Innovative Nanoinformatics models and tools: towards a Solid, verified and Integrated Approach to Predictive (eco)Toxicology (NanoSolveIT)

Deliverables

Definition of omicsderived predictive models and biomarkers

Set of intrinsic descriptors of selected NM

Initial version of NanoSolveIT cloud platform

Completion of existing omics data preprocessing and transfer of data to WP1

Methodology of calculation of intrinsic descriptors of NM

Report on the first half-yearly ontology releases and guidance

Report on the first halfyearly ontology releases and guidance

Set of extrinsic descriptors of NMs, descriptors of bionano interface

Set of extrinsic descriptors of NMs descriptors of bionano interface

Report summarizing the types of NM descriptors (existing and newly developed), which are not based on the experimental measurements.

Report summarizing the types of NM descriptors existing and newly developed which are not based on the experimental measurements

Report on two IATA demonstration workshops (one for SMEs, one for regulators)

Report on two IATA demonstration workshops one for SMEs one for regulators

Structural alerts report describing methods that can identify the MoA structural alerts

Initial report on automated data completeness testing and delivered data sets

Exposure/ PBTK models and relevant NM forms linked into IATA

Exposure PBTK models and relevant NM forms linked into IATA

Report on the implementation of tools as microservices

CG force fields for selected representative NMs/biomolecules

CG force fields for selected representative NMsbiomolecules

Demonstration version of IATA with models linked

Atomistic force fields for selected NMs

Report on the 3 rounds of DoE covering synthesis (1st only), characterization, tox and ecotox gap filling (2nd and 3rd rounds)

Report on the 3 rounds of DoE covering synthesis 1st only characterization tox and ecotox gap filling 2nd and 3rd rounds

Definition of hybrid predictive models comprising MOA & molecular descriptors/intrinsic properties

Definition of hybrid predictive models comprising MOA molecular descriptorsintrinsic properties

An ontology-backed data completeness standard for curation use

Architecture of NanoSolveIT e-platform and API specifications

Initial inventory of MoAs, MIEs and predictive NMs descriptors

NanoSolveIT Knowledge infrastructure API

Project web site

Initial data management plan (DMP) as part of the open data pilot

Searching for OpenAIRE data...

Publications

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

Author(s): Jeaphianne van Rijn; Antreas Afantitis; Mustafa Culha; Maria Dusinska; Thomas Exner; Nina Jeliazkova; Eleonora Longhin; Iseult Lynch; Georgia Melagraki; Penny Nymark; Anastasios G. Papadiamantis; David A. Winkler; Hulya Yilmaz; Egon Willighagen
Published in: Nanoscience, 2021
Publisher: ChemRxiv
DOI: 10.33774/chemrxiv-2021-65894

International Network Initiative on Safe and Sustainable Nanotechnologies (INISS-nano)

Author(s): Andreas Falk
Published in: INISS-nano, 1, 2021
Publisher: INISS-nano
DOI: 10.5281/zenodo.5004928

Driving the nanoinformatics wave

Author(s): Afantitis, Antreas; Lynch, Iseult
Published in: SciTech Europa Quarterly, 10, 2019
Publisher: Scitech Europa
DOI: 10.5281/zenodo.3765524

RDF version of the data from Saarimaki et al. Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials (Version 1.0.0) [Zenodo Dataset] (2020)

Author(s): Ammar Ammar
Published in: 2021
Publisher: Zenodo
DOI: 10.5281/zenodo.5744003

RDF version of the data from Anastasios G. et al. Computational enrichment of physicochemical data for the development of a zeta-potential read-across predictive model with Isalos Analytics Platform. NanoImpact (2021)

Author(s): Ammar Ammar
Published in: 2021
Publisher: Zenodo
DOI: 10.5281/zenodo.5744082

RDF version of the data from Choi, JS. et al. Towards a generalized toxicity prediction model for oxide nanomaterials using integrated data from different sources (2018)

Author(s): Ammar Ammar
Published in: 2021
Publisher: Zenodo
DOI: 10.5281/zenodo.5743204

RDF version of the data from Anastasios G. Papadiamantis et al. Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform (2020)

Author(s): Ammar Ammar
Published in: 2021
Publisher: Zenodo
DOI: 10.5281/zenodo.5743788

