NanoInformatics Approaches for Safe-by-Design NanoMaterials

Project Information

CompSafeNano

Grant agreement ID: 101008099

DOI

10.3030/101008099

EC signature date 13 October 2020

Start date 1 September 2021

End date 31 August 2026

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 2 093 000,00

EU contribution

€ 1 748 000,00

Coordinated by

NOVAMECHANICS LIMITED
Cyprus

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Documents, reports (7)

Report on the deployment of the CompSafeNano Database
Inventory of SbD intervention points linked to NMs properties, biointeractions, uptake & toxicogenomics
Report on compatibility between NGRA approach and current nanoinformatics methodologies
Curation of publicly available omics data
Collection, curation & organization into machine-readable format of NMs data
Catalogue of NMs-specific and NMs-relevant biomarkers and their co-variance and time-evolution
Computational atomistic models of NM surface and NM extrinsic descriptors

Other (1)

Project web site

Publications

Peer reviewed articles (32)

Novel Technologies towards the Implementation and Exploitation of “Green” Wireless Agriculture Sensors

Author(s): Vassiliou L, Nadeem A, Chatzichristodoulou D, Vryonides P, Nikolaou S.
Published in: Sensors, 2024, ISSN 1424-8220
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/s24113465

In vitro to in vivo extrapolation to support the development of the next generation risk assessment (NGRA) strategy for nanomaterials

Author(s): Karolina Jagiello and Krzesimir Ciura
Published in: Nanoscale, 2022, ISSN 2040-3372
Publisher: RSC
DOI: 10.1039/d2nr00664b

Automated machine learning in nanotoxicity assessment: A comparative study of predictive model performance

Author(s): Xiao Xiao, Tung X. Trinh, Zayakhuu Gerelkhuu, Eunyong Ha, Tae Hyun Yoon
Published in: CSBJ, 2024, ISSN 2001-0370
Publisher: Elsevier
DOI: 10.1016/j.csbj.2024.02.003

scRNA-seq analysis discovered suppression of immunomodulatory dependent inflammatory response in PMBCs exposed to silver nanoparticles

Author(s): Haribalan Perumalsamy, Xiao Xiao, Hyun-Yi Kim & Tae-Hyun Yoon
Published in: Journal of Nanobiotechnology, 2024, ISSN 1477-3155
Publisher: BioMed Central
DOI: 10.1186/s12951-024-02364-0

Lack of mutagenicity of TiO2 nanoparticles in vitro despite cellular and nuclear uptake

Author(s): Naouale El Yamani, Laura Rubio, Alba García-Rodríguez, Alena Kažimírová, Elise Rundén-Pran, Barančoková Magdalena, Ricard Marcos, Maria Dusinska
Published in: Mutation Research/Genetic Toxicology and Environmental Mutagenesis, Issue 882, 2024, Page(s) 503545, ISSN 1383-5718
Publisher: Elsevier BV
DOI: 10.1016/j.mrgentox.2022.503545

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

Author(s): Nina Jeliazkova, Eleonora Longhin, Naouale El Yamani, Elise Rundén-Pran, Elisa Moschini, Tommaso Serchi, Ivana Vinković Vrček, Michael J. Burgum, Shareen H. Doak, Mihaela Roxana Cimpan, Ivan Rios-Mondragon, Emil Cimpan, Chiara L. Battistelli, Cecilia Bossa, Rositsa Tsekovska, Damjana Drobne, Sara Novak, Neža Repar, Ammar Ammar, Penny Nymark, Veronica Di Battista, Anita Sosnowska, Tomasz Puzyn,
Published in: Nature Protocols, 2024, ISSN 1754-2189
Publisher: Nature Publishing Group
DOI: 10.1038/s41596-024-00993-1

Reconfigurable absorptive and polarization conversion metasurface consistent for wide angles of incidence

Author(s): Ahsaan Gul Hassan, Muhammad Sumaid, Fahad Ahmed, Nosherwan Shoaib, Qammer H. Abbasi & Symeon Nikolaou
Published in: Scientific Reports, 2023, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-023-45351-5

Picometer-precision few-tilt ptychotomography of 2D materials

Author(s): Christoph Hofer; Kimmo Mustonen; Viera Skákalová; Timothy J Pennycook
Published in: 2053-1583, Issue 5, 2023, ISSN 2053-1583
Publisher: IOP science
DOI: 10.1088/2053-1583/acdd80

Toward Nano‐Specific In Silico NAMs: How to Adjust Nano‐QSAR to the Recent Advancements of Nanotoxicology?

