The development of new materials is a fundamental pillar for the evolution of industrial sectors such as automotive, aeronautics, consumer electronics, infrastructure and healthcare. Research and innovation are essential to improve additives, coatings, resins, paints and inks, optimize processes, and improve processes. Research and innovation are essential to improve additives, coatings, resins, paints and inks, optimize processes, increase efficiency and reduce the environmental impact of the industry.
In this context, the Basque technology centre Tekniker has shown its latest advances in additives, coatings, resins, paints, inks and their characterisation at the European Coatings Show 2025, which took place from March 25 to 27, 2025 in the German city of Nuremberg. The European Coatings Show is the premier trade fair for the coatings industry, organised by Vincentz Network and NürnbergMesse which has brought together manufacturers, distributors and professionals from Europe to explore the latest trends in the sector.
At the European Coatings Show 2025, Tekniker presented at its stand a demonstrator of the research work on smart nanoparticles that it is carrying out within the framework of the RELIANCE project, which is led by them. The action ending in 2026, aims to find a more efficient, cost-effective and safer alternative to the use of traditional biocides in coatings, which is effective in eliminating bacteria, fungi and viruses. Tekniker had also presented their work in another EU-funded project under Horizon Europe program – Nanobloc. – where antimicrobial coatings are also developed for filters, textiles and high-traffic surfaces.
How Simulations Help Understand Their Antimicrobial Potential
Molecular Dynamics (MD) simulations are like a virtual microscope, that allows researchers to observe the movements and interactions of molecules at the atomic level. By applying the fundamental laws of physics, MD simulations predict how atoms and molecules move and interact, which help researchers understand and interpret biological processes, design new drugs, and develop materials with improved and quite often tailored properties.
Antimicrobial peptides have gained significant traction in the past two decades as alternative antibacterial agents through mechanisms involving interactions with both the membrane and intracellular targets, making it harder for antimicrobial resistance to develop, compared to conventional antibiotics. Can you imagine watching a tiny antimicrobial peptide as it moves through water towards a bacterial membrane and attacking it? This is exactly the power of molecular simulations!
As part of the RELIANCE project, the University of Patras team (UPAT) is using MD simulations to investigate the structure and morphology of keratin-derived antimicrobial peptides (KAMPs), namely small proteins originating from humans or chickens with the potential to fight drug-resistant bacteria. The KAMPs under study were first investigated experimentally for their antimicrobial properties by Tam et al.1 and Paul et al.2 In our simulations, we focus particularly on KAMP-10, -10GA, -18C, -18N, -19, -19sc, and -36, as well as on Pw-Antibac123, whose amino acid sequence spans from 1 to 45 residues.1,2 Initially, we explore properties such as their secondary structure and 3D chain conformation in aqueous solutions under dilute and semi-dilute conditions. In the latter case, the aggregation propensity of these short peptides is examined as the result of strong inter-peptide interactions. Next, we explore their interactions with Gram-positive and Gram-negative bacterial models, and more specifically their inner bilayer.
What have our simulations revealed so far?
In Figure 1, one can observe the initial and final configuration of a KAMP-18N peptide in dilute conditions.
Figure 1: Initial (left) and final (right) configuration of KAMP-18N in dilute solution. Side chains are coloured by amino acid type while the backbone chain is coloured by secondary structure type.
The simulation findings are in very favorable agreement with reported experimental evidence concerning the non-conventional structure of these peptides, further confirming their unique random-coiled configuration in dilute solutions. Turns, helices and β-structures are also observed periodically, but such structural elements are usually unstable, except for Pw-Antivac123 where two stable a-helices are observed. For example, KAMP-19 forms a small α-helix in the intermediate residues 7–9, as also found experimentally3 (Figure 2).
Figure 2: Secondary structure of KAMP-19 as predicted by experiments (Lee et al., 2016) (left) and MD simulations (right).
Under semi-dilute conditions, KAMPs from small amorphous aggregates, a process driven by hydrophobic and electrostatic effects. The size and shape of aggregates changes over the simulation time. The formation of a single aggregate is possible (Figure 3), while many peptides may exist as single monomers in the solution. Moreover, the KAMPs maintain again their random coiled structure (Figure 3) as under dilute conditions.
