Smart Tools for Gauging Nano Hazards

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

iQSARs for KE for common respiratory toxicity pathways

iQSARs for KE for common respiratory toxicity pathways: a mathematical model to relate the calculated NM descriptors and the probability of the identified MIE/KE for specific respiratory TP/AOP.

Prediction of content of NP-BM corona in lung fluids

Prediction of content of NP-BM corona in lung fluids: calculation of binding affinities for lung surfactandt proteins and lipids, affinity ranking, and prediction of concentration of seleceted molecules in the NP corona for selected nanomaterials (up to 60).

Identification of potential AOPs for pulmonary exposure to NMs

Resutls of data mining in GEO database and other AOP resources for known NP-related adverse outcomes.

PMFs and binding free energies for interaction of NM with building blocks of biomolecules

Results of atomistic simulations: potnetials of mean force and binding free energies for interaction of selected NMs (up to 60) with building blocks of biomolecules - lipid fragments, headgroups, aminoacids.

List of NMs

List of NM to be used within the project and characterization will be compiled based on assessment of the available and most suitable materials. NM Materials (the NM series) deposited in the EC, Joint Research Centre (selected by the OECD Nanomaterials Working Party) and a series of 64 materials (the NRCWE series) available at the NRCWE (Partner 4) will be assessed for suitability for in vivo inhalation and in vitro tracking studies.

Molecular mechanisms of interactions of key molecules of each TP with NMs

Results of MD simulations of interaction between the specific molecules involved in the MIE/KE as identified in WP3 for selceted NMs. Report on binding rate, orientation, conformational change.

In vivo samples for transcriptomics studies (inhalation)

In vivo samples for transcriptomics studies (inhalation - rats, mice): Lung tissues collected 3, 30, 90 and 180 days after the end of animal exposure to assess short and long term effects of NMs.

A CG model of epithelial lining fluid, surfactant and mucus

A coarse-grained (DPD or LB/LD) molecular simulation model of epithelial lining fluid, surfactant and mucus including all the main components – lipids, proteins and sugars, validated against experimental data (surface tension, adsorption energy, viscosity).

Report of end-localization of NPs within relevant cells

Report of end-localization of NPs within relevant cells: results of cell lines (macrophages and lung epithelium cells) and lung tissue exposure to the functionalized and labeled NPs regarding trafficking, partitioning and accumulation of the NPs.

Identify and score the pathological outcome of the in vivo exposures

List and assessment of severity of pathological outcomes of the in vivo exposures: hystopathology, transcriptomics (and targeted proteomics) analyses of in vivo and in vitro exposures of mice and rats to the NMs.

Report on surface tension experiments

Report on surface tension experiments using the Constrained Drop Surfactometer: The effect of NMs adsorbed from aerosol on lung surfactant and on lung surface tension.

Report on statistical models that predict TPs for specific NMs.

Description of developed statistical models for predicting toxicity for specific NMs.

In vivo samples for transcriptomics studies (instillation)

In vivo samples for transcriptomics studies (instillation - mice): Lung tissues collected at different time points following animal exposure to assess short and long term effects of NMs.

Particle specific responses and their compliance between in vivo and in vitro

Report on the particle specific responses and their compliance between in vivo and in vitro as obtained fro momics analysis. Discussion of possibility of in vitro-in vivo extrapolation.

Isolation and archiving of biological samples for subsequent analysis

Isolation and archiving of biological in vivo samples (exposed mice / rats) for subsequent analysis (lung lavage analysis, hematology and histology, transcriptomics).

Labelled NPs for tracking within cells and tissues

Nanoparticles fluorescently or isotopically labeled to enable tracking within the cells and evaluation of the interactions with the NP coats such as protein corona or lipid wraps.

Candidate genes and pathways relevant to the AOPs for validation experiments

Results of analysis of the toxicity pathways and AOPs to identify specific biomarkers, MIEs and KEs relevant to each AOPs for validation experiments. List of identified bimarkers, MIEs, KEs.

Database of NP-BM interactions

Database of NP-BM interactions: new descriptors, suitable for bionano interface, (protein bindign affinities, hydration energies, band gaps, dissolution rates, etc.) for selected NMs (ip to 60) as calcualted by ab initio MD, atomistic and CG MD simulations.

