Computing infrastructure for the definition, performance testing and implementation of safe-by-design approaches in nanotechnology supply chains

Project Information

SbD4Nano

Grant agreement ID: 862195

DOI

10.3030/862195

Project closed

EC signature date 8 April 2020

Start date 1 April 2020

End date 31 May 2024

Funded under

• INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Advanced materials

Total cost

€ 5 979 609,98

EU contribution

€ 5 979 609,98

Coordinated by

INSTITUTO TECNOLOGICO DEL EMBALAJE, TRANSPORTE Y LOGISTICA
Spain

Periodic Reporting for period 3 - SbD4Nano (Computing infrastructure for the definition, performance testing and implementation of safe-by-design approaches in nanotechnology supply chains)

Reporting period: 2023-04-01 to 2024-05-31

Summary of the context and overall objectives of the project

The overall concept of the project was based on the need of promoting the implementation of the Safe-by-Design concept when dealing with ENMs and NEPs. This Safe-by-Design concept has gained attention during the project execution, being promoted as a key tool under the European green Deal and the Chemicals Strategy for Sustainability to increase the protection of human health and the environment against hazardous substances, including nanomaterials (ENMs).

The main problem / issue is related with the implementation of the SSbD framework.The practical application of the EC-JRC SSbD framework can represent a challenge to SMEs and risk assessors, due to the limited availability of data and proper procedures to cover the 5 steps proposed in the framework, for which it is necessary to have access to relevant data on specific toxicological endpoints, conditions of use of downstream users, or datasets for the life cycle impact assessment. In the specific case of SbD4nano, innovative approches to adress step 1 to 3 are proposed.

The project results have a strong impactc on the society, including the generation of FAIR data and the generation of key knowledge to implement the SSbD framework, including human health hazard data, refined and free available computational models to support hazard profiling, and new data sets including exposure potential data for identified uses.

In this context, the main goal of the project is to develop a new software infrastructure to foster the implementation of the Safe-by-Design concept when dealing with ENMs and NEPs, currently limited by the lack of comprehensive data on the effects of nano-specific physicochemical properties on the product-performance and functionality, hazard, and exposure potential. The main functionality of the e-infrastructure is to support and guide industrial end-users and stakeholders in applying safe-by-design or other risk mitigating strategies to make their ENMs, nano-enabled products and related process safer, while considering performance and cost.

Work performed from the beginning of the project to the end of the period covered by the report and main results achieved so far

The activities conducted in the third reporting period were mainly focused on the implementation of improvements on the e-infrastructure, including a new dashboard, as well as new functionalities related with the toxicological profiling engine, and the NanoExposure Quantifier (NEQ) model implementation. In parallel, a validation program was implemented to test and demonstrate the applicability of the e-infrastructure to select proper measures to develop safer materials and processes. Finally, concerning dissemination and communication activities, the outcomes and findings of the project were presented during the Anthos´24 “Advanced (Nano)Materials and Technologies: Science, Research & Innovation for Safety and Sustainability” event, organized by the Bionanonet (BNN) last March 2024 in Vienna (Austria), where leading experts in Safe-by-Design (SbD) and Safe-and-Sustainable-by-Design (SSbD) were present

A summary of the main results achieved is provided below:

1) An updated web based community knowledge infrastructure / WP1
2) New refined hypothesis for physical-chemical properties and functionality relationships. An open server website for toxicity prediction of ENMs was delivered, being implemented in such a way that can be directly used by the e-infrastructure developed in WP5 / WP2
3) A new set of strategies to reduce toxicity based on the use of molecules with biological origen for surface modifications / WP3
4) A fit-for-purpose exposure model (Nano Exposure Quantifier model (NEQ)) integrating algorithms to estimate the exposure and RMM values. New data on the efficiency of engineering controls based on Computational fluid dynamics (CFD) / WP4
5) A new version (1.0) of the e-infrastructure, inlcuding a new SbD case dashboard designed to provide quick insight in the entire case, as well as access to updated versions of a subset of SdD resources / WP5
6) Case study reports including detailed information on the applicability of the approaches developed. Excel based tool to support a harmonized cost analysis / WP6
7) A new guideline on SbD integration in the risk governance framework / WP7

Concerning key exploitable results, the reserch organizations developed the exploitable solutions that can be used to provide added value services: Toxicological profiling interface,Literature searching engine,QSAR Models,NanoExposure Quantifier / ECEL library, Exposure/release coefficients, CFD algorithms, Software code, software interface, and the so-called Influence Diagrams. In addition, it should be noted that the e-infrastructure is one of the KERs of the project. For its part, the compaines developed a new line of products, including: Safe by design Carbon Nanofibers,Safe by design Graphene and Graphene composites, Safe by design Fluorescent silica nanobeads, Safe by design – Eye drops and food/cosmetic product development, Safe by design carbon based NMs for their use in thermosetting and thermoplastic nanocomposites, Safe by design of fluorescent silica nanoparticles, Safe by design production of TiO2-SiO2 NPs, Safe by design production of nano TiO2 and ZnO, Safe by design SiO2,TiO2 ENMs based coatings and SiO2 based nanocapsules.

Progress beyond the state of the art and expected potential impact (including the socio-economic impact and the wider societal implications of the project so far)

The main progress beyond the state of the art can be summarized in 3 pillars:
• Surface Engineering approaches to design out hazard, being based on interactions and relationships between physicochemical properties, toxicity and functionality.
• New nano-specific release factors to improve the accuracy of exposure / release models. A new RMM performance estimation model refined with data from computational fluid dynamics.
• SbD frameworks and tools: first e-infrastructure based on the impact on the hazard, exposure, functionality and cost of specific SbD approaches defined by end-users.


The main results achieved at end of the project include:

• A refined version of the knowledge infrastructure
• Inventory of proven approaches, including ENMs doping, coating, functionalization, passivation and agglomeration for toxicity reduction
• A refined version of the modelling framework to predict exposure, including the fit-for-purpose nano-specific exposure model integrating the Nano Exposure Quantifier model (NEQ), the HotSpot scan to determine release and the iCFD to estimate the effectiveness of engineering controls.
• Up-to-date library of proven SbD approaches to improve both safety and efficacy of ENMs/NEP

Impact: the main impact of the project is a better understanding of the methodologies that can be applied to support risk assessment in the early stages, as well as to manage uncertainty and risks of ENMs, products and processes at the time of market introduction. The project brings the opportunity to use robust open access tools to promote the uptake of SbD approaches by the nanotechnology supply chain, reducing potential adverse effects. The impact of the project on society, EU policies and the environment continues to be a key priority for the members of the project. Sbd4Nano is expected to make a significant impact for the safe manufacturing and use of ENMs, providing stakeholders with a science-based platform to reduce both hazard and exposure. Sbd4Nano will have remarkable impact on the international nanotechnology industry, supporting SMEs and Large Companies in the selection of safer products and processes.

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