Addressing the complexity of water chemistry in environmental fate modeling for engineered nanoparticles

Science of the Total Environment

Volumn 535, Issue , 2015, Pages 150-159

  Sani Kast, Nicole ^a   Scheringer, Martin ^a,b   Slomberg, Danielle ^c,d   Labille, Jérôme ^c,d   Praetorius, Antonia ^a   Ollivier, Patrick ^e   Hungerbühler, Konrad ^a  

^a ETH ZURICH   (Switzerland)

^b LEUPHANA UNIVERSITY OF LÜNEBURG   (Germany)

^c AIX MARSEILLE UNIVERSITY   (France)

^d ICEINT   (France)

^e BRGM   (France)

Author keywords

Engineered nanoparticles; Environmental fate modeling; Environmental variability; Nanoparticle fate assessment; River systems; TiO2

Indexed keywords

AGGLOMERATION; CLUSTER ANALYSIS; HYDROCHEMISTRY; RIVERS; TITANIUM DIOXIDE;

ENGINEERED NANOPARTICLES; ENVIRONMENTAL FATE MODELS; ENVIRONMENTAL VARIABILITY; RIVER SYSTEMS; TIO;

NANOPARTICLES;

TITANIUM DIOXIDE NANOPARTICLE; NANOPARTICLE; POLLUTANT;

COMPLEXITY; ENVIRONMENTAL CONDITIONS; ENVIRONMENTAL FATE; FUTURE PROSPECT; POLLUTANT SOURCE; POLLUTANT TRANSPORT; RIVER POLLUTION; RIVER WATER; WATER QUALITY;

AQUATIC ENVIRONMENT; ARTICLE; BIOACCUMULATION; CLUSTER ANALYSIS; CONCENTRATION (PARAMETERS); ENVIRONMENTAL IMPACT ASSESSMENT; FRANCE; GEOGRAPHIC DISTRIBUTION; HYDROLOGY; IONIC STRENGTH; PH; PRIORITY JOURNAL; RELIABILITY; SEDIMENTATION; SUSPENDED PARTICULATE MATTER; WATER ANALYSIS; WATER CONTENT; WATER SAMPLING; ANALYSIS; CHEMICAL MODEL; ENVIRONMENTAL MONITORING; POLLUTANT; PROCEDURES;

FRANCE; RHONE RIVER;

ENVIRONMENTAL MONITORING; ENVIRONMENTAL POLLUTANTS; FRANCE; MODELS, CHEMICAL; NANOPARTICLES;

EID: 84929444220     PISSN: 00489697     EISSN: 18791026     Source Type: Journal    
DOI: 10.1016/j.scitotenv.2014.12.025     Document Type: Article

References (54)