Report of in vitro and in vivo toxicological properties of NM

Report of in vitro and in vivo toxicological properties of NM: Cytology and biochemistry of the bronchoalveolar fluid study to assess lung inflammation and toxicity, histological analyses on lung and liver, pulmonary inflammation in terms of broncho-alveolar lavage cell composition, DNA strand break levels in lung and liver tissues. Reverse Phase Protein Array study results to characterize classical signaling pathways activated by toxic NM.

In vitro samples for transcriptomics studies

Cocultures of mouse macrophage and epithelial cells will be prepared and used to study the toxicity NM and investigate the cellular uptake of NM as well as cell-specific gene expression profile and production of cytokines (P3, P4). A murine dose controlled air-liquid interface cell exposure system, provided by P12 will be applied.

List of nanomaterials and respective doses to be tested as TP benchmark

List of nanomaterials and respective doses to be tested as TP benchmark: results of literature survey, data mining, initial tests regarding the materials with well established toxic action.

NP coat composition

NP corona composition as determined by lipidomics and protomics study of the particles exposed to in vitro cell cultures and model membranes.

Report on mechanisms of corona/lipid wrap evolution

Report on mechanisms of corona/lipid wrap evolution as obtained from label-free quantitative mass-spectrometry-based proteomics and from high resolution Q-Exctive mass spectrometer for lipids.

Report the deduced toxicity-pathway specific end-points

Toxicity mechanisms (pathways) as established in statistical modelling and Bayesian analysis performed on the in vivo and in vitro proteomics and transcriptomics data.

Position paper on predictive in vitro models

he literature will be surveyed for providing a basis for the best selection of cultured cells and effects by different NMs. A position paper will be written on the poissibilities and limiations of in vitro toxicity assessment techniques.

Classification of NPs according to ability to penetrate membranes

Classification of NPs according to ability to modify, penetrate, or destroy lipid membranes (lung and epithelial cell membranes) as obtained in atomistic and CG simulations and theory.

Report on validity of the extracted TPs

Report on validation tests for the extracted TP/AOPs using blocking of pathways with pharmaceutical agents, gene silencing, or KO models (if available).

Exploitation plan

Exploitation plan for the materials modelling methods, in vitro toxicity assessment techniques, in silico toxicity assessment scheme.

Organisation of international conferences

Annual symposia around a major theme (in vivo, in vitro, in silico) of the project each year, which will also serve as a progress review for the project (Year 1 – Dublin;Year 2 – Ljubljana; Year 3 – Nancy) with invitation of other significant EU players (related H2020 projects and major EU labs).

Submission of AOPs to OECD database

Submission of AOPs to OECD database: novel respiratory or NM-related AOPs (up to 5), established and validated within the project.

Final Nanotox Symposium

Final Nanotox Symposium summarizing all the progress made and considering the next steps. All the partners represented, 5-6 invited speakers.

Development of the data portal

Portal for data storage, exchange, annotation and evaluation between the partners as a part of the project website with restricted access.

Establishment of a stakeholder advisory board

Establishment of a stakeholder advisory board: invitation of top experts in toxicology, nanomaterials, software engineering, environmental safety to participate in the project advisory board.

Development of a public database of NM descriptors

Development of a public database of NM descriptors: a database format for the NM descriptors upon consultation with eNanoMapper, Nanoreg 2, NanoSafe, OpenTox.

Research data management plan

Plan for dissemination, storage and maintenance of obtained data during and after project term. List of data to be stored, formats and technologies.

Publicaciones

Quantitative measurement of carbon nanotubes in rat lung

Autores: Jérôme Devoy, Hervé Nunge, Elodie Bonfanti, Carole Seidel, Laurent Gaté, Frédéric Cosnier
Publicado en: Nanotoxicology, 2020, Página(s) 1-14, ISSN 1743-5390
Editor: Informa Healthcare
DOI: 10.1080/17435390.2020.1814439

Prediction of Chronic Inflammation for Inhaled Particles: the Impact of Material Cycling and Quarantining in the Lung Epithelium

Autores: Hana Kokot, Boštjan Kokot, Aleksandar Sebastijanović, Carola Voss, Rok Podlipec, Patrycja Zawilska, Trine Berthing, Carolina Ballester López, Pernille Høgh Danielsen, Claudia Contini, Mikhail Ivanov, Ana Krišelj, Petra Čotar, Qiaoxia Zhou, Jessica Ponti, Vadim Zhernovkov, Matthew Schneemilch, Zahra Doumandji, Mojca Pušnik, Polona Umek, Stane Pajk, Olivier Joubert, Otmar Schmid, Iztok Urban
Publicado en: Advanced Materials, 2020, Página(s) 2003913, ISSN 0935-9648
Editor: United Nations Industrial Developement Organization
DOI: 10.1002/adma.202003913

