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

Rezultaty

Collection of system requirements and specifications
AOP-level grouping, AOP fingerprints, minimal feature sets and inputs into IATAs
Report on developed dissemination activities
Final version of IATA with full documentation & training modules
Report detailing descriptors for NMs that are based on electronic images
Definition of omics-derived predictive models and biomarkers

Definition of omicsderived predictive models and biomarkers

Report summarizing the integrated modelling strategy: connecting materials modelling, chemoinformatics & bioinformatics.
Report detailing meta-models development and outputs from the intrinsic and extrinsic properties modelling
Full business development plan for NanoSolveIT tools and IATA
Set of intrinsic descriptors of selected NM
Documentation and training material for the NanoSolveIT e-platform
Datasets from bespoke NMs synthesis and characterization studies in appropriate formats for the models in WPs 3-5 and the IATA (WP6)
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
Maintenance and Evaluation Report
Two case studies submitted to OECD for consideration as OECD IATA Case study projects
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
Report on developed dissemination activities (update)
Report on the final ontology releases and guidance
Initial report on automated data completeness testing and delivered data sets
Datasets from bespoke ecotoxicity studies in appropriate formats for the models in WPs 3-5 and the IATA (WP6)
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
Report on outcome of international RR for model benchmarking
Atomistic force fields for selected NMs
Datasets from bespoke toxicity studies in appropriate formats for the models in WPs 3-5 and the IATA (WP6)
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
Report on exploitation activities
Final report on delivered data sets
Architecture of NanoSolveIT e-platform and API specifications
Initial inventory of MoAs, MIEs and predictive NMs descriptors
Materials models coupling for calculation of advanced descriptors from 1st principles
Documentation on use of Design of Experiments for end-users of the IATA to support optimized generation of input data for the IATA

Final Data Management Plan
Initial data management plan (DMP) as part of the open data pilot

Final version of NanoSolveIT cloud platform
NanoSolveIT Knowledge infrastructure API
Project web site
NanoSolveIT standalone software application

Publikacje

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

Autorzy: 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
Opublikowane w: Nanoscience, 2021
Wydawca: ChemRxiv
DOI: 10.33774/chemrxiv-2021-65894

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

Autorzy: Andreas Falk
Opublikowane w: INISS-nano, Numer 1, 2021
Wydawca: INISS-nano
DOI: 10.5281/zenodo.5004928

Driving the nanoinformatics wave

Autorzy: Afantitis, Antreas; Lynch, Iseult
Opublikowane w: SciTech Europa Quarterly, Numer 10, 2019
Wydawca: 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)

Autorzy: Ammar Ammar
Opublikowane w: 2021
Wydawca: 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)

Autorzy: Ammar Ammar
Opublikowane w: 2021
Wydawca: 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)

Autorzy: Ammar Ammar
Opublikowane w: 2021
Wydawca: Zenodo
DOI: 10.5281/zenodo.5743204

"Data & code repository for the article ""An ancestral molecular response to nanomaterial particulates"""

Autorzy: Giusy del Giudice; Dario Greco
Opublikowane w: 2023
Wydawca: Zenodo
DOI: 10.5281/zenodo.7674573

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

Autorzy: Ammar Ammar
Opublikowane w: 2021
Wydawca: Zenodo
DOI: 10.5281/zenodo.5743788

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

Autorzy: Bonaretti, Serena; Willighagen, Egon
Opublikowane w: bioRxiv, Numer 1, 2019
Wydawca: 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)

Autorzy: Ammar Ammar
Opublikowane w: 2021
Wydawca: Zenodo
DOI: 10.5281/zenodo.5744302

Nanoinformatics: Artificial intelligence and nanotechnology in the new decade

Autorzy: Afantitis A.
Opublikowane w: Combinatorial Chemistry and High Throughput Screening, Numer 23, 1, 2020, Strona(/y) 4-5, ISSN 1386-2073
Wydawca: Bentham Science
DOI: 10.2174/138620732301200316112000

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

Autorzy: 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
Opublikowane w: Research Square, 2022, ISSN 2693-5015
Wydawca: Research Square
DOI: 10.21203/rs.3.rs-1547187/v1

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

Autorzy: Rouse, Ian; Lobaskin, Vladimir
Opublikowane w: Arxiv, Numer 4, 2022
Wydawca: Arxiv
DOI: 10.48550/arxiv.2211.07999

Advanced in silico characterization of nanomaterials for nanoparticle toxicology

Autorzy: Rouse, Ian; Power, David; Brandt, Erik G.; Schneemilch, Matthew; Kotsis, Konstantinos; Quirke, Nick; Lyubartsev, Alexander P.; Lobaskin, Vladimir
Opublikowane w: arXiv, Numer 2, 2020
Wydawca: arXiv

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

Autorzy: 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.
Opublikowane w: Nanomaterials, Numer 10, 2020, Strona(/y) 2033, ISSN 2079-4991
Wydawca: MDPI
DOI: 10.3390/nano10102033

Quantitative Estimation of Cell-Associated Silver Nanoparticles using the Normalized Side Scattering Intensities of Flow Cytometry.