1. Aggarwal C., Reddy C. Time-series data clustering. Data Clustering: Algorithms and Applications 2013, 357-379. Chapman and Hall/CRC, (URL: http://proquest.safaribooksonline.com/book/software-engineering-and-development/algorithms/9781466558229).
2. Alberto W.D., Mara del Pilar D., Mara Valeria A., Fabiana P.S., Cecilia H.A., Mara de los Ángeles B. Pattern recognition techniques for the evaluation of spatial and temporal variations in water quality. A case study: Suqua River Basin (Córdoba-Argentina). Water Res. 2001, 35(12):2881-2894. (URL: http://www.sciencedirect.com/science/article/pii/S0043135400005923). 10.1016/S0043-1354(00)00592-3.
3. Blaser S.A., Scheringer M., Macleod M., Hungerbühler K. Estimation of cumulative aquatic exposure and risk due to silver: contribution of nano-functionalized plastics and textiles. Sci. Total Environ. 2008, 390(2-3):396-409. 10.1016/j.scitotenv.2007.10.010.
4. Chen K.L., Mylon S.E., Elimelech M. Enhanced aggregation of alginate-coated iron oxide (hematite) nanoparticles in the presence of calcium, strontium, and barium cations. Langmuir 2007, 23(11):5920-5928. 10.1021/la063744k.
5. Chen G., Liu X., Su C. Distinct effects of humic acid on transport and retention of TiO2 rutile nanoparticles in saturated sand columns. Environ. Sci. Technol. 2012, 46(13):7142-7150. 10.1021/es204010g.
6. Christian P., Von der Kammer F., Baalousha M., Hofmann T. Nanoparticles: structure, properties, preparation and behaviour in environmental media. Ecotoxicology (London, England) 2008, 17(5):326-343. URL: http://www.ncbi.nlm.nih.gov/pubmed/18459043). 10.1007/s10646-008-0213-1.
7. Colvin V.L. The potential environmental impact of engineered nanomaterials. Nat. Biotechnol. 2003, 21(10):1166-1170. 10.1038/nbt875.
8. Cox T.F.C., Cox M.A.A. Introduction. Chapman and Hall/CRC; C&H/CRC Monographs on Statistics & Applied Probability 2000, Second ed, 10.1201/9781420036121.ch1.
9. Deonarine A., Lau B.L.T., Aiken G.R., Ryan J.N., Hsu-Kim H. Effects of humic substances on precipitation and aggregation of zinc sulfide nanoparticles. Environ. Sci. Technol. 2011, 45(8):3217-3223. 10.1021/es1029798.
10. Dunphy Guzman K.A., Finnegan M.P., Banfield J.F. Influence of surface potential on aggregation and transport of titania nanoparticles. Environ. Sci. Technol. 2006, 40(24):7688-7693. 10.1021/es060847g.
11. Elimelech M., Gregory J., Jia X., Williams R.A., Gregory J., Jia X., Williams R.A. Particle deposition & aggregation. Particle Deposition & Aggregation 1995, Elsevier, (volume null). 10.1016/B978-075067024-1/50006-6.
12. Ester M., Kriegel H.P., Sander J., Xu X. A density-based algorithm for discovering clusters in large spatial databases with noise. Proceedings of the Second International Conference on Knowledge Discovery and Data Mining (KDD-96) 1996, 226-231. AAAI Press, Portland, Oregon, USA, (URL: http://www.aaai.org/Library/KDD/kdd96contents.php.).
13. Freedman D., Diaconis P. On the histogram as a density estimator: L 2 theory. Z. Wahrscheinlichkeitstheorie Verwandte Geb. 1981, 57(4):453-476. (URL: http://link.springer.com/10.1007/BF01025868). 10.1007/BF01025868.
14. Gondikas A.P., von der Kammer F., Reed R.B., Wagner S., Ranville J.F., Hofmann T. Release of TiO2 nanoparticles from sunscreens into surface waters: a one-year survey at the old Danube recreational Lake. Environ. Sci. Technol. 2014, 48(10):5415-5422. 10.1021/es405596y.
15. Hauck M., Huijbregts M.A.J., Hollander A., Hendriks A.J., van de Meent D. Modeled and monitored variation in space and time of PCB-153 concentrations in air, sediment, soil and aquatic biota on a European scale. Sci. Total Environ. 2010, 408(18):3831-3839. (URL: http://www.sciencedirect.com/science/article/pii/S0048969709011528). 10.1016/j.scitotenv.2009.11.037.
16. Hautamaki V., Nykanen P., Franti P. Time-series clustering by approximate prototypes. 19th International Conference on Pattern Recognition 2008, 1-4. IEEE, (URL: http://ieeexplore.ieee.org/lpdocs/epic03/wrapper.htm?arnumber=4761105). 10.1109/ICPR.2008.4761105.
17. Hennig C. fpc: Flexible procedures for clustering. R package version 2.1-7. 2014 URL. http://cran.r-project.org/package=fpc.
18. Huang J.C., Hilldale R.P., Greimann B. Cohesive sediment transport. Erosion and Sedimentation Manual 2006, 1-54. United States Department of the Interior - Bureau of Reclamation, Denver, (URL: http://www.usbr.gov/pmts/sediment/kb/ErosionAndSedimentation/).