Multimodal Precision Imaging of Pulmonary Nanoparticle Delivery in Mice: Dynamics of Application, Spatial Distribution, and Dosimetry

Autores: Lin Yang, Regine Gradl, Martin Dierolf, Winfried Möller, David Kutschke, Annette Feuchtinger, Lorenz Hehn, Martin Donnelley, Benedikt Günther, Klaus Achterhold, Axel Walch, Tobias Stoeger, Daniel Razansky, Franz Pfeiffer, Kaye S. Morgan, Otmar Schmid
Publicado en: Small, Edición 15/49, 2019, Página(s) 1904112, ISSN 1613-6810
Editor: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.201904112

Toxicity of TiO2 Nanoparticles: Validation of Alternative Models

Autores: Mélanie M. Leroux, Zahra Doumandji, Laetitia Chézeau, Laurent Gaté, Sara Nahle, Romain Hocquel, Vadim Zhernovkov, Sylvie Migot, Jafar Ghanbaja, Céline Bonnet, Raphaël Schneider, Bertrand H. Rihn, Luc Ferrari, Olivier Joubert
Publicado en: International Journal of Molecular Sciences, Edición 21/14, 2020, Página(s) 4855, ISSN 1422-0067
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms21144855

Atomistic Perspective on Biomolecular Adsorption on Functionalized Carbon Nanomaterials under Ambient Conditions

Autores: Marzieh Saeedimasine, Erik G. Brandt, Alexander P. Lyubartsev
Publicado en: The Journal of Physical Chemistry B, 2020, ISSN 1520-6106
Editor: American Chemical Society
DOI: 10.1021/acs.jpcb.0c08622

Diffusion and reaction pathways of water near fully hydrated TiO2 surfaces from ab initio molecular dynamics

Autores: Lorenzo Agosta, Erik G. Brandt, Alexander P. Lyubartsev
Publicado en: The Journal of Chemical Physics, 2017, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/1.4991381

Nanoparticle–membrane interactions

Autores: Claudia Contini, Matthew Schneemilch, Simon Gaisford, Nick Quirke
Publicado en: Journal of Experimental Nanoscience, 2017, Página(s) 1-20, ISSN 1745-8080
Editor: Taylor & Francis
DOI: 10.1080/17458080.2017.1413253

On the pivotal role of dose for particle toxicology and risk assessment: exposure is a poor surrogate for delivered dose

Autores: Otmar Schmid, Flemming R. Cassee
Publicado en: Particle and Fibre Toxicology, Edición 14/1, 2017, ISSN 1743-8977
Editor: BioMed Central
DOI: 10.1186/s12989-017-0233-1

Editorial: dose-dependent ZnO particle-induced acute phase response in humans warrants re-evaluation of occupational exposure limits for metal oxides

Autores: Ulla Vogel, Flemming R. Cassee
Publicado en: Particle and Fibre Toxicology, Edición 15/1, 2018, ISSN 1743-8977
Editor: BioMed Central
DOI: 10.1186/s12989-018-0247-3

Free energy of adhesion of lipid bilayers on silica surfaces

Autores: M. Schneemilch, N. Quirke
Publicado en: The Journal of Chemical Physics, Edición 148/19, 2018, Página(s) 194704, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/1.5028557

Disruption of protein homeostasis: a potential biomarker of exposure to three metal oxide nanoparticles

Autores: Zahra M. Doumandji, Bertrand Rihn, Olivier Joubert
Publicado en: Free Radical Biology and Medicine, Edición 120, 2018, Página(s) S88, ISSN 0891-5849
Editor: Elsevier BV
DOI: 10.1016/j.freeradbiomed.2018.04.290

Nanoparticles Can Wrap Epithelial Cell Membranes and Relocate Them Across the Epithelial Cell Layer

Autores: Iztok Urbančič, Maja Garvas, Boštjan Kokot, Hana Majaron, Polona Umek, Hilary Cassidy, Miha Škarabot, Falk Schneider, Silvia Galiani, Zoran Arsov, Tilen Koklic, David Matallanas, Miran Čeh, Igor Muševič, Christian Eggeling, Janez Štrancar
Publicado en: Nano Letters, 2018, ISSN 1530-6984
Editor: American Chemical Society
DOI: 10.1021/acs.nanolett.8b02291

