Safety and Environmental Group Publications

2012
Banimostafa, A., Papadokonstantakis, S., Hungerbühler, K.	Evaluation of EHS hazard and sustainability metrics during early process design stages using principal component analysis	Process Safety and Environmental Protection 90, 8–26	DOI
Buser, A.M., MacLeod, M., Scheringer, M., Mackay, D., Bonnell, M., Russell, M.H., DePinto, J.V., Hungerbühler, K.	Good modeling practice guidelines for applying multimedia models in chemical assessments	Integrated Environmental Assessment and Management, Accepted for Publication	DOI
Kartusch, C., Makosch, M., Sá, J., Hungerbühler, K., van Bokhoven, J.A.	The dynamic structure of gold supported on ceria in the liquid phase hydrogenation of nitrobenzene	ChemCatChem 4, 236–242	DOI
Maeda, N., Sano, S., Mallat, T., Hungerbühler, K., Baiker, A.	Heterogeneous asymmetric hydrogenation of activated ketones: mechanistic insight into the role of alcohol products by in situ modulation-excitation IR spectroscopy	The Journal of Physical Chemistry C 116, 4182–4188	DOI
Makosch, M., Kartusch, C., Sá, J., Duarte, R.B., von Bokhoven, J.A., Kvashnina, K., Glatzel, P., Fernandes, D.L.A., Nachtegaal, M., Kleymenov, E., Szlachetko, J., Neuhold, B., Hungerbühler, K.	HERFD XAS/ATR-FTIR batch reactor cell	Physical Chemistry Chemical Physics 14, 2164–2170	DOI
Makosch, M., Sá, J., Kartusch, C., Richner, G., van Bokhoven, J.A., Hungerbühler, K.	Hydrogenation of nitrobenzene over Au/MeOx catalysts—a matter of the support	ChemCatChem 4, 59–63	DOI
Meemken, F., Maeda, N., Hungerbühler, K., Baiker, A.	Heterogeneous asymmetric hydrogenation of prochiral alkenoic acid: origin of rate and enantioselectivity enhancement by amine addition	ACS Catalysis 2, 464–467	DOI
Paul, A.G., Scheringer, M., Hungerbühler, K., Loos, R., Jones, K.C., Sweetman, A.J.	Estimating the aquatic emissions and fate of perfluorooctane sulfonate (PFOS) into the river Rhine	Journal of Environmental Monitoring 14, 524–530	DOI
Roy, S., van Vekten, N., Maeda, N., Baiker, A.	NOx storage and reduction over M/MgAl₂O₄ (M = Pt, Pd, and Rh): A comparative study	Applied Catalysis B: Environmental, Accepted for Publication	DOI
Weir, A., Westerhoff, P., Fabricius, L., Hristovski, K., von Goetz, N.	Titanium dioxide nanoparticles in food and personal care products	Environmental Science & Technology 46, 2242−2250	DOI
Wernet, G., Hellweg, S., Hungerbühler, K.	A tiered approach to estimate inventory data and impactsof chemical products and mixtures	The International Journal of Life Cycle Assessment, Available Online	DOI
Wöhrnschimmel, H., Tay, P., von Waldow, H., Hung, H., Li, Y.-F., MacLeod, M., Hungerbühler, K.	Comparative assessment of the global fate of α- and β-hexachlorocyclohexane before and after phase-out	Environmental Science & Technology 46, 2047–2054	DOI
2011
Becker, L., Scheringer, M., Schenker, U., Hungerbühler, K.	Assessment of the environmental persistence and long-range transport of endosulfan	Environmental Pollution 159, 1737–1743	DOI
Bogdal, C., Bucheli, T.D., Agarwal, T., Anselmetti, F.S., Blum, F., Hungerbühler, K., Kohler, M., Schmid, P., Scheringer, M., Sobek, A.	Contrasting temporal trends and relationships of total organic carbon, black carbon, and polycyclic aromatic hydrocarbons in rural low-altitude and remote high-altitude lakes	Journal of Environmental Monitoring 13, 1316–1326	DOI
Bogdal, C., Schmid, P., Blüthgen, N., Anselmetti, F.S.	Gletscher als Speicher und Quellen von langlebigen Schadstoffen	Korrespondenz Wasserwirtschaft 2, 80–84	DOI