Two real use cases of FAIR maturity indicators in the life sciences

Author(s): Bonaretti, Serena; Willighagen, Egon
Published in: bioRxiv, 1, 2019
Publisher: bioRxiv
DOI: 10.1101/739334

RDF version of the data from Hagar I. Labouta et al. Meta-Analysis of Nanoparticle Cytotoxicity via Data-Mining the Literature. NanoImpact (2019)

Author(s): Ammar Ammar
Published in: 2021
Publisher: Zenodo
DOI: 10.5281/zenodo.5744302

A gene regulation model reveals an ancestral adaptation response to particulate exposure triggered by nanomaterials

Author(s): Giusy del Giudice Angela Serra Laura Saarimäki Konstantinos Kotsis Ian Rouse Anais Colibaba Karolina Jagiello Alicja Mikolajczyk Anastasios Papadiamantis Natasha Sanabria Pia Kinaret Evangelos Voyiatzis Georgia Melagraki Antreas Afantitis Kaido Tamm Tomasz Puzyn Mary Gulumian Vladimir Lobaskin Iseult Lynch Antonio Federico Dario Greco
Published in: Research Square, 2022, ISSN 2693-5015
Publisher: Research Square
DOI: 10.21203/rs.3.rs-1547187/v1

Advanced in silico characterization of nanomaterials for nanoparticle toxicology

Author(s): Rouse, Ian; Power, David; Brandt, Erik G.; Schneemilch, Matthew; Kotsis, Konstantinos; Quirke, Nick; Lyubartsev, Alexander P.; Lobaskin, Vladimir
Published in: arXiv, 2, 2020
Publisher: arXiv

Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data

Author(s): Papadiamantis, A.G.; Klaessig, F.C.; Exner, T.E.; Hofer, S.; Hofstaetter, N.; Himly, M.; Williams, M.A.; Doganis, P.; Hoover, M.D.; Afantitis, A.; Melagraki, G.; Nolan, T.S.; Rumble, J.; Maier, D.; Lynch, I.
Published in: Nanomaterials, 10, 2020, Page(s) 2033, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano10102033

Maternal Responses and Adaptive Changes to Environmental Stress via Chronic Nanomaterial Exposure: Differences in Inter and Transgenerational Interclonal Broods of Daphnia magna

Author(s): Laura-Jayne. A. Ellis, Stephen Kissane, Iseult Lynch
Published in: International Journal of Molecular Sciences, 22/1, 2021, Page(s) 15, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22010015

Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials

Author(s): Laura Aliisa Saarimäki, Antonio Federico, Iseult Lynch, Anastasios G. Papadiamantis, Andreas Tsoumanis, Georgia Melagraki, Antreas Afantitis, Angela Serra & Dario Greco
Published in: Scientific data, 8, 2021, Page(s) 49, ISSN 2052-4463
Publisher: Springer Nature Limited
DOI: 10.1038/s41597-021-00808-y

Risk Governance of Emerging Technologies Demonstrated in Terms of its Applicability to Nanomaterials

Author(s): Panagiotis Isigonis, Antreas Afantitis, Dalila Antunes, Alena Bartonova, Ali Beitollahi, Nils Bohmer, Evert Bouman, Qasim Chaudhry, Mihaela Roxana Cimpan, Emil Cimpan, Shareen Doak, Damien Dupin, Doreen Fedrigo, Valérie Fessard, Maciej Gromelski, Arno C. Gutleb, Sabina Halappanavar, Peter Hoet, Nina Jeliazkova, Stéphane Jomini, Sabine Lindner, Igor Linkov, Eleonora Marta Longhin, Iseult Lynch, I
Published in: Small, 16/36, 2020, Page(s) 2003303, ISSN 1613-6810
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.202003303

Nextcast: A software suite to analyse and model toxicogenomics data

Author(s): AngelaSerra, Laura Aliisa Saarimäki, Alisa Pavel, Giusy del Giudice, Michele Fratello, Luca Cattelani, Antonio Federico, Omar Laurino, Veer Singh Marwah, Vittorio Fortino, Giovanni Scala, Pia Anneli Sofia Kinaret, Dario Greco
Published in: Computational and Structural Biotechnology Journal, 20, 2022, Page(s) 1413-1426, ISSN 2001-0370
Publisher: Elsevier
DOI: 10.1016/j.csbj.2022.03.014

