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1. A template wizard for the cocreation of machine-readable data-reporting to harmonize the evaluation of (nano)materials

Author

Jeliazkova, Nina, Longhin, Eleonora, El Yamani, Naouale, Rundén-Pran, Elise, Moschini, Elisa, Serchi, Tommaso, Vrček, Ivana Vinković, Burgum, Michael J., Doak, Shareen H., Cimpan, Mihaela Roxana, Rios-Mondragon, Ivan, Cimpan, Emil, Battistelli, Chiara L., Bossa, Cecilia, Tsekovska, Rositsa, Drobne, Damjana, Novak, Sara, Repar, Neža, Ammar, Ammar, Nymark, Penny, Di Battista, Veronica, Sosnowska, Anita, Puzyn, Tomasz, Kochev, Nikolay, Iliev, Luchesar, Jeliazkov, Vedrin, Reilly, Katie, Lynch, Iseult, Bakker, Martine, Delpivo, Camila, Sánchez Jiménez, Araceli, Fonseca, Ana Sofia, Manier, Nicolas, Fernandez-Cruz, María Luisa, Rashid, Shahzad, Willighagen, Egon, D Apostolova, Margarita, and Dusinska, Maria

Published
2024
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2. A template wizard for the cocreation of machine-readable data-reporting to harmonize the evaluation of (nano)materials

