NanoQSAR · Structure-activity relationship modelling of REACH-relevant endpoints to predict the toxicity of engineered nanomaterials

Structure-activity relationship modelling of REACH-relevant endpoints to predict the toxicity of engineered nanomaterials

Nanotechnology is among the fastest growing and most promising technologies in our current society, promoting the development of smart and innovative products and improving processes in a several industry sectors, including composites, colouring, ceramics, electronics, nutrition, cosmetics, energy, optics, automotive, etc. Thus, the development and spread of new engineered nanomaterials (ENMs) is growing in the industrial field and, consequently, in the direct use by the public. As with any new material or substance introduced in the market, it is crucial to evaluate their properties and particularly their toxic effects. The toxicity of ENMs is a complex issue, because it is not only determined by the chemical composition but also by properties like the particle size and shape, global charge and surface area. The significant knowledge gaps in the toxicokinetic and toxic mechanism of ENMs further strength the need of identifying nano-specific indicators of toxicity and developing approaches for toxicity prediction and risk assessment. Nanomaterials (NMs) toxicity depends on the structure of the particles and it is not significant if it was specifically produced to have that particular structure (engineered), formed by humans (incidental) or created in the environment by natural causes (natural). Quantitative structure–activity (or toxicity) relationship (QSAR) approaches paradigm has only recently been used to predict biological effects of NMs, with only few quantitative nano-structure activity relationships models described in the literature. Hence, the nanoQSAR focus is the application of the QSAR paradigm to identify high concern NMs and predict relevant endpoints for risk assessment, reducing the cost and timescale derived from the use of in vivo or in vitro assays. These are the objectives of the project: - To develop a set of nanoQSAR models to predict physicochemical, toxicological and environmental effects of relevant metal oxide (MOx) nanoparticles and quantum dots (QDs). - The validation of robust nanoQSAR models for regulatory purposes in the field of nanotoxicology according to OECD principles - To validate the nanoQSAR models using as input parameters experimental data from running or recently completed projects funded under EU programs. - To provide new computational derived information on the physicochemical, toxicological, ecotoxicological and environmental endpoints for REACH. - To implement the nanoQSAR models in a computational platform allowing for the fast and cheap evaluation of the toxicological profiles of NMs for regulatory purposes.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз