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

Publication ,  Journal Article
Afantitis, A; Melagraki, G; Isigonis, P; Tsoumanis, A; Varsou, DD; Valsami-Jones, E; Papadiamantis, A; Ellis, L-JA; Sarimveis, H; Doganis, P ...
Published in: Computational and structural biotechnology journal
January 2020

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.

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Published In

Computational and structural biotechnology journal

DOI

EISSN

2001-0370

ISSN

2001-0370

Publication Date

January 2020

Volume

18

Start / End Page

583 / 602

Related Subject Headings

  • 4601 Applied computing
  • 3101 Biochemistry and cell biology
  • 0802 Computation Theory and Mathematics
  • 0103 Numerical and Computational Mathematics
 

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Afantitis, A., Melagraki, G., Isigonis, P., Tsoumanis, A., Varsou, D. D., Valsami-Jones, E., … Lynch, I. (2020). NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment. Computational and Structural Biotechnology Journal, 18, 583–602. https://doi.org/10.1016/j.csbj.2020.02.023
Afantitis, Antreas, Georgia Melagraki, Panagiotis Isigonis, Andreas Tsoumanis, Dimitra Danai Varsou, Eugenia Valsami-Jones, Anastasios Papadiamantis, et al. “NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment.Computational and Structural Biotechnology Journal 18 (January 2020): 583–602. https://doi.org/10.1016/j.csbj.2020.02.023.
Afantitis A, Melagraki G, Isigonis P, Tsoumanis A, Varsou DD, Valsami-Jones E, et al. NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment. Computational and structural biotechnology journal. 2020 Jan;18:583–602.
Afantitis, Antreas, et al. “NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment.Computational and Structural Biotechnology Journal, vol. 18, Jan. 2020, pp. 583–602. Epmc, doi:10.1016/j.csbj.2020.02.023.
Afantitis A, Melagraki G, Isigonis P, Tsoumanis A, Varsou DD, Valsami-Jones E, Papadiamantis A, Ellis L-JA, Sarimveis H, Doganis P, Karatzas P, Tsiros P, Liampa I, Lobaskin V, Greco D, Serra A, Kinaret PAS, Saarimäki LA, Grafström R, Kohonen P, Nymark P, Willighagen E, Puzyn T, Rybinska-Fryca A, Lyubartsev A, Alstrup Jensen K, Brandenburg JG, Lofts S, Svendsen C, Harrison S, Maier D, Tamm K, Jänes J, Sikk L, Dusinska M, Longhin E, Rundén-Pran E, Mariussen E, El Yamani N, Unger W, Radnik J, Tropsha A, Cohen Y, Leszczynski J, Ogilvie Hendren C, Wiesner M, Winkler D, Suzuki N, Yoon TH, Choi J-S, Sanabria N, Gulumian M, Lynch I. NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment. Computational and structural biotechnology journal. 2020 Jan;18:583–602.
Journal cover image

Published In

Computational and structural biotechnology journal

DOI

EISSN

2001-0370

ISSN

2001-0370

Publication Date

January 2020

Volume

18

Start / End Page

583 / 602

Related Subject Headings

  • 4601 Applied computing
  • 3101 Biochemistry and cell biology
  • 0802 Computation Theory and Mathematics
  • 0103 Numerical and Computational Mathematics