Author

European Commission, Slovenian Research Agency, Norwegian Research Council, Jeliazkova, Nina [0000-0002-4322-6179], Longhin, Eleonora [0000-0002-3939-7135], El Yamani, Naouale [0000-0001-5456-8230], Rundén-Pran, Elise [0000-0002-5541-4513], Moschini, Elisa [0000-0001-9825-6263], Serchi, Tommaso [0000-0003-2386-3514], Vrček, Ivana Vinković [0000-0003-1382-5581], Burgum, Michael J. [0000-0002-3123-8914], Doak, Shareen H. [0000-0002-6753-1987], Cimpan, Mihaela Roxana [0000-0003-2029-3173], Battistelli, Chiara [0000-0003-2386-0727], Bossa, Cecilia [0000-0003-2084-2902], Tsekovska, Rositsa [0000-0001-5431-5743], Drobne, Damjana [0000-0002-5970-7460], Novak, Sara [0000-0003-0026-456X], Repar, Neža [0000-0003-4310-0362], Ammar, Ammar [0000-0002-8399-8990], Nymark, Penny [0000-0002-3435-7775], Di Battista, Veronica [0000-0002-6491-9185], Sosnowska, Anita [0000-0003-3288-4309], Puzyn, Tomasz [0000-0003-0449-8339], Kochev, Nikolay [0000-0001-6547-3675], Iliev, Luchesar [0000-0001-7000-8890], Jeliazkov, Vedrin [0000-0002-1520-5995], Reilly, Katie [0000-0002-6054-0645], Lynch, Iseult [0000-0003-4250-4584], Bakker, Martine [0000-0001-8379-7016], Delpivo, Camila [0000-0002-4413-7602], Sánchez-Jiménez, A. [0000-0002-2625-9155], Fonseca, Ana Sofia [0000-0002-1424-6365], Manier, Nicolas [0000-0003-3873-6657], Fernández-Cruz, M. L. [0000-0001-5988-1939], Rashid, Shahzad [0009-0002-3525-6607], Willighagen, Egon L. [0000-0001-7542-0286], Apostolova, Margarita D. [0000-0001-7188-506X], Dusinska, Maria [0000-0003-1358-1652], Jeliazkova, Nina, Longhin, Eleonora, El Yamani, Naouale, Rundén-Pran, Elise, Moschini, Elisa, Serchi, Tommaso, Vrček, Ivana Vinković, Burgum, Michael J., Doak, Shareen H., Cimpan, Mihaela Roxana, Rios-Mondragon, Ivan, Cimpan, Emil, Battistelli, Chiara, Bossa, Cecilia, Tsekovska, Rositsa, Drobne, Damjana, Novak, Sara, Repar, Neža, Ammar, Ammar, Nymark, Penny, Di Battista, Veronica, Sosnowska, Anita, Puzyn, Tomasz, Kochev, Nikolay, Iliev, Luchesar, Jeliazkov, Vedrin, Reilly, Katie, Lynch, Iseult, Bakker, Martine, Delpivo, Camila, Sánchez-Jiménez, A., Fonseca, Ana Sofia, Manier, Nicolas, Fernández-Cruz, M. L., Rashid, Shahzad, Willighagen, Egon L., Apostolova, Margarita D., Dusinska, Maria, European Commission, Slovenian Research Agency, Norwegian Research Council, Jeliazkova, Nina [0000-0002-4322-6179], Longhin, Eleonora [0000-0002-3939-7135], El Yamani, Naouale [0000-0001-5456-8230], Rundén-Pran, Elise [0000-0002-5541-4513], Moschini, Elisa [0000-0001-9825-6263], Serchi, Tommaso [0000-0003-2386-3514], Vrček, Ivana Vinković [0000-0003-1382-5581], Burgum, Michael J. [0000-0002-3123-8914], Doak, Shareen H. [0000-0002-6753-1987], Cimpan, Mihaela Roxana [0000-0003-2029-3173], Battistelli, Chiara [0000-0003-2386-0727], Bossa, Cecilia [0000-0003-2084-2902], Tsekovska, Rositsa [0000-0001-5431-5743], Drobne, Damjana [0000-0002-5970-7460], Novak, Sara [0000-0003-0026-456X], Repar, Neža [0000-0003-4310-0362], Ammar, Ammar [0000-0002-8399-8990], Nymark, Penny [0000-0002-3435-7775], Di Battista, Veronica [0000-0002-6491-9185], Sosnowska, Anita [0000-0003-3288-4309], Puzyn, Tomasz [0000-0003-0449-8339], Kochev, Nikolay [0000-0001-6547-3675], Iliev, Luchesar [0000-0001-7000-8890], Jeliazkov, Vedrin [0000-0002-1520-5995], Reilly, Katie [0000-0002-6054-0645], Lynch, Iseult [0000-0003-4250-4584], Bakker, Martine [0000-0001-8379-7016], Delpivo, Camila [0000-0002-4413-7602], Sánchez-Jiménez, A. [0000-0002-2625-9155], Fonseca, Ana Sofia [0000-0002-1424-6365], Manier, Nicolas [0000-0003-3873-6657], Fernández-Cruz, M. L. [0000-0001-5988-1939], Rashid, Shahzad [0009-0002-3525-6607], Willighagen, Egon L. [0000-0001-7542-0286], Apostolova, Margarita D. [0000-0001-7188-506X], Dusinska, Maria [0000-0003-1358-1652], Jeliazkova, Nina, Longhin, Eleonora, El Yamani, Naouale, Rundén-Pran, Elise, Moschini, Elisa, Serchi, Tommaso, Vrček, Ivana Vinković, Burgum, Michael J., Doak, Shareen H., Cimpan, Mihaela Roxana, Rios-Mondragon, Ivan, Cimpan, Emil, Battistelli, Chiara, Bossa, Cecilia, Tsekovska, Rositsa, Drobne, Damjana, Novak, Sara, Repar, Neža, Ammar, Ammar, Nymark, Penny, Di Battista, Veronica, Sosnowska, Anita, Puzyn, Tomasz, Kochev, Nikolay, Iliev, Luchesar, Jeliazkov, Vedrin, Reilly, Katie, Lynch, Iseult, Bakker, Martine, Delpivo, Camila, Sánchez-Jiménez, A., Fonseca, Ana Sofia, Manier, Nicolas, Fernández-Cruz, M. L., Rashid, Shahzad, Willighagen, Egon L., Apostolova, Margarita D., and Dusinska, Maria

Abstract

Making research data findable, accessible, interoperable and reusable (FAIR) is typically hampered by a lack of skills in technical aspects of data management by data generators and a lack of resources. We developed a Template Wizard for researchers to easily create templates suitable for consistently capturing data and metadata from their experiments. The templates are easy to use and enable the compilation of machine-readable metadata to accompany data generation and align them to existing community standards and databases, such as eNanoMapper, streamlining the adoption of the FAIR principles. These templates are citable objects and are available as online tools. The Template Wizard is designed to be user friendly and facilitates using and reusing existing templates for new projects or project extensions. The wizard is accompanied by an online template validator, which allows self-evaluation of the template (to ensure mapping to the data schema and machine readability of the captured data) and transformation by an open-source parser into machine-readable formats, compliant with the FAIR principles. The templates are based on extensive collective experience in nanosafety data collection and include over 60 harmonized data entry templates for physicochemical characterization and hazard assessment (cell viability, genotoxicity, environmental organism dose-response tests, omics), as well as exposure and release studies. The templates are generalizable across fields and have already been extended and adapted for microplastics and advanced materials research. The harmonized templates improve the reliability of interlaboratory comparisons, data reuse and meta-analyses and can facilitate the safety evaluation and regulation process for (nano) materials.

