref
Bruce Hope, Susan Scatolini & Eric Titus. (1998) Bioconcentration of chlorinated biphenyls in biota from the North Pacific Ocean. Chemosphere 36:6, pages 1247-1261.
Crossref
Mary B. Swanson, Gary A. Davis, Lori E. Kincaid, Terry W. Schultz, John E. Bartmess, Sheila L. Jones & Emma Lou George. (2009) A screening method for ranking and scoring chemicals by potential human health and environmental impacts. Environmental Toxicology and Chemistry 16:2, pages 372-383.
Crossref
J. Devillers, S. Bintein & D. Domine. (1996) Comparison of BCF models based on log P. Chemosphere 33:6, pages 1047-1065.
Crossref
S. Bintein & J. Devillers. (1996) Evaluating the environmental fate of lindane in France. Chemosphere 32:12, pages 2427-2440.
Crossref
D. Domine, J. Devillers & W. Karcher. 1996. Neural Networks in QSAR and Drug Design. Neural Networks in QSAR and Drug Design
47
63
.
R P Moody & I Chu. (1995) Dermal exposure to environmental contaminants in the Great Lakes.. Environmental Health Perspectives 103:suppl 9, pages 103-114.
Crossref
Patricia Schmieder, Douglas Lothenbach, Joseph Tietge, Russell Erickson & Rodney Johnson. (2009)
[
3
H]‐2,3,7,8‐TCDD uptake and elimination kinetics of medaka (
Oryzias latipes
)
. Environmental Toxicology and Chemistry 14:10, pages 1735-1743.
Crossref
Rainer Franke, Andreas Gruska, James Devillers, Daniel Chessel, William J. DunnIIIIII, Svante Wold, Paul J. Lewi, Martyn Glenn Ford, David William Salt, Han van de Waterbeemd, James W. McFarland & Daniel J. Gans. 1995. Chemometric Methods in Molecular Design. Chemometric Methods in Molecular Design
113
308
.
J. Devillers, S. Bintein & W. Karcher. (1995) CHEMFRANCE: A regional level iii fugacity model applied to France. Chemosphere 30:3, pages 457-476.
Crossref