Bumann, A.A., Papadokonstantakis, S., Fischer, U., Hungerbühler, K.	Investigating the use of path flow indicators as optimization drivers in batch process retrofitting	Computers and Chemical Engineering 35, 2767–2785	DOI
Demou, E., Hellweg, S., Hungerbühler, K.	An occupational chemical priority list for future life cycle assessments	Journal of Cleaner Production 19, 1339–1346	DOI
Godany, T.A., Neuhold, Y.M., Hungerbühler, K.	Combined in situ monitoring method for analysis and optimization of the lithiation-fluoroacetylation of N-(4-chlorophenyl)-pivalamide	Industrial & Engineering Chemistry 50, 5982–5991	DOI
Godany, T.A., Neuhold, Y.M., Hungerbühler, K.	On-line reaction monitoring of lithiation of halogen substituted acetanilides via in-situ calorimetry, ATR spectrometry and endoscopy	Chimia 65, 253–255	DOI
Hoerger, C.C., Wettstein, F.E., Bachmann, H.J., Hungerbühler, K., Bucheli, T.D.	Occurrence and mass balance of isoflavones on an experimental grassland field	Environmental Science & Technology 45, 6752–6760	DOI
Hoerger, C.C., Wettstein F.E., Hungerbühler K., Bucheli T.D.	Quantification of five isoflavones and coumestrol in various solid agroenvironmental matrices using ¹³C₃-labeled internal standards	Journal of Agriculture and Food Chemistry 59, 847–85	DOI
Klánová, J., Diamond, M., Jones, K., Lammel, G., Lohmann, R., Pirrone, N., Scheringer, M., Balducci, C., Bidleman, T., Bláha, K., Bláha, L., Booij, K., Bouwman, H., Breivik, K., Eckhardt, S., Fiedler, H., Philippe, P., Harner, T., Holoubek, I., Hung, H., MacLeod, M., Magulova, K., Mosca, S., Pistocchi, A., Simonich, S., Smedes, F., Stephanou, E., Sweetman, A., Šebková, K., Venier, M., Vighi, M., Vrana, B., Wania, F., Weber, R., Weiss, P.	Identifying the research and infrastructure needs for the global assessment of hazardous chemicals ten years after establishing the Stockholm Convention	Environmental Science & Technology 45, 7617–7619	DOI
Lorenz, C., von Goetz, N., Scheringer, M., Wormuth, M., Hungerbühler, K.	Potential exposure of German consumers to engineered nanoparticles in cosmetics and personal care products	Nanotoxicology 5, 12–29	DOI
Lorenz, C., Hagendorfer, H., von Goetz, N., Kaegi, R., Gehrig R., Ulrich A., Scheringer, M., Hungerbühler, K.	Nanosized aerosols from consumer sprays: experimental analysis and exposure modeling for four commercial products	Journal of Nanoparticle Research 13, 3377–3391	DOI
MacLeod, M., von Waldow, H., Tay, P., Armitage, J.M., Wöhrnschimmel, H., Riley, W.J., McKone, T.E., Hungerbühler, K.	BETR global – a geographically-explicit global-scale multimedia contaminant fate model	Environmental Pollution 159, 1442–1445	DOI
Maeda, N., Hungerbühler, K., Baiker, A.	Asymmetric hydrogenation on chirally modified Pt: origin of hydrogen in the N-H-O interaction between cinchonidine and ketone	Journal of the American Chemical Society 133, 19567–19569	DOI
Müller, C.E., Gerecke, A.C., Alder, A.C., Scheringer, M., Hungerbühler, K.	Identification of perfluoroalkyl acid sources in Swiss surface waters with the help of the artificial sweetener acesulfame	Environmental Pollution 159, 1419–1426	DOI
Müller, C.E., De Silva, A.O., Small, J., Williamson, M., Wang, X., Morris, A., Katz, S., Gamberg, M., Muir, D.C.G.	Biomagnification of perfluorinated compounds in a remote terrestrial food chain: lichen–caribou–wolf	Environmental Science & Technology 45, 8665–8673	DOI
Müller, C.E., Spiess, N., Gerecke, A.C., Alder, A.C., Scheringer, M., Hungerbühler, K.	Quantifying diffuse and point inputs of perfluoroalkyl acids in a nonindustrial river catchment	Environmental Science & Technology 45, 9901–9909	DOI