Author(s): Krzesimir Ciura, Elisa Moschini, Maciej Stępnik, Tommaso Serchi, Arno Gutleb, Kamila Jarzyńska, Karolina Jagiello, Tomasz Puzyn
Published in: Small, Issue 20, 2024, ISSN 1613-6810
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.202305581

In Vitro Toxicological Insights from the Biomedical Applications of Iron Carbide Nanoparticles in Tumor Theranostics: A Systematic Review and Meta-Analysis

Author(s): Maria Antoniou, Georgia Melagraki, Iseult Lynch, Antreas Afantitis
Published in: Nanomaterials, Issue 14, 2024, Page(s) 734, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano14090734

Biotransformation of nanoplastics in human plasma and their permeation through a model in vitro blood-brain barrier: An in-depth quantitative analysis

Author(s): Fazel Abdolahpur Monikh, Šárka Lehtonen, Jukka Kekäläinen, Isabel Karkossa, Seppo Auriola, Kristin Schubert, Alessandra Zanut, Sanni Peltonen, Jonna Niskanen, Mandar Bandekar, Martin von Bergen, Jari T.T. Leskinen, Arto Koistinen, Sara Bogialli, Zhiling Guo, Jussi V.K. Kukkonen, Chunying Chen, Iseult Lynch
Published in: Nano Today, Issue 59, 2024, Page(s) 102466, ISSN 1748-0132
Publisher: Elsevier BV
DOI: 10.1016/j.nantod.2024.102466

Z-scheme Fe@Fe2O3/BiOBr heterojunction with efficient carrier separation for enhanced heterogeneous photo-Fenton activity of tetracycline degradation: Fe2+ regeneration, mechanism insight and toxicity evaluation

Author(s): Xiangyu Wang, Xian Lin, Xi Wu, Iseult Lynch
Published in: Environmental Research, 2024, ISSN 0013-9351
Publisher: Academic Press
DOI: 10.1016/j.envres.2024.118396

NPCoronaPredict: A Computational Pipeline for the Prediction of the Nanoparticle–Biomolecule Corona

Author(s): Ian Rouse, David Power, Julia Subbotina, Vladimir Lobaskin
Published in: Journal of Chemical Information and Modeling, Issue 64, 2024, Page(s) 7525-7543, ISSN 1549-9596
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.4c00434

ASCOT: A web tool for the digital construction of energy minimized Ag, CuO, TiO2 spherical nanoparticles and calculation of their atomistic descriptors

Author(s): Panagiotis D. Kolokathis Evangelos Voyiatzis Nikolaos K. Sidiropoulos Andreas Tsoumanis Georgia Melagraki Kaido Tämm Iseult Lynch Antreas Afantitis
Published in: CSBJ, 2024, ISSN 2001-0370
Publisher: Elsevier
DOI: 10.1016/j.csbj.2024.03.011

Current status and future challenges of genotoxicity OECD Test Guidelines for nanomaterials: a workshop report

Author(s): Shareen H Doak, Cristina Andreoli, Michael J Burgum, Qasim Chaudhry, Eric A J Bleeker, Cecilia Bossa, Josefa Domenech, Damjana Drobne, Valérie Fessard, Nina Jeliazkova, Eleonora Longhin, Elise Rundén-Pran, Maciej Stępnik, Naouale El Yamani, Julia Catalán, Maria Dusinska
Published in: Mutagenesis, Issue 38, 2023, Page(s) 183-191, ISSN 0267-8357
Publisher: Oxford University Press
DOI: 10.1093/mutage/gead017

Construction of urchin-like core-shell Fe/Fe2O3@UiO-66 hybrid for effective tetracycline reduction and photocatalytic oxidation

