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An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project

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Modelling the Toxicity of Nanoparticles

Part of the book series: Advances in Experimental Medicine and Biology ((AEMB,volume 947))

Abstract

The development and implementation of safe-by-design strategies is key for the safe development of future generations of nanotechnology enabled products. The safety testing of the huge variety of nanomaterials that can be synthetized is unfeasible due to time and cost constraints. Computational modeling facilitates the implementation of alternative testing strategies in a time and cost effective way. The development of predictive nanotoxicology models requires the use of high quality experimental data on the structure, physicochemical properties and bioactivity of nanomaterials. The FP7 Project MODERN has developed and evaluated the main components of a computational framework for the evaluation of the environmental and health impacts of nanoparticles. This chapter describes each of the elements of the framework including aspects related to data generation, management and integration; development of nanodescriptors; establishment of nanostructure-activity relationships; identification of nanoparticle categories; hazard ranking and risk assessment.

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Notes

  1. 1.

    http://www.researchandmarkets.com/research/4sxcfc/global.

  2. 2.

    http://www.nanosafetycluster.eu.

  3. 3.

    http://modern-fp7.biocenit.cat.

  4. 4.

    http://biocenitc-deq.urv.cat/anapath.

  5. 5.

    http://www.enanomapper.net.

  6. 6.

    http://bioportal.bioontology.org/ontologies/ENM.

  7. 7.

    http://nanodms.biocenit.cat.

  8. 8.

    http://www.nanopuzzles.eu/.

  9. 9.

    http://lammps.sandia.gov.

  10. 10.

    *R 2 -squared correlation coefficient; R 2 cv –squared cross-validated correlation coefficient; F – Fisher criterion; s 2 – squared standard deviation.

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Acknowledgments

Authors acknowledge the financial support received from the European Commission through the FP7 MODERN Project (Contract No. 309314). RR also acknowledges the support received from Generalitat de Catalunya (2014SGR 1352).

Author information

Authors and Affiliations

  1. UFZ Department of Ecological Chemistry, Helmholtz Centre for Environmental Research, Permoserstrasse 15, 04318, Leipzig, Germany

    Martin Brehm, Alexander Kafka, Markus Bamler, Ralph Kühne, Gerrit Schüürmann & Carlos P. Roca

  2. Faculty for Chemistry and Mineralogy, University of Leipzig, Johannisallee 29, 04103, Leipzig, Germany

    Alexander Kafka

  3. Institute for Organic Chemistry, Technical University Bergakademie Freiberg, Leipziger Strasse 29, 09596, Freiberg, Germany

    Markus Bamler & Gerrit Schüürmann

  4. Institute of Chemistry, University of Tartu, Ravila 14a, Tartu, 50411, Estonia

    Lauri Sikk, Jaanus Burk, Peeter Burk & Kaido Tämm

  5. Institut de Chimie de Nice (UMR CNRS 7272), Université Nice Sophia Antipolis, 06108, Nice, France

    Lauri Sikk

  6. Institute of Technology, University of Tartu, Nooruse 1, Tartu, 50411, Estonia

    Tarmo Tamm

  7. Foundation Institute of Materials Science (IWT), Department of Production Engineering, University of Bremen, Bremen, Germany

    Suman Pokhrel & Lutz Mädler

  8. Laboratory of Environmental Toxicology, National Institute of Chemical Physics and Biophysics, Akadeemia tee 23, Tallinn, 12618, Estonia

    Anne Kahru, Villem Aruoja & Mariliis Sihtmäe

  9. Department of Bioscience, Aarhus Universit, Vejlsovej 25, PO BOX 314, DK, 8600, Silkeborg, Denmark

    Janeck Scott-Fordsmand & Peter B. Sorensen

  10. Departament d’Enginyeria Química, Universitat Rovira i Virgili, Av. Paisos Catalans, 26, 43007, Tarragona, Spain

    Laura Escorihuela, Alberto Fernández & Francesc Giralt

  11. Departament d’Enginyeria Informatica i Matematiques, Universitat Rovira i Virgili, Av. Paisos Catalans, 26, 43007, Tarragona, Spain

    Robert Rallo

Authors
  1. Martin Brehm
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  2. Alexander Kafka
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  3. Markus Bamler
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  4. Ralph Kühne
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  5. Gerrit Schüürmann
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  6. Lauri Sikk
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  7. Jaanus Burk
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  8. Peeter Burk
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  9. Tarmo Tamm
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  10. Kaido Tämm
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  11. Suman Pokhrel
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  12. Lutz Mädler
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  13. Anne Kahru
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  14. Villem Aruoja
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  15. Mariliis Sihtmäe
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  16. Janeck Scott-Fordsmand
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  17. Peter B. Sorensen
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  18. Laura Escorihuela
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  19. Carlos P. Roca
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  20. Alberto Fernández
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  21. Francesc Giralt
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  22. Robert Rallo
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Corresponding author

Correspondence to Robert Rallo .

Editor information

Editors and Affiliations

  1. Institute of Occupational Medicine, Edinburgh, United Kingdom

    Lang Tran

  2. Institute of Catalysis & Petrochemistry, CSIC, Madrid, Spain

    Miguel A. Bañares

  3. Universitat Rovira i Virgili, Departament d’Enginyeria Informatica i Matematiques, Tarragona, Spain

    Robert Rallo

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Brehm, M. et al. (2017). An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project. In: Tran, L., Bañares, M., Rallo, R. (eds) Modelling the Toxicity of Nanoparticles. Advances in Experimental Medicine and Biology, vol 947. Springer, Cham. https://doi.org/10.1007/978-3-319-47754-1_9

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