Ng, C., Scheringer, M., Fenner, K., Hungerbühler, K.	A framework for evaluating the contribution of transformation products to chemical persistence in the environment	Environmental Science & Technology 45, 111–117	DOI
Ng, C.A., Gray, K.A.	Forecasting the effects of global change scenarios on bioaccumulation patterns in Great Lakes species	Global Change Biology 17, 720–733	DOI
Qureshi, A., MacLeod, M., Hungerbühler, K.	Quantifying uncertainties in the global mass balance of mercury	Global Biogeochemical Cycles 25, GB4012	DOI
Richner, G., van Bokhoven, J.A., Neuhold, J.M., Makosch, M., Hungerbühler, K.	In situ infrared monitoring of the solid/liquid catalyst interface during the three-phase hydrogenation of nitrobenzene over nanosized Au on TiO₂	Physical Chemistry Chemical Physics 13, 12463–12471	DOI
Ritter, R., Scheringer, M., MacLeod, M., Hungerbühler, K.	Assessment of non-occupational exposure to DDT in the tropics and in the north – relevance of uptake via inhalation from indoor residual spraying	Environmental Health Perspectives 119, 707–712	DOI
Ritter, R., Scheringer, M., MacLeod, M., Moeckel, C., Jones, K.C., Hungerbühler, K.	Intrinsic human elimination half-lives of polychlorinated biphenyls derived from the temporal evolution of cross-sectional biomonitoring data from the United Kingdom	Environmental Health Perspectives 119, 225–231	DOI
Schmid, P., Bogdal, C., Blüthgen, N., Anselmetti, F.S., Zwyssig, A., Hungerbühler, K.	The missing piece: sediment records in remote mountain lakes confirm glaciers being secondary sources of persistent organic pollutants	Environmental Science & Technology 45, 203–208	DOI
Simon, L.L., Elias, Y., Puxty, G., Artanto, Y., Hungerbühler, K.	Rate based modeling and validation of a carbon-dioxide pilot plant absorption column operating on monoethanolamine	Chemical Engineering Journal 157, 568–578, Special Issue on CO₂ Capture and Storage	DOI
Trudel, D., Scheringer, M., von Goetz, N., Hungerbühler, K.	Total consumer exposure to polybrominated diphenyl ethers in North America and Europe	Environmental Science & Technology 45, 2391–2397	DOI
Trudel, D., Tlustos, C., von Goetz, N., Scheringer, M., Reichert, P., Hungerbühler, K.	Exposure of the Irish population to PBDEs in food: consideration of parameter uncertainty and variability for risk assessment	Food Additives & Contaminants: Part A 28, 943–955	DOI
Trudel, D., Tlustos, C., von Goetz, N., Scheringer, M., Hungerbühler, K.	PBDE exposure from food in Ireland: optimising data exploitation in probabilistic exposure modelling	Journal of Exposure Science and Environmental Epidemiology 21, 565–575	DOI
Wang, Z., MacLeod, M., Cousins, I.T., Scheringer, M., Hungerbühler, K.	Using COSMOtherm to predict physicochemical properties of poly- and perfluorinated alkyl substances (PFAS)	Environmental Chemistry 8, 389–398	Link
Wernet, G., Mutel, C., Hellweg, S., Hungerbühler, K.	The environmental importance of energy use in chemical production	Journal of Industrial Ecology 15, 96–107	DOI
Zarfl, C., Scheringer, M., Matthies, M.	Screening criteria for long-range transport potential of organic substances in water	Environmental Science & Technology 45, 10075–10081	DOI
2010
Åberg, A., Tysklind, M., Nilsson, T., MacLeod, M., Hanberg, A., Andersson, R., Bergek, S., Lindberg, R., Wiberg, K.	Exposure assessment at a PCDD/F contaminated site in Sweden – field measurements of exposure media and blood serum analysis	Environmental Science & Pollution Research 17, 26–39	DOI
