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NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment

  • Nanotechnology has enabled the discovery of a multitude of novel materials exhibiting unique physicochemical (PChem) properties compared to their bulk analogues. These properties have led to a rapidly increasing range of commercial applications; this, however, may come at a cost, if an association to long-term health and environmental risks is discovered or even just perceived. Many nanomaterials (NMs) have not yet had their potential adverse biological effects fully assessed, due to costs and time constraints associated with the experimental assessment, frequently involving animals. Here, the available NM libraries are analyzed for their suitability for integration with novel nanoinformatics approaches and for the development of NM specific Integrated Approaches to Testing and Assessment (IATA) for human and environmental risk assessment, all within the NanoSolveIT cloud-platform. These established and well-characterized NM libraries (e.g. NanoMILE, NanoSolutions, NANoREG, NanoFASE,Nanotechnology has enabled the discovery of a multitude of novel materials exhibiting unique physicochemical (PChem) properties compared to their bulk analogues. These properties have led to a rapidly increasing range of commercial applications; this, however, may come at a cost, if an association to long-term health and environmental risks is discovered or even just perceived. Many nanomaterials (NMs) have not yet had their potential adverse biological effects fully assessed, due to costs and time constraints associated with the experimental assessment, frequently involving animals. Here, the available NM libraries are analyzed for their suitability for integration with novel nanoinformatics approaches and for the development of NM specific Integrated Approaches to Testing and Assessment (IATA) for human and environmental risk assessment, all within the NanoSolveIT cloud-platform. These established and well-characterized NM libraries (e.g. NanoMILE, NanoSolutions, NANoREG, NanoFASE, caLIBRAte, NanoTEST and the Nanomaterial Registry (>2000 NMs)) contain physicochemical characterization data as well as data for several relevant biological endpoints, assessed in part using harmonized Organisation for Economic Co-operation and Development (OECD) methods and test guidelines. Integration of such extensive NM information sources with the latest nanoinformatics methods will allow NanoSolveIT to model the relationships between NM structure (morphology), properties and their adverse effects and to predict the effects of other NMs for which less data is available. The project specifically addresses the needs of regulatory agencies and industry to effectively and rapidly evaluate the exposure, NM hazard and risk from nanomaterials and nano-enabled products, enabling implementation of computational ‘safe-by-design’ approaches to facilitate NM commercialization.zeige mehrzeige weniger

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Autoren/innen:A. Afantitis, G. Melagraki, P. Isigonis, A. Tsoumanis, D. D. Varsou, E. Valsami-Jones, A. Papadiamantis, L.-J. A. Ellis, H. Sarimveis, P. Doganis, P. Karatzas, P. Tsiros, I. Liampa, V. Lobaskin, D. Greco, A. Serra, P. A. S. Kinaret, L. A. Saarimäki, R. Grafström, P. Kohonen, P. Nymark, E. Willighagen, T. Puzyn, A. Rybinska-Fryca, A. Lyubartsev, K. A. Jensen, J. G. Brandenburg, S. Lofts, C. Svendsen, S. Harrison, D. Maier, K. Tamm, J. Jänes, L. Sikk, M. Dusinska, E. Longhin, E. Rundén-Pran, E. Mariussen, N. El Yamani, Wolfgang Unger, Jörg Radnik, A. Tropsha, Y. Cohen, J. Lesczynski, C. O. Hendren, M. Wiesner, D. Winkler, N. Suzuki, T. H. Yoon, J.-S. Choi, N. Sanabria, M. Gulumian, I. Lynch
Dokumenttyp:Zeitschriftenartikel
Veröffentlichungsform:Verlagsliteratur
Sprache:Englisch
Titel des übergeordneten Werkes (Englisch):Computational and Structural Biotechnology Journal
Jahr der Erstveröffentlichung:2020
Organisationseinheit der BAM:6 Materialchemie
6 Materialchemie / 6.1 Oberflächenanalytik und Grenzflächenchemie
Veröffentlichende Institution:Bundesanstalt für Materialforschung und -prüfung (BAM)
Verlag:Elsevier B.V.
Jahrgang/Band:18
Erste Seite:583
Letzte Seite:602
DDC-Klassifikation:Naturwissenschaften und Mathematik / Chemie / Analytische Chemie
Freie Schlagwörter:(Quantitative) Structure-Active Relationships; Hazard assessment; Nanoinformatics; Predictive modelling; Safe-by-design
Themenfelder/Aktivitätsfelder der BAM:Analytical Sciences
Analytical Sciences / Oberflächen- und Grenzflächenanalytik
DOI:https://doi.org/10.1016/j.csbj.2020.02.023
URN:urn:nbn:de:kobv:b43-505952
Verfügbarkeit des Dokuments:Datei für die Öffentlichkeit verfügbar ("Open Access")
Lizenz (Deutsch):License LogoCreative Commons - CC BY - Namensnennung 4.0 International
Datum der Freischaltung:26.03.2020
Referierte Publikation:Nein
Schriftenreihen ohne Nummerierung:Wissenschaftliche Artikel der BAM