Autorzy: Yoo Jin Shim; My Kieu Ha; Tae Hyun Yoon
Opublikowane w: 2079-4991, Numer 11, 2021, ISSN 2079-4991
Wydawca: MDPI
DOI: 10.3390/nano11113079

A data reusability assessment in the nanosafety domain based on the NSDRA framework followed by an exploratory quantitative structure activity relationships (QSAR) modeling targeting cellular viability

Autorzy: Furxhi I.; Willighagen E.; Evelo C.; Costa A.; Gardini D.; Ammar A.
Opublikowane w: NanoImpact, Numer 31, 2023, Strona(/y) 100475, ISSN 2452-0748
Wydawca: Elsevier
DOI: 10.1016/j.impact.2023.100475

Hazard identification of nanomaterials: In silico unraveling of descriptors for cytotoxicity and genotoxicity

Autorzy: El Yamani N.; Mariussen E.; Gromelski M.; Wyrzykowska E.; Grabarek D.; Puzyn T.; Tanasescu S.; Dusinska M.; Rundén-Pran E.
Opublikowane w: Nano Today, Numer 46, 2022, Strona(/y) 101581, ISSN 1748-0132
Wydawca: Elsevier BV
DOI: 10.1016/j.nantod.2022.101581

The miniaturized enzyme-modified comet assay for genotoxicity testing of nanomaterials

Autorzy: El Yamani N.; Rundén-Pran E.; Collins A.R.; Longhin E.M.; Elje E.; Hoet P.; Vinković Vrček I.; Doak S.H.; Fessard V.; Dusinska M.
Opublikowane w: Frontiers in Toxicology, Numer 4, 2022, Strona(/y) 986318, ISSN 2673-3080
Wydawca: Frontiers
DOI: 10.3389/ftox.2022.986318

Milk Protein Adsorption on Metallic Iron Surfaces

Autorzy: Mosaddeghi Amini P.; Subbotina J.; Lobaskin V.
Opublikowane w: Nanomaterials, Numer 13, 12, 2023, Strona(/y) 1857, ISSN 2079-4991
Wydawca: MDPI
DOI: 10.3390/nano13121857

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

Autorzy: Laura-Jayne. A. Ellis, Stephen Kissane, Iseult Lynch
Opublikowane w: International Journal of Molecular Sciences, Numer 22/1, 2021, Strona(/y) 15, ISSN 1422-0067
Wydawca: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22010015

Core, Coating, or Corona? The Importance of Considering Protein Coronas in nano-QSPR Modeling of Zeta Potential

Autorzy: Sengottiyan S.; Mikolajczyk A.; Jagiełło K.; Swirog M.; Puzyn T.
Opublikowane w: ACS Nano, Numer 17, 3, 2023, Strona(/y) 1989–1997, ISSN 1936-0851
Wydawca: American Chemical Society
DOI: 10.1021/acsnano.2c06977

Engineered Zn-based nano-pesticides as an opportunity for treatment of phytopathogens in agriculture

Autorzy: Zhao W.; Liu Y.; Zhang P.; Zhou P.; Wu Z.; Lou B.; Jiang Y.; Shakoor N.; Li M.; Li Y.; Lynch I.; Rui Y.; Tan Z.
Opublikowane w: NanoImpact, Numer 28, 2022, Strona(/y) 100420, ISSN 2452-0748
Wydawca: Elsevier
DOI: 10.1016/j.impact.2022.100420

Rapid identification of in vitro cell toxicity using an electrochemical membrane screening platform

Autorzy: Kohl Y.; William N.; Elje E.; Backes N.; Rothbauer M.; Srancikova A.; Rundén-Pran E.; El Yamani N.; Korenstein R.; Madi L.; Barbul A.; Kozics K.; Sramkova M.; Steenson K.; Gabelova A.; Ertl P.; Dusinska M.; Nelson A.
Opublikowane w: Bioelectrochemistry, Numer 153, 2023, Strona(/y) 108467, ISSN 1567-5394
Wydawca: Elsevier BV
DOI: 10.1016/j.bioelechem.2023.108467

Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials

Autorzy: Laura Aliisa Saarimäki, Antonio Federico, Iseult Lynch, Anastasios G. Papadiamantis, Andreas Tsoumanis, Georgia Melagraki, Antreas Afantitis, Angela Serra & Dario Greco
Opublikowane w: Scientific data, Numer 8, 2021, Strona(/y) 49, ISSN 2052-4463
Wydawca: Springer Nature Limited
DOI: 10.1038/s41597-021-00808-y

Remediation of Water Using a Nanofabricated Cellulose Membrane Embedded with Silver Nanoparticles

Autorzy: Shad S.; Lynch I.; Shah S.W.H.; Bashir N.
Opublikowane w: Membranes, Numer 12, 11, 2022, Strona(/y) 1035, ISSN 2077-0375
Wydawca: Molecular Diversity Preservation International
DOI: 10.3390/membranes12111035

Design of cryogel based CNTs-anchored polyacrylonitrile honeycomb film with ultra-high S-NZVI incorporation for enhanced synergistic reduction of Cr(VI)

Autorzy: Yang K.; Wang X.; Lynch I.; Guo Z.; Zhang P.; Wu L.; Ma J.
Opublikowane w: Journal of Hazardous Materials, Numer 442, 2023, Strona(/y) 129923, ISSN 0304-3894
Wydawca: Elsevier BV
DOI: 10.1016/j.jhazmat.2022.129923

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

Autorzy: 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
Opublikowane w: Small, Numer 16/36, 2020, Strona(/y) 2003303, ISSN 1613-6810
Wydawca: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.202003303

Nextcast: A software suite to analyse and model toxicogenomics data

Autorzy: 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
Opublikowane w: Computational and Structural Biotechnology Journal, Numer 20, 2022, Strona(/y) 1413-1426, ISSN 2001-0370
Wydawca: Elsevier
DOI: 10.1016/j.csbj.2022.03.014

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

Autorzy: Wang X.; Jiang M.; Lynch I.; Guo Z.; Zhang P.; Wu L.; Ma J.
Opublikowane w: Environmental Pollution, Numer 336, 2023, Strona(/y) 122280, ISSN 0269-7491
Wydawca: Pergamon Press Ltd.
DOI: 10.1016/j.envpol.2023.122280

ELIXIR and Toxicology: a community in development

Autorzy: 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
Opublikowane w: F1000 Research, Numer 10, 2021, Strona(/y) 1129, ISSN 2046-1402
Wydawca: 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

Autorzy: Dimitra-Danai Varsou; Laura-Jayne A. Ellis; Antreas Afantitis; Georgia Melagraki; Iseult Lynch
Opublikowane w: Chemosphere, Numer 285, 2021, Strona(/y) 131452, ISSN 0045-6535
Wydawca: Pergamon Press Ltd.
DOI: 10.1016/j.chemosphere.2021.131452

Representing and describing nanomaterials in predictive nanoinformatics

Autorzy: Wyrzykowska E.; Mikolajczyk A.; Lynch I.; Jeliazkova N.; Kochev N.; Sarimveis H.; Doganis P.; Karatzas P.; Afantitis A.; Melagraki G.; Serra A.; Greco D.; Subbotina J.; Lobaskin V.; Bañares M.A.; Valsami-Jones E.; Jagiello K.; Puzyn T.
Opublikowane w: Nature Nanotechnology, Numer 17, 9, 2022, Strona(/y) 924-932, ISSN 1748-3387
Wydawca: Nature Publishing Group
DOI: 10.1038/s41565-022-01173-6

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

Autorzy: Yvonne Kohl, Elise Rundén-Pran, Espen Mariussen, Michelle Hesler, Naouale El Yamani, Eleonora Marta Longhin and Maria Dusinska
Opublikowane w: NANOMATERIALS, 2020, ISSN 2079-4991
Wydawca: MDPI

NanoMixHamster: a web-based tool for predicting cytotoxicity of TiO2-based multicomponent nanomaterials toward Chinese hamster ovary (CHO-K1) cells

Autorzy: Stoliński F.; Rybińska-Fryca A.; Gromelski M.; Mikolajczyk A.; Puzyn T.
Opublikowane w: Nanotoxicology, Numer 16, 3, 2022, Strona(/y) 276 289, ISSN 1743-5390
Wydawca: Informa Healthcare
DOI: 10.1080/17435390.2022.2080609

Apellis: An online tool for read-across model development

Autorzy: Dimitra-Danai Varsou, Haralambos Sarimveis
Opublikowane w: Computational Toxicology, Numer 17, 2020, Strona(/y) 100146, ISSN 2468-1113
Wydawca: Elsevier
DOI: 10.1016/j.comtox.2020.100146