Albrecht T., Papadokonstantakis S., Sugiyama H., Hungerbühler K.	Demonstrating multi-objective screening of chemical batch process alternatives during early design phases	Engineering Research and Design, 88, 529–550	DOI
Bogdal, C., Nikolic, D., Lüthi, M., Schenker, U., Scheringer, M., Hungerbühler, K.	Release of legacy pollutants from melting glaciers: model evidence and conceptual understanding	Environmental Science & Technology 44, 4063–4069	DOI
Bogdal, C., Scheringer, M., Schmid, P., Bläuenstein, M., Kohler, M., Hungerbühler, K.	Levels, fluxes and time trends of persistent organic pollutants in Lake Thun, Switzerland: Combining trace analysis and multimedia modeling	The Science of the Total Environment 408, 3654–3663	DOI
Bogdal, C., Schmid, P., Anselmetti, F.S., Scheringer, M.	Lake sediments as evidence to the pollution	Nachrichten aus der Chemie 58, 561–564	DOI
Bumann, A.A., Papadokonstantakis, S., Sugiyama, H., Fischer, U., Hungerbühler, K.	Evaluation and analysis of a proxy indicator for the estimation of gate-to-gate energy consumption in the early process design phases: The case of organic solvent production	Energy 35, 2407–2418	DOI
Bumann, A.A., Papadokonstantakis, S., Fischer, U., Hungerbühler, K.	Optimisation of chemical batch process within a systematic retrofit framework including evaluation of historical process data	Chemical Engineering Transactions 21, 919–924	DOI
Clifford, S.E., Lawrance, G.A., Neuhold, Y.-M., Maeder, M.	Conjoint analysis of kinetic and equilibrium data for mechanistic elucidation in polynuclear complexation reactions, exemplified by metal(II) helicate complex formation	Australian Journal of Chemistry 63, 141–144	DOI
Gasic, B., MacLeod, M., Klanova, J., Scheringer, M., Ilic, P., Lammel, G., Pajovic, A., Breivik, K., Holoubek, I., Hungerbühler, K.	Quantification of sources of PCBs to the atmosphere in urban areas: A comparison of cities in North America, Western Europe and former Yugoslavia	Environmental Pollution 158, 3230–3235	DOI
Gasic, B., MacLeod, M., Scheringer, M., Hungerbühler, K.	Assessing the impact of weather events at mid-latitudes on the atmospheric transport of chemical pollutants using a 2-dimensional multimedia meteorological model	Atmospheric Environment 44, 4489–4496	DOI
Hagendorfer, H., Lorenz, C., Kägi, R., Sinnet, B., Gehrig, R., von Goetz, N., Scheringer. M., Ludwig, C., Ulrich, A.	Size-fractionated characterization and quantification of nanoparticle release rates from a consumer spray product containing engineered nanoparticles	Journal of Nanoparticle Research 12, 2481–2494	DOI
Huijbregts, M.A.J., Hellweg, S., Frischknecht, R., Hendriks, H.W.M., Hungerbühler, K., Hendriks, A.J.	Cumulative energy demand as predictor for the environmental burden of commodity production	Environmental Science & Technology 44, 2189–2196	DOI
Kolpin, D.W., Hoerger, C.C., Meyer, M.T., Wettstein, F.E., Hubbard, L.E., Bucheli, T.D.	Phytoestrogens and mycotoxins in Iowa streams: an examination of underinvestigated compounds in agricultural basins	Journal of Environmental Quality 39, 2089–2099	DOI
Lorenz, C., Tiede, K., Tear, S., Boxall, A., von Goetz, N., Hungerbühler, K.	Imaging and characterization of engineered nanoparticles in sunscreens by electron microscopy, under wet and dry conditions	International Journal of Occupational and Environmental Health 16, 406-428	Link
MacLeod, M., Scheringer, M., McKone, T.E., Hungerbühler, K.	The state of multimedia mass-balance modeling in environmental science and decision-making	Environmental Science & Technology 44, 8360–8364	DOI