Figure 3: A single aggregate formed by Pw-Antibac123 peptides under semi-dilute conditions (left). Secondary structure distribution of KAMP-18C under semi-dilute conditions (right).
Building on the above findings, the next step is to study the interaction of KAMPs with bacterial membranes. To this, peptides are embedded inside a model lipid bilayer at the beginning of the simulation either in a grid arrangement spanning from one edge to the other or in such a way that a pore is formed at the center of the membrane with an additional grid placed above but close to its upper surface. We observed that, for most of the KAMPs, the pores built in the middle of the membrane are maintained for as long as the simulations are running (e.g., for about one microsecond of time, 1μs) without any peptides observed to escape (Figure 4). For the case where peptides were placed initially inside the lipid bilayer, the peptides also remain embedded in the full course of the simulation, exhibiting a tendency to form small aggregates inside the bilipid.
Figure 4: Initial and final configuration of a KAMP-18N peptides pore inside a Gram-positive membrane with a grid of peptides above the membrane. Peptides are represented as colorful stripes.
What’s next? Future directions of our research
Efforts are currently in progress to learn more about the exact mechanisms of action of KAMPs. With this regard, we are building more realistic systems. For example, by placing above the bilipid membrane a peptidoglycan (PG) layer,4 which is a key component of the bacteria membrane. We are also studying the evolution of systems containing KAMP aggregates embedded in the bacterial membrane to investigate conditions which can cause membrane damage, as the concentration of peptides according to the bibliography is a critical factor that can lead to membrane disruption.
Bibliography
1. Tam, C., Mun, J. J., Evans, D. J. & Fleiszig, S. M. J. Cytokeratins mediate epithelial innate defense through their antimicrobial properties. Journal of Clinical Investigation 122, 3665–3677 (2012).
2. Paul, T. et al. Enzymatic Hydrolyzed Feather Peptide, a Welcoming Drug for Multiple-Antibiotic-Resistant Staphylococcus aureus: Structural Analysis and Characterization. Appl Biochem Biotechnol 175, 3371–3386 (2015).
3. Lee, J. T. Y., Wang, G., Tam, Y. T. & Tam, C. Membrane-active epithelial keratin 6A fragments (KAMPs) are unique human antimicrobial peptides with a non-αβ structure. Front Microbiol 7, (2016).
4. Pokhrel, R., Shakya, R., Baral, P. & Chapagain, P. Molecular Modeling and Simulation of the Peptidoglycan Layer of Gram-Positive Bacteria Staphylococcus aureus. J Chem Inf Model 62, 4955–4962 (2022).
Authors: Luca Fiore, Arianna Antinucci, Giorgia Leotta, Laura Fabiani, Alessandro Iannini, Pierluca Galloni, Riccardo De Santis, Andrea Ciammaruconi, Giorgia Grilli, Elisa Recchia, Florigio Lista, Fabiana Arduini
A B S T R A C T In the era of sustainability, the use of natural compounds as antimicrobial compounds is the rational selection to avoid the release of pollutants into the environment. Among natural compounds, essential oils are characterized by reliable antimicrobial activity and their use is estimated to grow in the future, thus their detection is an asked point. Herein, we report an electrochemical reagent-free paper-based device for the detection of essential oils, namely thymol, eugenol, and carvacrol by adding 5 µL of solution onto the electrode. We functionalized the working electrode with carbon black by drop casting, demonstrating for the first time the proved sensitivity in essential oil detection using this affordable nanomaterial. To deliver a reagent-free device, the paper-based electrode was loaded with the working buffer for asking the end-user only the addition of the sample. This sensor detected the selected essential oils in a dynamic linear range of up to 16 ppm, with a detection limit equal to 0.1, 0.1, and 0.2 ppm for thymol, eugenol, and carvacrol, respectively. Moreover, the sensor’s sustainability was evaluated using the RGBfast method, highlighting its whiteness compared to conventional chromatographic techniques. The reliable results obtained using the paper-based electrochemical sensor demonstrated the versatility, eco-friendliness, and practicality of this sensing tool, enlarging its use in essential oil detection.
