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

Overview

Journal Adv Exp Med Biol

Specialties Biology
General Medicine

Date 2017 Feb 8

PMID 28168671

Citations 2

Authors

Martin Brehm

Alexander Kafka

Markus Bamler

Ralph Kuhne

Gerrit Schuurmann

Lauri Sikk

Jaanus Burk

Peeter Burk

Tarmo Tamm

Kaido Tamm

Suman Pokhrel

Lutz Madler

Anne Kahru

Villem Aruoja

Mariliis Sihtmae

Janeck Scott-Fordsmand

Peter B Sorensen

Laura Escorihuela

Carlos P Roca

Alberto Fernandez

Francesc Giralt

Robert Rallo

Affiliations

Soon will be listed here.

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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References

Arts J, Hadi M, Irfan M, Keene A, Kreiling R, Lyon D . A decision-making framework for the grouping and testing of nanomaterials (DF4nanoGrouping). Regul Toxicol Pharmacol. 2015; 71(2 Suppl):S1-27. DOI: 10.1016/j.yrtph.2015.03.007. View

Aruoja V, Dubourguier H, Kasemets K, Kahru A . Toxicity of nanoparticles of CuO, ZnO and TiO2 to microalgae Pseudokirchneriella subcapitata. Sci Total Environ. 2008; 407(4):1461-8. DOI: 10.1016/j.scitotenv.2008.10.053. View

Bondarenko O, Juganson K, Ivask A, Kasemets K, Mortimer M, Kahru A . Toxicity of Ag, CuO and ZnO nanoparticles to selected environmentally relevant test organisms and mammalian cells in vitro: a critical review. Arch Toxicol. 2013; 87(7):1181-200. PMC: 3677982. DOI: 10.1007/s00204-013-1079-4. View

Chattaraj P, Giri S, Duley S . Update 2 of: electrophilicity index. Chem Rev. 2011; 111(2):PR43-75. DOI: 10.1021/cr100149p. View

Choi O, Hu Z . Size dependent and reactive oxygen species related nanosilver toxicity to nitrifying bacteria. Environ Sci Technol. 2008; 42(12):4583-8. DOI: 10.1021/es703238h. View

Cohen Y, Rallo R, Liu R, Liu H . In silico analysis of nanomaterials hazard and risk. Acc Chem Res. 2012; 46(3):802-12. DOI: 10.1021/ar300049e. View

Cronin M, Schultz T . Validation of Vibrio fisheri acute toxicity data: mechanism of action-based QSARs for non-polar narcotics and polar narcotic phenols. Sci Total Environ. 1997; 204(1):75-88. DOI: 10.1016/s0048-9697(97)00179-4. View

Damoiseaux R, George S, Li M, Pokhrel S, Ji Z, France B . No time to lose--high throughput screening to assess nanomaterial safety. Nanoscale. 2011; 3(4):1345-60. PMC: 3980675. DOI: 10.1039/c0nr00618a. View

Eom H, Roca C, Roh J, Chatterjee N, Jeong J, Shim I . A systems toxicology approach on the mechanism of uptake and toxicity of MWCNT in Caenorhabditis elegans. Chem Biol Interact. 2015; 239:153-63. DOI: 10.1016/j.cbi.2015.06.031. View

10.

George S, Pokhrel S, Xia T, Gilbert B, Ji Z, Schowalter M . Use of a rapid cytotoxicity screening approach to engineer a safer zinc oxide nanoparticle through iron doping. ACS Nano. 2010; 4(1):15-29. PMC: 3900637. DOI: 10.1021/nn901503q. View

11.

George S, Pokhrel S, Ji Z, Henderson B, Xia T, Li L . Role of Fe doping in tuning the band gap of TiO2 for the photo-oxidation-induced cytotoxicity paradigm. J Am Chem Soc. 2011; 133(29):11270-8. PMC: 3971840. DOI: 10.1021/ja202836s. View

12.

Girvan M, Newman M . Community structure in social and biological networks. Proc Natl Acad Sci U S A. 2002; 99(12):7821-6. PMC: 122977. DOI: 10.1073/pnas.122653799. View

13.

Goeman J, Buhlmann P . Analyzing gene expression data in terms of gene sets: methodological issues. Bioinformatics. 2007; 23(8):980-7. DOI: 10.1093/bioinformatics/btm051. View

14.

Grimme S, Antony J, Ehrlich S, Krieg H . A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J Chem Phys. 2010; 132(15):154104. DOI: 10.1063/1.3382344. View

15.

Hartmann N, Engelbrekt C, Zhang J, Ulstrup J, Kusk K, Baun A . The challenges of testing metal and metal oxide nanoparticles in algal bioassays: titanium dioxide and gold nanoparticles as case studies. Nanotoxicology. 2012; 7(6):1082-94. DOI: 10.3109/17435390.2012.710657. View

16.

Hastings J, Jeliazkova N, Owen G, Tsiliki G, Munteanu C, Steinbeck C . eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment. J Biomed Semantics. 2015; 6:10. PMC: 4374589. DOI: 10.1186/s13326-015-0005-5. View

17.

Heinlaan M, Ivask A, Blinova I, Dubourguier H, Kahru A . Toxicity of nanosized and bulk ZnO, CuO and TiO2 to bacteria Vibrio fischeri and crustaceans Daphnia magna and Thamnocephalus platyurus. Chemosphere. 2008; 71(7):1308-16. DOI: 10.1016/j.chemosphere.2007.11.047. View

18.

Hristozov D, Gottardo S, Cinelli M, Isigonis P, Zabeo A, Critto A . Application of a quantitative weight of evidence approach for ranking and prioritising occupational exposure scenarios for titanium dioxide and carbon nanomaterials. Nanotoxicology. 2012; 8(2):117-31. DOI: 10.3109/17435390.2012.760013. View

19.

Ioannidis J, Khoury M . Improving validation practices in "omics" research. Science. 2011; 334(6060):1230-2. PMC: 5624327. DOI: 10.1126/science.1211811. View

20.

Ivask A, Kurvet I, Kasemets K, Blinova I, Aruoja V, Suppi S . Size-dependent toxicity of silver nanoparticles to bacteria, yeast, algae, crustaceans and mammalian cells in vitro. PLoS One. 2014; 9(7):e102108. PMC: 4105572. DOI: 10.1371/journal.pone.0102108. View