On 21 May 2025, during the second day of our General Assembly in M17 in Valencia (Spain), the colleagues of NovaMechanics and Entelos (Panagiotis Kolokathis and Tassos Papadiamantis), gave an internal training to the whole consortium (approx. 25 participants) on the ChemoInformatics tools that they develop, to learn how to use them for data analysis and machine learning, run exposure scenarios, calculate atomistic desriptors, run already developed machine learning model and understanding their output (e.g. applicability domain).

During the session entitled “Investigation of Chemicals and Materials Safety through the Isalos, Enalos and Eos Cloud Platform tools and functionalities”, participants learned to use computational tools powered by the Enalos Cloud Platform, Eos Cloud Platform, and the functionalities/workflows of Isalos Analytics Platform, to predict the properties of a range of chemicals and materials for a range of case studies. Additionally, all partners discussed ideas about the applicability of these tools within the project.

Detailed program:

1. Lung Deposition – A web application developed for analyzing particle deposition in human lungs and evaluating associated hazards based on the ICRP or the MPPD model.
2. SimpleBox4Planet – This tool provides a user-friendly environment to access the SimpleBox, a multimedia mass balance model used to evaluate the fate of chemical substances in the environment. The tool includes a database with the properties of candidate substances used as PFAS alternatives.
3. MicroPlasticFate – This web application simulates the fate and behaviour of nano- and microplastics (NMPs) aross multiple environmental scales, including regional, continental and global scale, each of which consists of compartments/media of air, soil, water and sediment.
4. NanoXtract – Unique online tool for the calculation of 18 image descriptors based on Transmission Electron Microscopy (TEM) images of nanomaterials.
5. UANanoDock – It is a web-based United Atom multiscale nano-docking tool for predicting protein adsorption onto nanoparticles at a selected pH (e.g., preferential protein orientation, adsorption energy, etc).
6. Titania – Tool for the simultaneous property and toxicity prediction of sets of chemical compounds. Users can import compounds of interest by drawing molecules and inspect a 3D visualization of their molecular structures post-drawing.
7. Nanotube Construct – Tool for the digital construction of energy minimized nanotubes of single layer materials and calculation of their atomic descriptors powered by the Enalos Cloud Platform.
8. HydroNanoConstruct – Toolbox for the digital reconstruction of energy minimized metal-oxide nanoparticles, based on their CIF files and the calculation of their atomistic descriptors, in water.
9. Sbd4Skin – SbD4Skin incorporates quantitative structure-property relationship (QSPR) models for skin toxicity endpoints prediction (acute dermal toxicity, skin irritation potential, and skin sensitization potential).
10. Isalos Analytics Platform (Reference link 1 and Reference link 2) – The so-called Isalos, is a simple and user-friendly software designed to facilitate data manipulation and model development without requiring programming skills. This platform empowers non-programmers to engage in data analytics through an intuitive interface, which leverages commonly used computer functions such as menus, buttons, and spreadsheets.

On 20-21 May 2025 SSbD4CheM consortium met in Valencia (Spain) for our M17 General Assembly in the facilities of ITENE, our experts in SSbD, leading the work package dealing with the sustainability assessment across the life cycle assessment (LCA).

We kicked off the meeting with a warm welcome from Carmen Sánchez (technical director of ITENE) and our coordinator, Milica Velimirovic from VITO, setting the stage for the WP presentations showcasing the progress in the project.

A special spotlight of the day was on our internal case studies in automotive, textiles, and cosmetics, where our colleagues from WOOD K plus (Claudia Pretschuh), CTCR (Eduardo Santamaría) and NIC (Ondrej Panak) updated us with the developments and findings — it was inspiring to see how SSbD is being applied across diverse sectors!

The second day of the meeting started with a pitch presentation session of some of our Early Career Researchers on their last research:

• Xiaoyu Zhang from VITO and Mansoor Ahmad Bhat from Loughborough University on their research on particle analysis in the textiles case study (washing processes). The titles of their presentations were “Tailored Analytical Approaches to Assess Microplastics and Nanoparticles Release from Textiles During Washing” and “Washing Test for Textiles”, respectively.
• Thomas Arblaster from University of Leiden on his research on the Life Cycle Assessment (LCA) (advancing the method to expand the toolbox, as well as its application, i.e., robust application of the toolbox).

After that, ITENE colleagues guided us through their impressive labs, showing us their equipment and all the different processes they are able to do!

The meeting ended with an internal training on ChemInformatics tools by our colleagues from  NovaMechanics and Entelos (Panagiotis Kolokathis and Tassos Papadiamantis).