RELIANCE consortium gathered in Bordeaux end of January 2025, for their fifth consortium meeting, marking an important milestone with just 18 months left before the project’s end. Hosted by Polyrise, the meeting brought together partners to discuss progress across multiple work packages. Some noteworthy advancements include improved repelling properties in hybrid sol-gel nanocoatings, successful scaling-up of nanoparticle formulations, and enhanced deposition techniques for stainless steel, glass and textiles. In the afternoon of the second day of the meeting, Polyrise had kindly organized for the group a tour of their impressive facilities. We enter the forthcoming phase of prototype and functional systems validation at manufacturing level with confidence, while taking faced challenges as valuable learning opportunities that drive scientific innovation forward.
Beyond technical discussions, the consortium enjoyed a rainy and immersive cultural experience in Bordeaux. A guided tour of the historic city landmarks provided insights into its rich and glorious past, complemented by amusing and curious anecdotes about its norms, traditions and beliefs. The evening culminated in a delightful social dinner strengthening the bonds between project partners. We enjoyed lively conversations over a glass of the renowned for its good taste Bordeaux wine and the region’s signature Confit de Canard, a tender duck dish slow-cooked in its own fat.
A special thanks goes to Polyrise for their exceptional organization and hospitality, ensuring a productive and inspiring meeting in Bordeaux. With strong collaboration and continued resolve for success, RELIANCE project remains on track to deliver groundbreaking antimicrobial nanocoatings for healthier environments.
RELIANCE Poster Presentation at FTAL 2024 Conference on Circular Economy
Researchers from Haute Ecole d’Ingénierie et d’Architecture de Fribourg (HEIA-FR) showcased RELIANCE results at FTAL 2024 conference on Circular Economy held in November 2024 at Campus Est, Lugano-Viganello, Switzerland. With a poster presentation titled “Valorizing Agro-Industrial Waste: Exploring Antimicrobial Peptides Prepared from Feather Keratin”, with lead author Justine Horner, HEIA-FR’s team displayed the progress on studying the potential of antimicrobial peptides (AMPs) derived from feather keratin, a waste product of the poultry industry. Different methods for peptides’ extraction and purification had been explored, while taking into consideration their size and structural characteristics in order to optimize their antimicrobial activity. Preliminary results are promising, detecting activity against viruses and Gram-negative bacteria. The work in the coming months will involve chemical coupling of the AMPs with the synthesized nanoparticles and applying them to surfaces though cold atmospheric plasma deposition.
The Conference organized by the Association of Swiss Schools of Engineering, Architecture and Life Sciences (FTAL) reflects the significance of the circular economy concept, leading to a growing number of governmental, societal and business stakeholders to take major initiatives in their quest for promising cyclical models as an alternative to the current linear ones. More than 200 people attended the conference, validating the paramount importance of circular economy for reducing environmental impact, creating fair economic opportunities and building valuable models capable of facing challenging global dynamics.
The goals of FTAL 2024 Conference on Circular Economy were as follows:
Promoting exchanges between the different disciplines encompassed by Circular Economy, offering new insights and research challenges.
Receiving new input from international experts to advance the current research.
Connecting practitioners and researchers to mutually boost development of grounded theories and their application.
Presenting the state-of-the-art of circular frameworks and solutions.
Presentations included the state of the art of today’s research but also addressed topics such as resource efficiency, value retention, localization, circular environment, circular bioeconomy and other new business, production and market approaches.
The 2024th edition of the Environmental Chemistry Congress (EnviroChem) took place from November 5 to 8, 2024, at the Karadeniz Technical University, Osman Turan Congress Centre in Trabzon, Turkey.
Hosted by the Turkish Chemist Society, this gathering focused on various environmental chemistry fields, drawing experts and researchers worldwide to discuss challenges and advancements in pollution management, sustainable materials, toxicology, and more. Beyond the main sessions, the program encompassed oral and poster sessions, with awards for top posters, as well as stand areas for networking accompanied by refreshments.
The RELIANCE project was represented by Prof. Fabiana Arduini, from the University of Rome Tor Vergata (UNITOV), who participated as an invited speaker. The congress united an audience of about one hundred professionals, researchers, and students, with several backgrounds, all united in the perfect setting that encouraged an engaging and collaborative atmosphere.
The main topics of the conferences included:
Air Chemistry and Pollution
Water Chemistry and Pollution
Toxicological Chemistry
Waste Minimization, Utilization, and Treatment
Green Chemistry and Industrial Ecology
Sources and Sustainable Materials, Energy
Analysis and Monitoring.