19. Insee Lyon. Insee - Chiffres clés: Commune de Lyon URL. http://www.insee.fr/fr/bases-de-donnees/esl/comparateur.asp?codgeo=COM-69123.
20. Jarvie H.P., Neal C., Withers P.J.A. Sewage-effluent phosphorus: a greater risk to river eutrophication than agricultural phosphorus?. Sci. Total Environ. 2006, 360(1-3):246-253. (URL: http://www.sciencedirect.com/science/article/pii/S0048969705006066). 10.1016/j.scitotenv.2005.08.038.
21. Kaegi R., Voegelin A., Sinnet B., Zuleeg S., Hagendorfer H., Burkhardt M., Siegrist H. Behavior of metallic silver nanoparticles in a pilot wastewater treatment plant. Environ. Sci. Technol. 2011, 45(9):3902-3908. 10.1021/es1041892.
22. Kaegi R., Voegelin A., Ort C., Sinnet B., Thalmann B., Krismer J., Hagendorfer H., Elumelu M., Mueller E. Fate and transformation of silver nanoparticles in urban wastewater systems. Water Res. 2013, 47(12):3866-3877. (URL: http://www.sciencedirect.com/science/article/pii/S0043135413001826). 10.1016/j.watres.2012.11.060.
23. Keller A.A., Wang H., Zhou D., Lenihan H.S., Cherr G., Cardinale B.J., Miller R., Ji Z. Stability and aggregation of metal oxide nanoparticles in natural aqueous matrices. Environ. Sci. Technol. 2010, 44(6):1962-1967. 10.1021/es902987d.
24. Kiser M.A., Ryu H., Jang H., Hristovski K., Westerhoff P. Biosorption of nanoparticles to heterotrophic wastewater biomass. Water Res. 2010, 44(14):4105-4114. (URL: http://www.sciencedirect.com/science/article/pii/S0043135410003441). 10.1016/j.watres.2010.05.036.
25. Labille J., Feng J., Botta C., Borschneck D., Sammut M., Cabie M., Auffan M., Rose J., Bottero J.Y. Aging of TiO(2) nanocomposites used in sunscreen. Dispersion and fate of the degradation products in aqueous environment. Environ. Pollut. (Barking, Essex: 1987) 2010, 158(12):3482-3489. URL: http://www.sciencedirect.com/science/article/pii/S0269749110000734. 10.1016/j.envpol.2010.02.012.
26. Li L., Hartmann G., Döblinger M., Schuster M. Quantification of nanoscale silver particles removal and release from municipal wastewater treatment plants in Germany. Environ. Sci. Technol. 2013, 47(13):7317-7323. 10.1021/es3041658.
27. Lick W. Modeling the transport of fine-grained sediments in aquatic systems. Sci. Total Environ. 1986, 55:219-228. (URL: http://www.sciencedirect.com/science/article/pii/0048969786901816).
28. Lick W., Xu Y.J., McNeil J. Resuspension properties of sediments from the Fox, Saginaw, and Buffalo Rivers. J. Great Lakes Res. 1995, 21(2):257-274. (URL: http://www.sciencedirect.com/science/article/pii/S038013309571036X).
29. Loosli F., Le Coustumer P., Stoll S. TiO2 nanoparticles aggregation and disaggregation in presence of alginate and Suwannee River humic acids. pH and concentration effects on nanoparticle stability. Water Res. 2013, (URL: http://www.sciencedirect.com/science/article/pii/S0043135413005952).
30. Louie S.M., Tilton R.D., Lowry G.V. Effects of molecular weight distribution and chemical properties of natural organic matter on gold nanoparticle aggregation. Environ. Sci. Technol. 2013, 47(9):4245-4254. 10.1021/es400137x.
31. Lowry G.V., Gregory K.B., Apte S.C., Lead J.R. Transformations of nanomaterials in the environment. Environ. Sci. Technol. 2012, 46(13):6893-6899. 10.1021/es300839e.
32. Meesters J., Koelmans A.A., Quik J.T.K., Hendriks A.J., Van de Meent D. Multimedia modeling of engineered nanoparticles with SimpleBox4nano: model definition and evaluation. Environ. Sci. Technol. 2014, 48(10):5726-5736. 10.1021/es500548h.
33. Money E.S., Reckhow K.H., Wiesner M.R. The use of Bayesian networks for nanoparticle risk forecasting: model formulation and baseline evaluation. Sci. Total Environ. 2012, 426:436-445. (URL: http://www.sciencedirect.com/science/article/pii/S0048969712004676). 10.1016/j.scitotenv.2012.03.064.
34. Olivier J.M., Carrel G., Lamouroux N., Dole-Olivier M.J., Malard F., Bravard J.P., Amoros C. The Rhône River Basin 2009, 247-295. Chapter 7, Academic Press, London, (URL: http://www.sciencedirect.com/science/article/pii/B9780123694492000072. 10.1016/B978-0-12-369449-2.00007-2. K. Tockner, U. Uehlinger, C.T. Robinson (Eds.).
35. Ollivier P., Hamelin B., Radakovitch O. Seasonal variations of physical and chemical erosion: a three-year survey of the Rhone River (France). Geochim. Cosmochim. Acta 2010, 74(3):907-927. 10.1016/j.gca.2009.10.037.