Huge thanks to ITENE and their whole team behind for being a great host, ensuring a smooth meeting, bringing all us to Valencia and giving us a real culinary journey featuring many local specialities, where paella, of course, was not missing!!

Some highlights of the 2 sunny days in Valencia:

Ivana Burzic is Project Leader at Wood K plus, a research organisation in the field of wood and wood-related renewable resources in Linz, Austria. Within SSbD4CheM, she leads the work package dealing with the development and validation of novel materials for the three case studies, with fulfilled sustainability and safety aspects.

Tell us a bit about yourself. What is your area of expertise?

Ivana Burzic: I have many years of experience in researching thermoplastic-based materials/formulation development and their application to various polymer processing technologies. I hold a position at Wood K plus R&D Center (Austria) as International Project Manager in the Bio-based Composites and Processes (BCP) team. Previously, I studied Organic Chemistry and Polymer Engineering from the University of Belgrade (Serbia), and I’m interested in sustainable and circular materials for different application areas. Before joining Wood K plus, I spent 3 years at the Johannes Kepler University (Austria) at Institute of Polymer Extrusion and Compounding, where I worked closely with students as a research associate. During this time, I enjoyed teaching students about plastic welding. I really love teaching young people, especially children, how we can change the future by having good habits and acting responsibly.

How does your specific work package “SSbD driven R&D of novel materials and Demonstration of Industrial Assay” contribute to the project?

IB: The WP7 work package of the SSbD4CheM project plays an important role as it develops novel renewable composites with optimised Total Volatile Organic Compounds (TVOC) emissions and odour for automotive applications, PFAS-free coatings for textile applications and investigates different types of nanocellulose as a sustainable additive in cosmetics in the light of the implementation of the SSbD framework. In order to fully exploit the potential benefits that innovative SSbD4CheM materials can offer, it is essential to prioritise safety aspects in conjunction with sustainability considerations. Therefore, by applying different steps of the Safe and Sustainable by Design (SSbD) Framework considering different SSbD4CheM use cases, the WP7 work package will work closely with partners from other WPs to integrate functionality/innovation with safety and sustainability considerations as early as possible in the innovation process at TRL3/4 (R&D development process), thus saving costs towards their market introduction.

What is the most exciting thing about the activities in your work package?

IB: Collaboration with international teams as well as close collaboration with industrial partners (representatives of Stellantis Group, AHAVA and KORTEKS) to address different, sometimes complex issues related to the different use case requirements.

On March 13, 2025, Wood K plus took part in the  KC Fachtagung [Conference on Materials] – Focus on Fiber Composites held in Linz, Austria. The event, organized by the Upper Austrian cross-sectional network of the industrial plastics sector (Business Upper Austria), brought together approximately 40 industry stakeholders to discuss the latest developments and applications of fiber-reinforced plastics.

This year’s conference explored a wide spectrum of materials and their forward-looking applications, ranging from mobility and construction to other sectors where fiber-reinforced composites are essential. Key topics included recyclability, design for recycling, and the integration of recycled and bio-based raw materials. Experts from both industry and research institutions presented new insights and visions aimed at driving sustainable and innovative use of fiber-reinforced composites in relevant sectors.

Our colleague Dr. Claudia Pretschuh from Wood K plus contributed to the conference with an oral presentation on “Developments in the Area of Fiber-Based Composites by Using Natural Fibers”. The presentation highlighted key developments from the automotive case study of the SSbD4CheM project, which specifically targets the development of composites reinforced with natural fibers, cellulose fibers, and wood particles for use in automotive interior applications, and focuses on the Safe and Sustainable by Design (SSbD) principles.

Dr. Pretschuh outlined the SSbD approach followed by the project, emphasizing several steps such as:

• Step 3 – Safety aspects: Addressing safety aspects related to the use phase, with a particular focus on volatile organic compound (VOC) emissions from automotive interior materials.
• Step 4 – Sustainability aspects: The sustainability dimension is taken into account through a life cycle assessment (LCA) approach, in collaboration with the University of Leiden, also partner in the project.

Additionally, foam injection molding was presented as a potential solution for creating ultra-lightweight thermoplastic compounds. 

The event provided an excellent platform for networking and exchanging perspectives. Following the presentation, Wood K plus engaged in discussions with Magna Powertrain regarding the potential of natural fiber-based composites. Magna expressed interest in further material testing, simulations, and results from ongoing LCA studies. Additionally, future discussions are planned with Borealis to explore material applications and LCA aspects further.

Participation in this conference underscores Wood K plus’s commitment to advancing sustainable material solutions in the automotive sector and beyond.