Titled “Nanomodified Paper-Based Electrochemical (Bio)sensors for Smart and Sustainable Environmental Analyses”, Fabiana Arduini shared her research journey and findings on developing innovative electrochemical devices that are both efficient and eco-friendly. This topic aligns closely with the themes of Analysis and Monitoring and Green Chemistry, as it addresses the need for sustainable yet highly effective tools for environmental monitoring.
The focus of Prof. Fabiana’s presentation was on paper-based electrochemical (bio)sensors, which provided significant benefits compared to traditional sensors, especially regarding sustainability and functionality. This technology became an attractive option because of its eco-friendly design, which removed the necessity for non-biodegradable materials like polyester and permits incineration after use, thus minimizing waste. In contrast to conventional sensors, these paper-based devices can be easily combined with vertical microfluidics, serving as reservoirs for advanced sensing capabilities.
At the conference, Fabiana Arduini shared the results obtained in the RELIANCE project, highlighting the most recent outcomes of our research efforts. RELIANCE has played a crucial role in advancing this technology, supporting the development of nano-modified sensors that can accurately detect essential oils (used as disinfectants), while maintaining a low ecological footprint. These developments have generated significant interest from the public, who are keen to learn about the technological and practical implications of our work.
This presentation and the following discussion emphasized the importance of sustainable sensing technology in tackling environmental issues. She highlighted the potential of these devices to fill critical gaps in monitoring capabilities, especially as regulatory standards for pollution detection become more rigorous. The feedback from the audience stimulated fresh ideas and viewpoints in her ongoing research.
This conference also served as a reminder of the crucial role that environmental chemistry plays in shaping a sustainable future.
Taking place from 20 to 23 October 2024 in Brno, Czech Republic, the 2nd BioExcel Conference on Advances in Biomolecular Simulations brought together the biomolecular research community to explore the latest trends, updates and challenges in the fields of integrative modelling, free energy and drug design, workflows, automation and data integration.
The event encompassed topics including Molecular Dynamics, Free Energy Calculations, Integrative Modelling, Force Field Development, Coarse-Graining, QM/MM, AI, Applications of Biomolecular Simulation Methods, and more. It gathered a wide range of stakeholders, including academics and researchers ranging from chemists, chemical engineers, and biologists to computer and information scientists.
The RELIANCE project was represented by our partners from the University of Patras (UPAT) who did an oral and poster presentation at the conference. Georgios Leonis shared the current research outcomes of RELIANCE regarding the computational modeling of specific bio- and nanostructures as promising antimicrobial agents. He outlined the modes of interaction between biologically relevant structures (i.e., essential oils, copper-based nanoparticles) and proteins that directly modulate antimicrobial actions. Furthermore, he explained how these results paved the way for significant advances in the rational design of novel compounds with optimal antimicrobial activity and elucidated the correlation between the molecular mechanism of action and physiological responses to pathogens.
During the poster session, Katerina Karadima also presented an overview of the team’s work developed within RELIANCE activities. She delved into the structural dynamics of keratin-derived antimicrobial peptides (KAMPs) in both dilute and semi-dilute solutions, highlighting recent findings on their interactions with model Gram-positive and Gram-negative bacterial membranes. Additionally, she explored the stability of pre-assembled pores and the role of KAMPs integrated into the bilayer membrane.
Surface view of KAMP-18C pre-assembled pore in model Gram-positive membrane
The RELIANCE project was prominently presented at the International Symposium on Biopolymers (ISBP) 2024, held this year in Malaysia. With its theme, “Towards Safe and Sustainable Biopolymers for our Future,” ISBP 2024 brought together 299 participants from 34 countries, all working towards advancing the science and applications of biopolymers. The conference was organized by University Sains Malaysia and featured an impressive array of topics, to include the synthesis and application of novel biopolymers, sustainable production pathways and the biodegradability of bio-based plastics.
RELIANCE’s contributions to biopolymer research were highlighted by Professor Roger Marti, a key member of the project’s consortium along with HEIA-FR team, in a keynote lecture on “Keratin from Chicken Feathers as Functional Additive.” His presentation, focused on the innovative use of keratin as an additive in bioplastics, sparked considerable interest from a big audience of attendees. It constituted a valuable contribution to the ISBP’s main emphasis on polyhydroxyalkanoates (PHA), a special class of naturally occurring polyester with unique biodegradable properties, such as complete and fast degradation in sea water and soil, and blended perfectly with the conference’s special sessions on other bio-based natural polymers, such as silk protein, polyamides and polyester, based on bio-based monomers. In a unique way, the ISBP 2024 illustrated the growing intersection between two fascinating biopolymers, keratin & PHA, revealing their promising potential for sustainable industrial applications. The engaging discussions continued in the coffee breaks, with making new contacts, opening avenues for new partnerships and further research collaborations within the community.
Professor Marti’s active role extended beyond his presentation; as a member of the ISBP Scientific Committee, he also served on the poster evaluation board, sharing insights and engaging with young scientists. “It was inspiring to witness”, he shares, “their motivation to bring sustainable chemistry to applications, throughout the conference, which featured 83 poster presentations and 86 oral presentations.”
ISBP 2024 was a landmark event showcasing the field’s long-standing contributions to sustainable science. The next iteration is set to take place at the University College Dublin, Ireland, where the future of biopolymer research and innovation will continue to be shaped.
On September 5, 2024, the Department of Chemistry at the University of Fribourg hosted the SCS Fall Meeting, one of Switzerland’s largest and most anticipated research conferences.
Organized by the Swiss Chemical Society, this annual gathering serves as an invaluable platform for sharing the latest advancements and cultivating connections across the chemical sciences community. The SCS Fall Meeting is a staple in Swiss chemistry, drawing over a thousand participants each year and offering a rare blend of academic rigor, networking, and inspiration. For decades, it has welcomed senior scientists eager to share their latest research breakthroughs and provided young chemists with the exciting chance to present their findings—often for the first time in such a distinguished setting.
The 2024 program was packed with enriching sessions that offered both depth and diversity across chemical sciences. Highlights included:
Poster session & exhibition where emerging researchers presented innovative projects, complemented by a commercial exhibition showcasing industry advancements.
Plenary sessions featuring lectures by four esteemed SCS award winners of 2024, each delivering insights on groundbreaking research.
Award ceremony recognizing excellence in oral and poster presentations.
Nine thematic sessions with keynote lectures and dedicated 15-minute PhD presentations, covering topics from analytical sciences to organic chemistry.
A poster presentation by our partners from The School of Engineering and Architecture (HEIA-FR) showcased their innovative work on extracting, isolating, and purifying antimicrobial peptides (AMPs) from chicken feathers. Their approach—evaluating multiple extraction and purification methods—opened new possibilities for sustainable bioproducts, contributing to the meeting’s theme of advancing chemistry for a better world.
The SCS Fall Meeting 2024 exemplified the power of collaboration and shared knowledge in driving chemistry forward. With its unique blend of cutting-edge research and community spirit, the meeting left participants inspired and connected, ready to apply new insights to their work.
The RELIANCE project, represented by partner Centexbel, took center stage at INFOHappening 2024 in Zwijnaarde, Belgium, held from May 28 to 31. The project was featured in an oral presentation titled “Designing PU for Sustainable Coatings, showcasing important outcomes obtained from the project activities.
During this session, participants were introduced by David de Smet to the pioneering results of a wash-resistant, bio-based polyurethane (PU) coating developed by Centexbel, showing RELIANCE advancements on environmentally conscious materials in textile applications.
INFOHappening is an annual, free-to-attend event hosted by Centexbel that brings together industry leaders and innovators in textile coating, finishing, and printing. The 2024 edition brought together 20 companies specializing in in textile chemistry and coatings, coming together to explore a range of cutting-edge themes.
The topics of the programme during the workshop encompassed:
Paving the way for sustainable flooring
Plasma treatment of hemp fabrics for composite applications
Safety considerations when working with carbon fibres
Flame retardant biobased epoxies
Physical testing of coated & printed materials
Designing sustainable PU for coatings
Biodegradable coatings for textiles and packaging
PHA based plastisols as an alternative for PVC in artificial leather
Biobased screenprinting and microfibre release finishes for apparel
INFOHappening 2024 proved once again to be an invaluable event for fostering new ideas and inspiring eco-friendly innovations in the textile industry.
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