ELIXIR and Toxicology: a community in development

Author(s): Marvin Martens; Rob Stierum; Emma L. Schymanski; Chris T. Evelo; Reza Aalizadeh; Hristo Aladjov; Kasia Arturi; Karine Audouze; Pavel Babica; Karel Berka; Jos Bessems; Ludek Blaha; Evan E Bolton; Montserrat Cases; Dimitrios Damalas; Kirtan Dave; Marco Dilger; Thomas Exner; Daan P. Geerke; Roland C. Grafström; Alasdair J. G. Gray; John M. Hancock; Henner Hollert; Nina Jeliazkova; Danyel Jennen; Fab
Published in: F1000 Research, 10, 2021, Page(s) 1129, ISSN 2046-1402
Publisher: F1000 Research Ltd.
DOI: 10.12688/f1000research.74502.1

Ecotoxicological read-across models for predicting acute toxicity of freshly dispersed versus medium-aged NMs to Daphnia magna

Author(s): Dimitra-Danai Varsou; Laura-Jayne A. Ellis; Antreas Afantitis; Georgia Melagraki; Iseult Lynch
Published in: Chemosphere, 285, 2021, Page(s) 131452, ISSN 0045-6535
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.chemosphere.2021.131452

Genotoxicity of Nanomaterials: Advanced In VitroModels and High Throughput Methods for HumanHazard Assessment—A Review

Author(s): Yvonne Kohl, Elise Rundén-Pran, Espen Mariussen, Michelle Hesler, Naouale El Yamani, Eleonora Marta Longhin and Maria Dusinska
Published in: NANOMATERIALS, 2020, ISSN 2079-4991
Publisher: MDPI

Toxicogenomics analysis of dynamic dose-response in macrophages highlights molecular alterations relevant for multi-walled carbon nanotube-induced lung fibrosis

Author(s): Laura A. Saarimäki. Pia A.S. Kinaret, Giovanni Scala, Giusy del Giudice, Antonio Federico, Angela Serra, Dario Greco
Published in: NanoImpact, 20, 2020, Page(s) 100274, ISSN 2452-0748
Publisher: Elsevier
DOI: 10.1016/j.impact.2020.100274

Stress Response and Nutrient Homeostasis in Lettuce (Lactuca sativa) Exposed to Graphene Quantum Dots Are Modulated by Particle Surface Functionalization.

Author(s): Peng Zhang; Xinyue Wu; Zhiling Guo; Xiaonan Yang; Xiangang Hu; Iseult Lynch
Published in: Advanced Biology, 1, 2021, ISSN 2701-0198
Publisher: Wiley-VCH GmbH
DOI: 10.1002/adbi.202000778

Multigenerational Exposure to Nano‐TiO2 Induces Ageing as a Stress Response Mitigated by Environmental Interactions

Author(s): Laura-Jayne A. Ellis; Stephen Kissane; Elijah Hoffman; Eugenia Valsami-Jones; James B. Brown; James B. Brown; John K. Colbourne; Iseult Lynch
Published in: Advanced NanoBiomed Research, Vol 1, Iss 6, Pp n/a-n/a (2021), 1, 2021, ISSN 2699-9307
Publisher: Wiley-VCH GmbH
DOI: 10.1002/anbr.202000083

Mechanistic insights into toxicity pathways induced by nanomaterials in Daphnia magna from analysis of the composition of the acquired protein corona

Author(s): Laura-Jayne A. Ellis; Iseult Lynch
Published in: Environmental Science: Nano, 7, 2020, Page(s) 3343-3359, ISSN 2051-8161
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0en00625d

A Semi-Automated Workflow for FAIR Maturity Indicators in the Life Sciences.

Author(s): Ammar Ammar; Serena Bonaretti; Laurent A. Winckers; Joris T.K. Quik; Martine Bakker; Dieter Maier; Iseult Lynch; Jeaphianne van Rijn; Egon Willighagen
Published in: Nanomaterials, 10, 2020, Page(s) 2068, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano10102068

Current Approaches and Techniques in Physiologically Based Pharmacokinetic (PBPK) Modelling of Nanomaterials

Author(s): Wells Utembe, Harvey Clewell, Natasha Sanabria, Philip Doganis, Mary Gulumian
Published in: Nanomaterials, 10/7, 2020, Page(s) 1267, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano10071267