Moeckel, C., Gasic, B., MacLeod, M., Scheringer, M., Jones, K.C., Hungerbühler, K.	Estimation of the source strength of polybrominated diphenyl ethers based on their diel variability in air in Zurich, Switzerland	Environmental Science & Technology 44, 4225–4231	DOI
Nizzetto, L., MacLeod, M., Borga, K., Cabrerizo, A., Dachs, J., Di Guardo, A., Ghirardello, D, Hansen, K.M., Jarvis, A., Lindroth, A., Ludwig, B., Monteith, D., Perlinger, J.A., Scheringer, M., Schwendenmann, L., Semple, T., Wick, L.Y., Zhang, G., Jonex, K.C.	Past, present, and future controls on levels of persistent organic pollutants in the global environment	Environmental Science & Technology 44, 6526–6531	DOI
Qureshi, A., O’Driscoll, N., MacLeod, M., Neuhold, Y.-M., Hungerbühler, K.	Photoreactions of mercury in surface ocean water: gross reaction kinetics and possible pathways	Environmental Science & Technology 44, 644–649	DOI
Richner G., Neuhold Y.-M., Hungerbühler K.	Non-isothermal calorimetry for fast thermokinetic reaction analysis: solvent-free esterification of n-butanol by acetic anhydride	Organic Process Research & Development 14, 524–536	DOI
Scheringer, M.	Von der Erkenntnis zur Entscheidung – was kann und soll die Umweltforschung bewirken?	Umweltwissenschaften & Schadstofforschung 22, 297–301
Scheringer, M., MacLeod, M., Behra, T., Sigg, L., Hungerbühler, K.	Environmental-risks associated with nanoparticulate silver used as biocide	Household & Personal Care Today 1/2010, 34–37
Schuster, J.K., Gioia, R., Breivik, K., Steinnes, E., Scheringer. M., Jones, K.C.	Trends in European background air reflect reductions in primary emissions of PCBs and PBDEs	Environmental Science & Technology 44, 6760–6766	DOI
Simon, L., Hungerbühler, K.	Industrial batch dryer data mining using intelligent pattern classifiers: neural network, neuro-fuzzy and Takagi-Sugeno fuzzy models	Chemical Engineering Journal, 157, 568–578	DOI
Simon, L.L., Abbou Oucherif, K., Nagy, Z.K., Hungerbühler, K.	Histogram matching, hypothesis testing and statistical control chart assisted nucleation detection using bulk video imaging for optimal switching between nucleation and seed conditioning steps	Industrial & Engineering Chemistry Research 49, 9932–9944	DOI
Simon, L. L., Abbou Oucherif, K., Nagy Z.K., Hungerbühler, K.	Bulk video imaging based multivariate image analysis, process control chart and acoustic signal assisted nucleation detection	Chemical Engineering Science 65, 4983–4995	DOI
von Goetz, N., Wormuth, M., Scheringer, M., Hungerbühler, K	Bisphenol A: How the most relevant exposure sources contribute to total consumer exposure	Risk Analysis 30, 473–487	DOI
von Waldow, H., MacLeod, M., Jones, K., Scheringer, M, Hungerbühler, K.	Remoteness from emission sources explains the fractionation pattern of polychlorinated biphenyls in the Northern Hemisphere	Environmental Science & Technology 44, 6183–6188	DOI
von Waldow, H., MacLeod, M., Scheringer, M., Hungerbühler, K.	Quantifying remoteness from emission sources of persistent organic pollutants on a global scale	Environmental Science & Technology 44, 2791–2796	DOI
Wernet, G., Conradt, S., Isenring, H.P., Jiménez-González, C., Hungerbühler, K	Life cycle assessment of fine chemical production: a case study of pharmaceutical synthesis	International Journal of Life Cycle Assessment 15, 294–303	DOI
Wöhrnschimmel, H., Magaña, M., Stahel, W.A., Blanco, S., Acuña, S., Pérez, J.M., González, S., Gutiérrez, V., Wakamatsu, S., Cárdenas, B.	Measurements and receptor modeling of volatile organic compounds in Southeastern Mexico City, 2000–2007	Atmospheric Chemistry and Physics 10, 9027–9037	DOI

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