An ancestral molecular response to nanomaterial particulates

Autorzy: G. del Giudice, A. Serra, L. A. Saarimäki, K. Kotsis, I. Rouse, S. A. Colibaba, K. Jagiello, A. Mikolajczyk, M. Fratello, A. G. Papadiamantis, N. Sanabria, M. E. Annala, J. Morikka, P. A. S. Kinaret, E. Voyiatzis, G. Melagraki, A. Afantitis, K. Tämm, T. Puzyn, M. Gulumian, V. Lobaskin, I. Lynch, A. Federico & D. Greco
Opublikowane w: Nature Nanotechnology, Numer 18, 2023, Strona(/y) 957-966, ISSN 1748-3387
Wydawca: Nature Publishing Group
DOI: 10.1038/s41565-023-01393-4

1,3-Dimethyl-imidazolium dimethyl phosphate ([MMIM]+[DMP]−) analyzed by XPS and HAXPES

Autorzy: Xenia Knigge; Jörg Radnik
Opublikowane w: Crossref, Numer 37, 2023, ISSN 1055-5269
Wydawca: AVS Science and Technology Society
DOI: 10.1116/6.0002297

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

Autorzy: Laura A. Saarimäki. Pia A.S. Kinaret, Giovanni Scala, Giusy del Giudice, Antonio Federico, Angela Serra, Dario Greco
Opublikowane w: NanoImpact, Numer 20, 2020, Strona(/y) 100274, ISSN 2452-0748
Wydawca: 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.

Autorzy: Peng Zhang; Xinyue Wu; Zhiling Guo; Xiaonan Yang; Xiangang Hu; Iseult Lynch
Opublikowane w: Advanced Biology, Numer 1, 2021, ISSN 2701-0198
Wydawca: Wiley-VCH GmbH
DOI: 10.1002/adbi.202000778

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

Autorzy: Laura-Jayne A. Ellis; Stephen Kissane; Elijah Hoffman; Eugenia Valsami-Jones; James B. Brown; James B. Brown; John K. Colbourne; Iseult Lynch
Opublikowane w: Advanced NanoBiomed Research, Vol 1, Iss 6, Pp n/a-n/a (2021), Numer 1, 2021, ISSN 2699-9307
Wydawca: 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

Autorzy: Laura-Jayne A. Ellis; Iseult Lynch
Opublikowane w: Environmental Science: Nano, Numer 7, 2020, Strona(/y) 3343-3359, ISSN 2051-8161
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d0en00625d

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

Autorzy: Ammar Ammar; Serena Bonaretti; Laurent A. Winckers; Joris T.K. Quik; Martine Bakker; Dieter Maier; Iseult Lynch; Jeaphianne van Rijn; Egon Willighagen
Opublikowane w: Nanomaterials, Numer 10, 2020, Strona(/y) 2068, ISSN 2079-4991
Wydawca: MDPI
DOI: 10.3390/nano10102068

Computational prediction and experimental analysis of the nanoparticle-protein corona: Showcasing an in vitro-in silico workflow providing FAIR data

Autorzy: Hasenkopf I.; Mills-Goodlet R.; Johnson L.; Rouse I.; Geppert M.; Duschl A.; Maier D.; Lobaskin V.; Lynch I.; Himly M.
Opublikowane w: Nanotoday, Numer 46, 2022, Strona(/y) 101561, ISSN 1748-0132
Wydawca: Elsevier BV
DOI: 10.1016/j.nantod.2022.101561

The alamar blue assay in the context of safety testing of nanomaterials

Autorzy: Longhin E.M.; El Yamani N.; Rundén-Pran E.; Dusinska M.
Opublikowane w: Frontiers in Toxicology, Numer 4, 2022, Strona(/y) 981701, ISSN 2673-3080
Wydawca: Frontiers
DOI: 10.3389/ftox.2022.981701

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

Autorzy: Wells Utembe, Harvey Clewell, Natasha Sanabria, Philip Doganis, Mary Gulumian
Opublikowane w: Nanomaterials, Numer 10/7, 2020, Strona(/y) 1267, ISSN 2079-4991
Wydawca: 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

Autorzy: 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
Opublikowane w: Structural Chemistry, Numer 33, 2021, Strona(/y) 527–538, ISSN 1572-9001
Wydawca: Springer
DOI: 10.1007/s11224-021-01869-w

Automated Grouping of Nanomaterials and Read-Across Prediction of Their Adverse Effects Based on Mathematical Optimization