Using the Isalos platform to develop a (Q)SAR model that predicts metal oxide toxicity utilizing facet-based electronic, image analysis-based, and periodic table derived properties as descriptors

Author(s): M. M. Thwala; A. Afantitis; A. G. Papadiamantis; A. Tsoumanis; G. Melagraki; L. N. Dlamini; C. N. M. Ouma; P. Ramasami; R. Harris; T. Puzyn; N. Sanabria; I. Lynch; M. Gulumian
Published in: Structural Chemistry, 33, 2021, Page(s) 527–538, ISSN 1572-9001
Publisher: Springer
DOI: 10.1007/s11224-021-01869-w

Structure-activity prediction networks (SAPNets): a step beyond Nano-QSAR for effective implementation of the safe-by-design concept.

Author(s): Anna Rybińska-Fryca; Alicja Mikolajczyk; Tomasz Puzyn
Published in: Nanoscale, 1, 2020, ISSN 2040-3372
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0nr05220e

Atomistic Molecular Dynamics Simulations of Lipids Near TiO2 Nanosurfaces

Author(s): Mikhail Ivanov, Alexander P. Lyubartsev
Published in: Journal of Physical Chemistry B, 125-29, 2021, Page(s) 8048–8059, ISSN 1520-5207
Publisher: ACS publications
DOI: 10.1021/acs.jpcb.1c04547

Mass Cytometry and Single‐Cell RNA‐seq Profiling of the Heterogeneity in Human Peripheral Blood Mononuclear Cells Interacting with Silver Nanoparticles

Author(s): My Kieu Ha, Sook Jin Kwon, Jang‐Sik Choi, Nguyen Thanh Nguyen, Jaewoo Song, Yangsoon Lee, Young‐Eun Kim, Incheol Shin, Jin‐Wu Nam, Tae Hyun Yoon
Published in: Small, 16/21, 2020, Page(s) 1907674, ISSN 1613-6810
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.201907674

Advances in De Novo Drug Design: From Conventional to Machine Learning Methods

Author(s): Mouchlis, V.D.; Afantitis, A.; Serra, A.; Fratello, M.; Papadiamantis, A.G.; Aidinis, V.; Lynch, I.; Greco, D.; Melagraki, G.
Published in: International Journal of Molecular Sciences, 22, 2021, Page(s) 1676, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22041676

Computationally prioritized drugs inhibit SARS-CoV-2 infection and syncytia formation

Author(s): Angela Serra, Michele Fratello, Antonio Federico, Ravi Ojha, Riccardo Provenzani, Ervin Tasnadi, Luca Cattelani, Giusy del Giudice, Pia A S Kinaret, Laura A Saarimäki, Alisa Pavel, Suvi Kuivanen, Vincenzo Cerullo, Olli Vapalahti, Peter Horvath, Antonio Di Lieto, Jari Yli-Kauhaluoma, Giuseppe Balistreri, Dario Greco
Published in: Briefings in Bioinformatics, 23, 2021, Page(s) bbab507, ISSN 1477-4054
Publisher: Oxford University Press
DOI: 10.1093/bib/bbab507

Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies

Author(s): Iseult Lynch; Antreas Afantitis; Thomas Exner; Martin Himly; Vladimir Lobaskin; Philip Doganis; Dieter Maier; Natasha Sanabria; Anastasios G. Papadiamantis; Anna Rybińska-Fryca; Maciej Gromelski; Tomasz Puzyn; Egon Willighagen; Blair Johnston; Mary Gulumian; Marianne Matzke; Amaia Green Etxabe; Nathan Bossa; Angela Serra; Irene Liampa; Stacey L. Harper; Kaido Tämm; Alexander Cø Jensen; Pekka Ko
Published in: Nanomaterials, 12, 2020, Page(s) 2493, ISSN 2079-4991
Publisher: MDPI
DOI: 10.26181/5fd82a0837ea2

Transcriptomics in Toxicogenomics, Part II: Preprocessing and Differential Expression Analysis for High Quality Data

Author(s): Federico, A.; Serra, A.; Ha, M.K.; Kohonen, P.; Choi, J.-S.; Liampa, I.; Nymark, P.; Sanabria, N.; Cattelani, L.; Fratello, M.; Kinaret, P.A.S.; Jagiello, K.; Puzyn, T.; Melagraki, G.; Gulumian, M.; Afantitis, A.; Sarimveis, H.; Yoon, T.-H.; Grafström, R.; Greco, D.
Published in: Nanomaterials, 10, 2020, Page(s) 903, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano10050903

Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform

Author(s): Papadiamantis, A.G.; Jänes, J.; Voyiatzis, E.; Sikk, L.; Burk, J.; Burk, P.; Tsoumanis, A.; Ha, M.K.; Yoon, T.H.; Valsami-Jones, E.; Lynch, I.; Melagraki, G.; Tämm, K.; Afantitis, A.
Published in: Nanomaterials, 2020, 2020, Page(s) 2017, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano10102017

Development of Deep Learning Models for Predicting the Effects of Exposure to Engineered Nanomaterials on Daphnia magna

Author(s): Pantelis Karatzas, Georgia Melagraki, Laura‐Jayne A. Ellis, Iseult Lynch, Dimitra‐Danai Varsou, Antreas Afantitis, Andreas Tsoumanis, Philip Doganis, Haralambos Sarimveis
Published in: Small, 16/36, 2020, Page(s) 2001080, ISSN 1613-6810
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.202001080

First principles characterisation of bio–nano interface

Author(s): Ian Rouse, David Power, Erik G. Brandt, Matthew Schneemilch, Konstantinos Kotsis, Nick Quirke, Alexander P. Lyubartsev, Vladimir Lobaskin
Published in: Physical Chemistry Chemical Physics, 23, 2021, Page(s) 13473-13482, ISSN 1463-9084
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cp01116b

Editorial for the Special Issue From Nanoinformatics to Nanomaterials Risk Assessment and Governance

Author(s): Iseult Lynch, Antreas Afantitis, Dario Greco, Maria Dusinska, Miguel A. Banares, Georgia Melagraki
Published in: Nanomaterials, 11/1, 2021, Page(s) 121, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano11010121

In Silico Prediction of Protein Adsorption Energy on Titanium Dioxide and Gold Nanoparticles

Author(s): Shada Ali Alsharif; David A. Power; Ian Rouse; Vladimir Lobaskin
Published in: Nanomaterials, 10, 2020, Page(s) 1967, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano10101967

TinderMIX: Time-dose integrated modelling of toxicogenomics data

Author(s): Angela Serra, Michele Fratello, Giusy del Giudice, Laura Aliisa Saarimäki, Michelangelo Paci, Antonio Federico, Dario Greco
Published in: GigaScience, 9/5, 2020, ISSN 2047-217X
Publisher: Oxford Academic
DOI: 10.1093/gigascience/giaa055

NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment

Author(s): Antreas Afantitis, Georgia Melagraki, Panagiotis Isigonis, Andreas Tsoumanis, Dimitra Danai Varsou, Eugenia Valsami-Jones, Anastasios Papadiamantis, Laura-Jayne A. Ellis, Haralambos Sarimveis, Philip Doganis, Pantelis Karatzas, Periklis Tsiros, Irene Liampa, Vladimir Lobaskin, Dario Greco, Angela Serra, Pia Anneli Sofia Kinaret, Laura Aliisa Saarimäki, Roland Grafström, Pekka Kohonen, Penny Nyma
Published in: Computational and Structural Biotechnology Journal, 18, 2020, Page(s) 583-602, ISSN 2001-0370
Publisher: Elsevier
DOI: 10.1016/j.csbj.2020.02.023

Prospects and challenges for FAIR toxicogenomics data

Author(s): Laura A. Saarimäki, Georgia Melagraki, Antreas Afantitis, Iseult Lynch & Dario Greco
Published in: Nature nanotechnology, 17, 2022, Page(s) 17-18, ISSN 1748-3395
Publisher: Springer Nature Limited
DOI: 10.1038/s41565-021-01049-1

Transcriptomics in Toxicogenomics, Part III: Data Modelling for Risk Assessment

Author(s): Angela Serra, Michele Fratello, Luca Cattelani, Irene Liampa, Georgia Melagraki, Pekka Kohonen, Penny Nymark, Antonio Federico, Pia Anneli Sofia Kinaret, Karolina Jagiello, My Kieu Ha, Jang-Sik Choi, Natasha Sanabria, Mary Gulumian, Tomasz Puzyn, Tae-Hyun Yoon, Haralambos Sarimveis, Roland Grafström, Antreas Afantitis, Dario Greco
Published in: Nanomaterials, 10/4, 2020, Page(s) 708, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano10040708