36. Ollivier P., Radakovitch O., Hamelin B. Major and trace element partition and fluxes in the Rhône River. Chem. Geol. 2011, 285(1-4):15-31. (URL: http://www.sciencedirect.com/science/article/pii/S0009254111000787). 10.1016/j.chemgeo.2011.02.011.
37. Ottofuelling S., Von der Kammer F., Hofmann T. Commercial titanium dioxide nanoparticles in both natural and synthetic water: comprehensive multidimensional testing and prediction of aggregation behavior. Environ. Sci. Technol. 2011, 45(23):10045-10052. 10.1021/es2023225.
38. Petosa A.R., Jaisi D.P., Quevedo I.R., Elimelech M., Tufenkji N. Aggregation and deposition of engineered nanomaterials in aquatic environments: role of physicochemical interactions. Environ. Sci. Technol. 2010, 44(17):6532-6549. 10.1021/es100598h.
39. Pistocchi A., Sarigiannis D.A., Vizcaino P. Spatially explicit multimedia fate models for pollutants in Europe: state of the art and perspectives. Sci. Total Environ. 2010, 408(18):3817-3830. (URL: http://www.sciencedirect.com/science/article/pii/S0048969709010274). 10.1016/j.scitotenv.2009.10.046.
40. Praetorius A., Scheringer M., Hungerbühler K. Development of environmental fate models for engineered nanoparticles-a case study of TiO2 nanoparticles in the Rhine River. Environ. Sci. Technol. 2012, 46(12):6705-6713. 10.1021/es204530n.
41. Praetorius A., Labille J., Scheringer M., Thill A., Hungerbühler K., Bottero J.-Y. Heteroaggregation of titanium dioxide nanoparticles with model natural colloids under environmentally relevant conditions. Environ. Sci. Technol. 2014, 10690-10698. 10.1021/es501655v.
42. Python Python Programming Language. Version 2.7.5. 2013 URL. https://www.python.org/download/releases/2.7.5/.
43. R Core Team R: a language and environment for statistical computing URL. http://www.r-project.org/.
44. Rosgen D.L. A classification of natural rivers. Catena 1994, 22(3):169-199. 10.1016/0341-8162(94)90001-9.
45. Scheringer M., Praetorius A., Goldberg E.S. Nanoscience and the environment. Frontiers of Nanoscience 2014, vol. 7. Elsevier, (URL: http://www.sciencedirect.com/science/article/pii/B9780080994086000037). 10.1016/B978-0-08-099408-6.00003-7.
46. Slomberg D.L., Labille J., Sani-Kast N., Ollivier P., Baran N., Radakovitch O., Miche H., Borschneck D., Grauby O., Bruchet A., Scheringer M. Characterization of sediment and natural organic matter in the Rhône River: evaluation of potential pollutant transport vectors 2015, (in preparation).
47. Sun T.Y., Gottschalk F., Hungerbühler K., Nowack B. Comprehensive probabilistic modelling of environmental emissions of engineered nanomaterials. Environ. Pollut. (Barking, Essex: 1987) 2014, 185:69-76. URL: http://www.sciencedirect.com/science/article/pii/S0269749113005241. 10.1016/j.envpol.2013.10.004.
48. TDG European Chemicals Bureau Technical Guidance Document on Risk Assessment (part 2). Technical Report; Institute for Health and Consumer Protection 2003, European Chemical Bureau, (URL: http://ihcp.jrc.ec.europa.eu/our_activities/public-health/risk_assessment_of_Biocides/doc/tgd/tgdpart2_2ed.pdf).
49. Vannote R.L., Minshall G.W., Cummins K.W., Sedell J.R., Cushing C.E. The river continuum concept. Can. J. Fish. Aquat. Sci. 1980, 37(1):130-137. (URL: http://www.nrcresearchpress.com/doi/abs/10.1139/f80-017#.Uzqt4YWeaGR). 10.1139/f80-017.
50. Velzeboer I., Quik J.T.K., van de Meent D., Koelmans A.A. Rapid settling of nanoparticles due to heteroaggregation with suspended sediment. Environ. Toxicol. Chem. 2014, 33(8):1766-1773. (SETAC URL: http://www.ncbi.nlm.nih.gov/pubmed/24753080). 10.1002/etc.2611.
51. von der Kammer F., Ferguson P.L., Holden P.A., Masion A., Rogers K.R., Klaine S.J., Koelmans A.A., Horne N., Unrine J.M. Analysis of engineered nanomaterials in complex matrices (environment and biota): general considerations and conceptual case studies. Environ. Toxicol. Chem./SETAC 2012, 31(1):32-49. (URL: http://www.ncbi.nlm.nih.gov/pubmed/22021021). 10.1002/etc.723.
52. Warren Liao T. Clustering of time series data survey. Pattern Recogn. 2005, 38(11):1857-1874. (URL: http://www.sciencedirect.com/science/article/pii/S0031320305001305). 10.1016/j.patcog.2005.01.025.
53. Wickham H. ggplot2: elegant graphics for data analysis 2009, Springer New York, (URL: http://had.co.nz/ggplot2/book).
54. Ziegler C.K., Nisbet B. Fine grained sediment transport in Pawtuxet River, Rhode Island. J. Hydraul. Eng. 1994, 120(5):561-576. 10.1061/(ASCE)0733-9429(1994)120:5(561).