Physicochemical predictors of Multi-Walled Carbon Nanotube-induced pulmonary histopathology and toxicity one year after pulmonary deposition of 11 different Multi-Walled Carbon Nanotubes in mice

Autores: Kristina Bram Knudsen, Trine Berthing, Petra Jackson, Sarah Søs Poulsen, Alicja Mortensen, Nicklas Raun Jacobsen, Vidar Skaug, Józef Szarek, Karin Sørig Hougaard, Henrik Wolff, Håkan Wallin, Ulla Vogel
Publicado en: Basic & Clinical Pharmacology & Toxicology, 2018, ISSN 1742-7835
Editor: Nordic Pharmacological Society
DOI: 10.1111/bcpt.13119

Transcriptionally inducible Pleckstrin homology-like domain, family A, member 1, attenuates ErbB receptor activity by inhibiting receptor oligomerization

Autores: Shigeyuki Magi, Kazunari Iwamoto, Noriko Yumoto, Michio Hiroshima, Takeshi Nagashima, Rieko Ohki, Amaya Garcia-Munoz, Natalia Volinsky, Alexander Von Kriegsheim, Yasushi Sako, Koichi Takahashi, Shuhei Kimura, Boris N. Kholodenko, Mariko Okada-Hatakeyama
Publicado en: Journal of Biological Chemistry, Edición 293/6, 2018, Página(s) 2206-2218, ISSN 0021-9258
Editor: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1074/jbc.M117.778399

Reconstructing static and dynamic models of signaling pathways using Modular Response Analysis

Autores: Tapesh Santra, Oleksii Rukhlenko, Vadim Zhernovkov, Boris N. Kholodenko
Publicado en: Current Opinion in Systems Biology, Edición 9, 2018, Página(s) 11-21, ISSN 2452-3100
Editor: Elsevier BV
DOI: 10.1016/j.coisb.2018.02.003

New insights into RAS biology reinvigorate interest in mathematical modeling of RAS signaling

Autores: Keesha E. Erickson, Oleksii S. Rukhlenko, Richard G. Posner, William S. Hlavacek, Boris N. Kholodenko
Publicado en: Seminars in Cancer Biology, 2018, ISSN 1044-579X
Editor: Academic Press
DOI: 10.1016/j.semcancer.2018.02.008

Dissecting RAF Inhibitor Resistance by Structure-based Modeling Reveals Ways to Overcome Oncogenic RAS Signaling

Autores: Oleksii S. Rukhlenko, Fahimeh Khorsand, Aleksandar Krstic, Jan Rozanc, Leonidas G. Alexopoulos, Nora Rauch, Keesha E. Erickson, William S. Hlavacek, Richard G. Posner, Silvia Gómez-Coca, Edina Rosta, Cheree Fitzgibbon, David Matallanas, Jens Rauch, Walter Kolch, Boris N. Kholodenko
Publicado en: Cell Systems, Edición 7/2, 2018, Página(s) 161-179.e14, ISSN 2405-4712
Editor: Elsevier BV
DOI: 10.1016/j.cels.2018.06.002

Revisiting the stress paradigm for silica nanoparticles: decoupling of the anti-oxidative defense, pro-inflammatory response and cytotoxicity

Autores: Susanne Fritsch-Decker, Clarissa Marquardt, Tobias Stoeger, Silvia Diabaté, Carsten Weiss
Publicado en: Archives of Toxicology, Edición 92/7, 2018, Página(s) 2163-2174, ISSN 0340-5761
Editor: Springer Verlag
DOI: 10.1007/s00204-018-2223-y

MAPK kinase signalling dynamics regulate cell fate decisions and drug resistance

Autores: Rauch N., Rukhlenko O., Kolch W., Kholodenko B.
Publicado en: Current Opinion in Structural Biology, Edición 41, 2016, Página(s) 151–158, ISSN 0959-440X
Editor: Elsevier BV
DOI: 10.1016/j.sbi.2016.07.019

Free energy of adsorption of supported lipid bilayers from molecular dynamics simulation

Autores: Schneemilch M., Quirke N.
Publicado en: Free energy of adsorption of supported lipid bilayers from molecular dynamics simulation, Edición 664, 2016, Página(s) 199–204, ISSN 0009-2614
Editor: Elsevier BV
DOI: 10.1016/j.cplett.2016.10.010