Autorzy: Dimitra-Danai Varsou, Nikoletta-Maria Koutroumpa, and Haralambos Sarimveis
Opublikowane w: Journal of Chemical Information and Modeling, 2021, ISSN 1549-9596
Wydawca: American Chemical Society
DOI: 10.1021/acs.jcim.1c00199

The potential of a data centred approach & knowledge graph data representation in chemical safety and drug design

Autorzy: Pavel A.; Saarimäki L.A.; Möbus L.; Federico A.; Serra A.; Greco D.
Opublikowane w: Computational and Structural Biotechnology Journal, Numer 20, 2022, Strona(/y) 4837 4849, ISSN 2001-0370
Wydawca: Elsevier
DOI: 10.1016/j.csbj.2022.08.061

Uncertainties in the antibacterial mechanisms of graphene family materials

Autorzy: Zhang P.; Guo Z.; Chen C.; Lynch I.
Opublikowane w: Nano Today, Numer 43, 2022, Strona(/y) 101436, ISSN 1748-0132
Wydawca: Elsevier BV
DOI: 10.1016/j.nantod.2022.101436

Green synthesis of metal-based nanoparticles for sustainable agriculture

Autorzy: Jiang Y.; Zhou P.; Zhang P.; Adeel M.; Shakoor N.; Li Y.; Li M.; Guo M.; Zhao W.; Lou B.; Wang L.; Lynch I.; Rui Y.
Opublikowane w: Environmental Pollution, Numer 309, 2022, Strona(/y) 119755, ISSN 0269-7491
Wydawca: Pergamon Press Ltd.
DOI: 10.1016/j.envpol.2022.119755

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

Autorzy: Anna Rybińska-Fryca; Alicja Mikolajczyk; Tomasz Puzyn
Opublikowane w: Nanoscale, Numer 1, 2020, ISSN 2040-3372
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d0nr05220e

Atomistic Molecular Dynamics Simulations of Lipids Near TiO2 Nanosurfaces

Autorzy: Mikhail Ivanov, Alexander P. Lyubartsev
Opublikowane w: Journal of Physical Chemistry B, Numer 125-29, 2021, Strona(/y) 8048–8059, ISSN 1520-5207
Wydawca: ACS publications
DOI: 10.1021/acs.jpcb.1c04547

Passage of exogeneous fine particles from the lung into the brain in humans and animals

Autorzy: Qi Y.; Wei S.; Xin T.; Huang C.; Pu Y.; Ma J.; Zhang C.; Liu Y.; Lynch I.; Liu S.
Opublikowane w: Proceedings of the National Academy of Sciences of the United States of America, Numer 119, 2022, Strona(/y) 26 e2117083119, ISSN 1091-6490
Wydawca: PNAS
DOI: 10.1073/pnas.2117083119

Recent trends in carbon nanotube (CNT)-based biosensors for the fast and sensitive detection of human viruses: a critical review

Autorzy: Hicham Meskher; Hussain Chaudhery Mustansar; Amrit Kumar Thakur; Ravishankar Sathyamurthy; Iseult Lynch; Punit Singh; Tan Kim Han; Rahman Saidur
Opublikowane w: Crossref, Numer 16, 2022, ISSN 2516-0230
Wydawca: RSC
DOI: 10.1039/d2na00236a

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

Autorzy: 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
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DOI: 10.1039/d0en00049c

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Wydawca: Elsevier BV
DOI: 10.1016/j.nantod.2020.100945

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DOI: 10.26434/chemrxiv-2022-l8vk8

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DOI: 10.11159/icnnfc22.170

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Wydawca: NanoCommons
DOI: 10.5281/zenodo.5752072

Multi-Scale Modelling Of the Formation of the Nanoparticle-Protein Corona

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Wydawca: ICNNFC
DOI: 10.11159/icnnfc22.172

Hamaker Constants for Bionano Interactions in Water

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DOI: 10.11159/icnnfc22.171

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Opublikowane w: Proceedings of the 8th World Congress on Recent Advances in Nanotechnology (RAN'23), 2023
Wydawca: ICNNFC
DOI: 10.11159/icnnfc23.164

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DOI: 10.5281/zenodo.3648169

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DOI: 10.5281/zenodo.5721388

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Opublikowane w: Numer 61, 2023
Wydawca: Maastricht University
DOI: 10.5281/zenodo.8032202

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Autorzy: 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
Opublikowane w: Handbook of Functionalized Nanomaterials, 2021, Strona(/y) 81-120, ISBN 978-0-12-822415-1
Wydawca: Elsevier
DOI: 10.1016/b978-0-12-822415-1.00001-9

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