Author(s): Xiangyu Wang, Min Jiang, Iseult Lynch, Zhiling Guo, Peng Zhang, Lisi Wu, Jun Ma
Published in: Environmental Pollution, 2023, ISSN 0269-7491
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.envpol.2023.122280

Machine-learning based prediction of small molecule–surface interaction potentials

Author(s): Ian Rouse; Vladimir Lobaskin
Published in: Faraday Discussions, Issue 1, 2023, ISSN 1359-6640
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2fd00155a

Strategies to improve photocatalytic activity of nanoscale zero valent iron decorated MoS2: Construction of novel S-scheme nanoflower heterojunction with advanced visible-light degradation of tetracycline

Author(s): Xi Wu, Xiangyu Wang, Iseult Lynch, Zhiling Guo, Peng Zhang, Lisi Wu, Youxue Deng, Yu Xie, Ping Ning, Nanqi Ren
Published in: Journal of Cleaner Production, 2023, ISSN 0959-6526
Publisher: Elsevier BV
DOI: 10.1016/j.jclepro.2023.135865

An In Vitro Dosimetry Tool for the Numerical Transport Modeling of Engineered Nanomaterials Powered by the Enalos RiskGONE Cloud Platform

Author(s): Nikolaos Cheimarios; Barbara Pem; Andreas Tsoumanis; Krunoslav Ilić; Ivana Vinković Vrček; Georgia Melagraki; Dimitrios Bitounis; Panagiotis Isigonis; Maria Dusinska; Iseult Lynch; Philip Demokritou; Antreas Afantitis
Published in: 12, Issue 4, 2022, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano12223935

In silico assessment of nanoparticle toxicity powered by the Enalos Cloud Platform: Integrating automated machine learning and synthetic data for enhanced nanosafety evaluation

Author(s): Dimitra-Danai Varsou Panagiotis D. Kolokathis Maria Antoniou Nikolaos K. Sidiropoulos Andreas Tsoumanis Anastasios G. Papadiamantis Georgia Melagraki Iseult Lynch Antreas Afantitis
Published in: Computational and Structural Biotechnology Journal, 2024, ISSN 2001-0370
Publisher: Elsevier
DOI: 10.1016/j.csbj.2024.03.020

Toward Exotic Layered Materials: 2D Cuprous Iodide

Author(s): Kimmo Mustonen, Christoph Hofer, Peter Kotrusz, Alexander Markevich, Martin Hulman, Clemens Mangler, Toma Susi, Timothy J. Pennycook, Karol Hricovini, Christine Richter, Jannik C. Meyer, Jani Kotakoski, Viera Skákalová
Published in: Advanced Materials, Issue 34, 2023, ISSN 0935-9648
Publisher: United Nations Industrial Developement Organization
DOI: 10.1002/adma.202106922

N-enriched covalent organic polymer derived nanoscale zero-valent iron for effective oxidative degradation of tetracycline

Author(s): Renchan Han, Xiangyu Wang, Iseult Lynch, Jun Ma
Published in: Journal of Environmental Chemical Engineering, 2023, ISSN 2213-3437
Publisher: Elsevier BV
DOI: 10.1016/j.jece.2023.111388

Hazard assessment of nanomaterials using in vitro toxicity assays: Guidance on potential assay interferences and mitigating actions to avoid biased results

Author(s): Naouale El Yamani, Elise Rundén-Pran, Julia Varet, Maja Beus, Maria Dusinska, Valérie Fessard, Elisa Moschini, Tommaso Serchi, Mihaela Roxana Cimpan, Iseult Lynch, Ivana Vinković Vrček
Published in: Nano Today, Issue 55, 2024, Page(s) 102215, ISSN 1748-0132
Publisher: Elsevier BV
DOI: 10.1016/j.nantod.2024.102215

Combined toxicity of fluorescent silica nanoparticles with cadmium in Ceriodaphnia dubia: Interactive effects of natural organic matter and green algae feeding