Zeta‐Potential Read‐Across Model Utilizing Nanodescriptors Extracted via the NanoXtract Image Analysis Tool Available on the Enalos Nanoinformatics Cloud Platform

Author(s): Dimitra‐Danai Varsou, Antreas Afantitis, Andreas Tsoumanis, Anastasios Papadiamantis, Eugenia Valsami‐Jones, Iseult Lynch, Georgia Melagraki
Published in: Small, 16/21, 2020, Page(s) 1906588, ISSN 1613-6810
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.201906588

A hard-sphere model of protein corona formation on spherical and cylindrical nanoparticles

Author(s): Ian Rouse, Vladimir Lobaskin
Published in: Biophysical journal, 20, 2021, Page(s) 4457-4471, ISSN 1542-0086
Publisher: CellPress
DOI: 10.1016/j.bpj.2021.09.002

Transcriptomics in Toxicogenomics, Part I: Experimental Design, Technologies, Publicly Available Data, and Regulatory Aspects

Author(s): Pia Anneli Sofia Kinaret, Angela Serra, Antonio Federico, Pekka Kohonen, Penny Nymark, Irene Liampa, My Kieu Ha, Jang-Sik Choi, Karolina Jagiello, Natasha Sanabria, Georgia Melagraki, Luca Cattelani, Michele Fratello, Haralambos Sarimveis, Antreas Afantitis, Tae-Hyun Yoon, Mary Gulumian, Roland Grafström, Tomasz Puzyn, Dario Greco
Published in: Nanomaterials, 10/4, 2020, Page(s) 750, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano10040750

WikiPathways: connecting communities.

Author(s): Martens, Marvin; Ammar, Ammar; Riutta, Anders; Waagmeester, Andra; Slenter, Denise N; Hanspers, Kristina; A. Miller, Ryan; Digles, Daniela; Lopes, Elisson N; Ehrhart, Friederike; Dupuis, Lauren J; Winckers, Laurent A; Coort, Susan L; Willighagen, Egon L; Evelo, Chris T; Pico, Alexander R; Kutmon, Martina
Published in: Nucleic Acids Research, 49, 2020, Page(s) D613–D621, ISSN 1362-4962
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaa1024

Nanotechnology and artificial intelligence to enable sustainable and precision agriculture

Author(s): Peng Zhang, Zhiling Guo, Sami Ullah, Georgia Melagraki, Antreas Afantitis & Iseult Lynch
Published in: Nature plants, 7, 2021, Page(s) 864–876, ISSN 2055-0278
Publisher: Springer Nature Limited
DOI: 10.1038/s41477-021-00946-6

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: Nano Today, 43, 2022, Page(s) 101430, ISSN 1748-0132
Publisher: Elsevier BV
DOI: 10.1016/j.nantod.2022.101430

Importance of Surface Topography in Both Biological Activity and Catalysis of Nanomaterials: Can Catalysis by Design Guide Safe by Design?

Author(s): Gulumian, M.; Andraos, C.; Afantitis, A.; Puzyn, T.; Coville, N.J.
Published in: International Journal of Molecular Sciences, 22, 2021, Page(s) 8347, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22158347

Reliable Surface Analysis Data of Nanomaterials in Support of Risk Assessment Based on Minimum Information Requirements.

Author(s): Jörg Radnik; Reinhard Kersting; Birgit Hagenhoff; Francesca Bennet; Dmitri Ciornii; Penny Nymark; Roland C. Grafström; Vasile-Dan Hodoroaba
Published in: Nanomaterials, 11, 2021, Page(s) 639, ISSN 2079-4991
Publisher: MDPI
DOI: 10.3390/nano11030639

Toward Rigorous Materials Production: New Approach Methodologies Have Extensive Potential to Improve Current Safety Assessment Practices

Author(s): Penny Nymark, Martine Bakker, Susan Dekkers, Remy Franken, Wouter Fransman, Amaia García‐Bilbao, Dario Greco, Mary Gulumian, Niels Hadrup, Sabina Halappanavar, Vesa Hongisto, Karin Sørig Hougaard, Keld Alstrup Jensen, Pekka Kohonen, Antti Joonas Koivisto, Miikka Dal Maso, Thies Oosterwijk, Mikko Poikkimäki, Isabel Rodriguez‐Llopis, Rob Stierum, Jorid Birkelund Sørli, Roland Grafström
Published in: Small, 16/6, 2020, Page(s) 1904749, ISSN 1613-6810
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.201904749