Published
2024

3. The oxidative potential of nanomaterials: an optimized high-throughput protocol and interlaboratory comparison for the ferric reducing ability of serum (FRAS) assay.

Author

Ruijter, Nienke, Boyles, Matthew, Braakhuis, Hedwig, Ayerbe Algaba, Rafael, Lofty, Morgan, di Battista, Veronica, Wohlleben, Wendel, Cassee, Flemming R., and Candalija, Ana

Subjects
REACTIVE oxygen species, SUSTAINABLE design, OXIDATIVE stress, NEW product development, NANOSTRUCTURED materials
Abstract

Successful implementation of Safe and Sustainable by Design (SSbD) and grouping approaches requires simple, reliable, and cost-effective assays to facilitate hazard screening at early stages of product development. Especially for nanomaterials (NMs), which exist in many different forms, efficient hazard screening is of utmost importance. Oxidative potential (OP), which is the ability of a substance to induce reactive oxygen species (ROS), is an important indicator of the potential to induce oxidative damage and oxidative stress. A frequently used assay to measure OP of NMs is the ferric reducing ability of serum (FRAS) assay. Although the widely used cuvette-based FRAS protocol is considered a robust assay, its low throughput makes the screening of multiple materials challenging. Here, we adapt the original cuvette-based FRAS assay protocol, into a 96-well format and thereby improve its user-friendliness, simplicity, and screening capacity. The adapted protocol allows for the screening of multiple NMs per plate, and multiple plates per day, where the original protocol allows for the screening of one NM dose-range per day. When comparing the two protocols, the adapted protocol showed slightly decreased assay precision as compared to the original protocol. The results obtained with the adapted protocol were compared using eight reference NMs in an interlaboratory study and showed acceptably low intra- and interlaboratory variation. We conclude that the adapted FRAS assay protocol is suitable to be used for hazard screening to facilitate SSbD and grouping approaches. [ABSTRACT FROM AUTHOR]

Published
2024
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5. Similarity of multicomponent nanomaterials in a safer-by-design context:the case of core-shell quantum dots

Author

Di Battista, Veronica, Sanchez-Lievanos, Karla R., Jeliazkova, Nina, Murphy, Fiona, Tsiliki, Georgia, Zabeo, Alex, Gajewicz-Skretna, Agnieszka, Mikołajczyk, Alicja, Hristozov, Danail, Stone, Vicki, Schmid, Otmar, Hunt, Neil, Oomen, Agnes G., Wohlleben, Wendel, Di Battista, Veronica, Sanchez-Lievanos, Karla R., Jeliazkova, Nina, Murphy, Fiona, Tsiliki, Georgia, Zabeo, Alex, Gajewicz-Skretna, Agnieszka, Mikołajczyk, Alicja, Hristozov, Danail, Stone, Vicki, Schmid, Otmar, Hunt, Neil, Oomen, Agnes G., and Wohlleben, Wendel

Abstract

Concepts of similarity, such as grouping, categorization, and read-across, enable a fast comparative screening of hazard, reducing animal testing. These concepts are established primarily for molecular substances. We demonstrate the development of multi-dimensional similarity assessment methods that can be applied to multicomponent nanomaterials (MCNMs) for the case of core-shell quantum dots (QDs). The term ‘multicomponent’ refers to their structural composition, which consists of up to four different heavy metals (cadmium, zinc, copper, indium) in different mass percentages, with different morphologies and surface chemistries. The development of concepts of similarity is also motivated by the increased need for comparison of innovative against conventional materials in the safe and sustainable by design (SSbD) context. This case study thus considers the industrial need for an informed balance of functionality and safety: we propose two different approaches to compare and rank the case study materials amongst themselves and against well-known benchmark materials, here ZnO NM110, BaSO4 NM220, TiO2 NM105, and CuO. Relative differences in the sample set are calibrated against the biologically relevant range. The choice of properties that are subjected to similarity assessment is guided by the integrated approaches to testing and assessment (IATA) for the inhalation hazard of simple nanomaterials, which recommends characterizing QDs by (i) dynamic dissolution in lung simulant fluids and (ii) the surface reactivity in the abiotic ferric reducing ability of serum (FRAS) assay. In addition, the similarity of fluorescence spectra was assessed as a measure of the QD performance for the intended functionality as a color converter. We applied two approaches to evaluate the data matrix: in the first approach, specific descriptors for each assay (i.e., leachable mass (%) and mass based biological oxidative damage (mBOD)) were selected based on expert kn