Author(s): Marcella T. Maia, Fabrício S. Delite, Gabriela Helena da Silva, Laura-Jayne A. Ellis, Anastasios G. Papadiamantis, Amauri J. Paula, Iseult Lynch, Diego Stéfani T. Martinez
Published in: Journal of Hazardous Materials, 2023, ISSN 0304-3894
Publisher: Elsevier BV
DOI: 10.1016/j.jhazmat.2023.132623

Using AOP-Wiki to support the ecotoxicological risk assessment of nanomaterials: first steps in the development of novel adverse outcome pathways

Author(s): Karolina Jagiello; Beata Judzinska; Anita Sosnowska; Iseult Lynch; Sabina Halappanavar; Tomasz Puzyn
Published in: Environmental Science-Nano, Issue 4, 2022, ISSN 2051-8161
Publisher: RSC
DOI: 10.1039/d1en01127h

Daphnia magna and mixture toxicity with nanomaterials – Current status and perspectives in data-driven risk prediction

Author(s): Diego Stéfani T. Martinez, Laura-Jayne A. Ellis, Gabriela H. Da Silva, Romana Petry, Aline M.Z. Medeiros, Hossein Hayat Davoudi, Anastasios G. Papadiamantis, Adalberto Fazzio, Antreas Afantitis, Georgia Melagraki, Iseult Lynch
Published in: Nanotoday, 2022, ISSN 1748-0132
Publisher: Elsevier BV
DOI: 10.1016/j.nantod.2022.101430

Exceptional photo-elimination of antibiotic by a novel Z-scheme heterojunction catalyst composed of nanoscale zero valent iron embedded with carbon quantum dots (CQDs)-black TiO2

Author(s): Xi Wu, Xiangyu Wang, Iseult Lynch, Zhiling Guo, Peng Zhang, Lisi Wu, Ping Ning, Nanqi Ren
Published in: Journal of Hazardous Materials, 2023, ISSN 0304-3894
Publisher: Elsevier BV
DOI: 10.1016/j.jhazmat.2023.132323

A bibliometric analysis of the recent achievements in pulmonary safety of nanoparticles

Author(s): Falkiewicz, K., Fryca, I., Ciura, K., Mikolajczyk, A., Jagiello, K., & Puzyn, T
Published in: Nanotoxicology, 2023, ISSN 1743-5390
Publisher: Informa Healthcare
DOI: 10.1080/17435390.2023.2276411

The impact of G-CSF on mouse immune cells in alcoholic liver disease, focusing on variations in T cells and their subsets

Author(s): Sehee Park, Haribalan Perumalsamy, Ji Eun Kim, Hye Young Kim, Dae Won Jun, Tae Hyun Yoon
Published in: Biomedicine & Pharmacotherapy, Issue 178, 2024, Page(s) 117175, ISSN 0753-3322
Publisher: Elsevier Masson
DOI: 10.1016/j.biopha.2024.117175

NanoConstruct: A web application builder of ellipsoidal nanoparticles for the investigation of their crystal growth, stability, and the calculation of atomistic descriptors

Author(s): Panagiotis D. Kolokathis Dimitrios Zouraris Evangelos Voyiatzis Nikolaos K. Sidiropoulos Andreas Tsoumanis Georgia Melagraki Kaido Tämm Iseult Lynch Antreas Afantitis
Published in: CSBJ, 2024, ISSN 2001-0370
Publisher: Elsevier
DOI: 10.1016/j.csbj.2024.05.039

High-efficiency removal of tetracycline from water by electrolysis-assisted NZVI: mechanism of electron transfer and redox of iron

Author(s): Xiangyu Wang; Xiangmei Wang; Iseult Lynch; Jun Ma
Published in: RSC Advances, Issue 5, 2023, ISSN 2046-2069
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3ra00954h

A Network Toxicology Approach for Mechanistic Modelling of Nanomaterial Hazard and Adverse Outcomes

Author(s): Giusy del Giudice, Angela Serra, Alisa Pavel, Marcella Torres Maia, Laura Aliisa Saarimäki, Michele Fratello, Antonio Federico, Harri Alenius, Bengt Fadeel, Dario Greco
Published in: Advanced Science, Issue 11, 2024, Page(s) 2400389, ISSN 2198-3844
Publisher: Wiley
DOI: 10.1002/advs.202400389