Towards an in silico integrated approach for testing and assessment of nanomaterials: from predicted indoor air concentrations to lung dose and biodistribution

Author(s): P. Tsiros, N. Cheimarios, A. Tsoumanis, A. C. Ø. Jensen, G. Melagraki, I. Lynch, H. Sarimveis and A. Afantitis
Published in: Environmental Science: Nano, 9, 2019, Page(s) 13757-13764, ISSN 2051-8161
Publisher: RSC publishing
DOI: 10.1039/d1en00956g

Computational enrichment of physicochemical data for the development of a ζ-potential read-across predictive model with Isalos Analytics Platform

Author(s): Anastasios G. Papadiamantis, Antreas Afantitis, Andreas Tsoumanis, Eugenia Valsami-Jones, Iseult Lynch, Georgia Melagraki
Published in: NanoImpact, 22, 2021, Page(s) 100308, ISSN 2452-0748
Publisher: Elsevier
DOI: 10.1016/j.impact.2021.100308

Surface Functionalization of Graphene-Based Materials: Biological Behavior, Toxicology, and Safe-By-Design Aspects

Author(s): Zhiling Guo, Swaroop Chakraborty, Fazel Abdolahpur Monikh, Dimitra-Danai Varsou, Andrew J Chetwynd, Antreas Afantitis, Iseult Lynch, Peng Zhang
Published in: Advanced biology, 2021, Page(s) 202100637, ISSN 2701-0198
Publisher: Wiley-VCH GmbH
DOI: 10.1002/adbi.202100637

MaNGA: a novel multi-niche multi-objective genetic algorithm for QSAR modelling

Author(s): Angela Serra, Serli Önlü, Paola Festa, Vittorio Fortino, Dario Greco
Published in: Bioinformatics, 36, 2020, Page(s) 145–153, ISSN 1460-2059
Publisher: Oxford University Press
DOI: 10.1093/bioinformatics/btz521

Exposure medium and particle ageing moderate the toxicological effects of nanomaterials to Daphnia magna over multiple generations: a case for standard test review?

Author(s): Laura-Jayne A. Ellis, Eugenia Valsami-Jones, Iseult Lynch
Published in: Environmental Science: Nano, 7/4, 2020, Page(s) 1136-1149, ISSN 2051-8153
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0en00049c

Covid-19 acute responses and possible long term consequences: What nanotoxicology can teach us

Author(s): Pia A.S.Kinaret, Giusy del Giudice, Dario Greco
Published in: Nanotoday, 35, 2020, Page(s) 100945, ISSN 1748-0132
Publisher: Elsevier BV
DOI: 10.1016/j.nantod.2020.100945

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Author(s): Nikolaos Cheimarios, Sam Harrison, Alexander C.Ø Jensen, Pantelis Karatzas, Andreas Tsoumanis, Philip Doganis, Periklis Tsiros, David A. Winkler, Stephen Lofts, Keld A. Jensen, Haralambos Sarimveis, Antreas Afantitis, Iseult Lynch, Georgia Melagraki
Published in: Handbook of Functionalized Nanomaterials, 2021, Page(s) 81-120, ISBN 978-0-12-822415-1
Publisher: Elsevier
DOI: 10.1016/b978-0-12-822415-1.00001-9

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Author(s): Iseult Lynch; Thomas Exner; Claus Svendsen; Irini Furxhi; Dieter Maier; Felice Simeone; Haralambos Sarimveis; Philip Doganis; Antreas Afantitis; Martin Himly
Published in: NanoCommons Nanoinformatics data services & tools, 1, 2021
Publisher: NanoCommons
DOI: 10.5281/zenodo.5752072

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Author(s): Jeliazkova, Nina; Exner, Thomas; Willighagen, Egon
Published in: Joint workshop RiskGONE, NanoCommons, NanoSolveIT, 2020
Publisher: NanoSolveIT
DOI: 10.5281/zenodo.3648169

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Author(s): Ammar Ammar
Published in: DANS Data Trail Workshop, 1, 2021
Publisher: UM
DOI: 10.5281/zenodo.5721388

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