Published
2024

8. Advanced materials earliest assessment (AMEA).

Author

Wohlleben, Wendel, Persson, Michael, Suarez-Merino, Blanca, Baun, Anders, Di Battista, Veronica, Dekkers, Susan, van Someren, Eugene P., Broßell, Dirk, Stahlmecke, Burkhard, Wiemann, Martin, Schmid, Otmar, and Haase, Andrea

Published
2024
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12. Oxide-Perovskites for Automotive Catalysts Biotransform and Induce Multicomponent Clearance and Hazard

Author

Di Battista, Veronica, Danielsen, Pernille Høgh, Gajewicz-Skretna, Agnieszka, Kedziorski, Andrzej, Seiffert, Svenja B., Ma-Hock, Lan, Berthing, Trine, Mortensen, Alicja, Sundermann, Andreas, Skjolding, Lars Michael, Vogel, Ulla, Baun, Anders, and Wohlleben, Wendel

Abstract

Oxide-perovskites designed for automotive catalysts contain multiple metal elements whose presence is crucial to achieving the targeted performance. They are highly stable in exhaust operating conditions; however, little is known about their stability under physiological conditions. As some of the metallic components are hazardous to humans and the environment, perovskite benefits in cleaner air must be balanced with risks in a Safe and Sustainable Design (SSbD) approach. New approach methodologies (NAMs), including in chemico and in silico methods, were used for testing hazards and benefits, including catalytic activity and tolerance for temporary excess of oxygen under dynamic driving conditions. The composition and surface properties of six different lanthanum-based oxide-perovskites compromised their stability under lung physiological conditions, influencing the oxidative damage of the particles and the bioacessibility of leaching metals. We found consistent biotransformation of the oxide-perovskite materials at pH 4.5. The leached lanthanum ions, but not other metals, respeciated into lanthanum phosphate nanoparticles, which increased the overall oxidative damage in additive synergy. The NAM results in the presented SSbD approach were challenged by in vivo studies in rats and mice, which confirmed multicomponent clearance from lungs into urine and supported the comparative ranking of effects against well-characterized spinel materials. Among the perovskites, the version with reduced nickel content and doped with palladium offered the best SSbD balance, despite not improving the conventional benchmark catalytic performance and related sustainability benefits. Redesign by industry may be necessary to better fulfill all SSbD dimensions.

Published
2024
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13. Click-ready iridium(iii) complexes as versatile bioimaging probes for bioorthogonal metabolic labeling.

Author

Rigolot V, Simon C, Bouchet A, Lancel L, Di Battista V, Karpov D, Vauzeilles B, Spriet C, Sliwa M, Bohic S, Biot C, and Lion C

Abstract

Herein, we report the synthesis, photophysical characterization and validation of iridium(iii)-polypyridine complexes functionalized for click chemistry and bioorthogonal chemistry, as well as their versatile applications as probes in bioimaging studies exploiting metabolic labeling. The designed dyes are conjugated to chemical reporters in a specific manner within cells by CuAAC ligation and display attractive photophysical properties in the UV-visible range. They are indeed highly photostable and emit in the far-red to near-IR region with long lifetimes and large Stokes shifts. We demonstrate that they can be efficiently used to monitor nascent intracellular sialylated glycoconjugates in bioorthogonal MOE studies with a varied panel of optical and non-optical techniques, namely conventional UV-vis laser scanning confocal microscopy (for routine purposes), UV-vis time-resolved luminescence imaging (for specificity and facilitated multiplexing with nano-environment sensitivity), synchrotron radiation based X-ray fluorescence nanoimaging (for high resolution, elemental mapping and quantification in situ ) and inductively coupled plasma mass spectrometry (for routine quantification on cell populations with high statistical confidence). The synthesized Ir(iii) complexes were utilized in single labeling experiments, as well as in dual click-labeling experiments utilizing two distinct monosaccharide reporters relevant to the same metabolic pathway., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Published
2024
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