Reactive wetting properties of TiO2 nanoparticles predicted by ab-initio molecular dynamics simulations

Autores: Agosta L., Brandt e., Lyubartsev A.P.
Publicado en: Nanoscale, Edición 8, 2016, Página(s) 13385-13398, ISSN 2040-3364
Editor: Royal Society of Chemistry
DOI: 10.1039/c6nr02791a

Rac1 and RhoA: Networks, loops and bistability

Autores: Lan K. Nguyen, Boris N. Kholodenko, Alex von Kriegsheim
Publicado en: Small GTPases, Edición 17, 2016, Página(s) 1-6, ISSN 2154-1248
Editor: Landes Bioscience
DOI: 10.1080/21541248.2016.1224399

The MST/Hippo pathway and cell death: An non-canonical affair

Autores: Fallahi E, O'Driscoll NA, Matallanas D.
Publicado en: Genes (Basel), Edición 17, 2016, ISSN 2073-4425
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/genes7060028

Pulmonary toxicity of two different multi-walled carbon nanotubes in rat: Comparison between intratracheal instillation and inhalation exposure

Autores: Laurent Gaté, Kristina Bram Knudsen, Carole Seidel, Trine Berthing, Laëtitia Chézeau, Nicklas Raun Jacobsen, Sarah Valentino, Håkan Wallin, Sébastien Bau, Henrik Wolff, Sylvie Sébillaud, Mylène Lorcin, Stéphane Grossmann, Stéphane Viton, Hervé Nunge, Christian Darne, Ulla Vogel, Frédéric Cosnier
Publicado en: Toxicology and Applied Pharmacology, Edición 375, 2019, Página(s) 17-31, ISSN 0041-008X
Editor: Academic Press
DOI: 10.1016/j.taap.2019.05.001

Erratum: “Free energy of adhesion of lipid bilayers on silica surfaces” [J. Chem. Phys. 148, 194704 (2018)]

Autores: M. Schneemilch, N. Quirke
Publicado en: The Journal of Chemical Physics, Edición 150/22, 2019, Página(s) 229901, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/1.5111197

An integrative computational approach for a prioritization of key transcription regulators associated with nanomaterial-induced toxicity

Autores: Vadim Zhernovkov, Tapesh Santra, Hilary Cassidy, Oleksii Rukhlenko, David Matallanas, Aleksandar Krstic, Walter Kolch, Vladimir Lobaskin, Boris N Kholodenko
Publicado en: Toxicological Sciences, 2019, ISSN 1096-6080
Editor: Oxford University Press
DOI: 10.1093/toxsci/kfz151

Acute phase response and inflammation following pulmonary exposure to low doses of zinc oxide nanoparticles in mice

Autores: Niels Hadrup, Feriel Rahmani, Nicklas R. Jacobsen, Anne T. Saber, Petra Jackson, Stefan Bengtson, Andrew Williams, Håkan Wallin, Sabina Halappanavar, Ulla Vogel
Publicado en: Nanotoxicology, 2019, Página(s) 1-18, ISSN 1743-5390
Editor: Informa Healthcare
DOI: 10.1080/17435390.2019.1654004

A multiscale model of protein adsorption on a nanoparticle surface

Autores: David Power, Ian Rouse, Stefano Poggio, Erik Brandt, Hender Lopez, Alexander Lyubartsev, Vladimir Lobaskin
Publicado en: Modelling and Simulation in Materials Science and Engineering, Edición 27/8, 2019, Página(s) 084003, ISSN 0965-0393
Editor: Institute of Physics Publishing
DOI: 10.1088/1361-651x/ab3b6e

Free energy of adhesion of lipid bilayers on titania surfaces

Autores: M. Schneemilch, N. Quirke
Publicado en: The Journal of Chemical Physics, Edición 151/13, 2019, Página(s) 134707, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/1.5120810

Effects of physicochemical properties of TiO2 nanomaterials for pulmonary inflammation, acute phase response and alveolar proteinosis in intratracheally exposed mice

Autores: Pernille Høgh Danielsen, Kristina Bram Knudsen, Janez Štrancar, Polona Umek, Tilen Koklič, Maja Garvas, Esa Vanhala, Sauli Savukoski, Yaobo Ding, Anne Mette Madsen, Nicklas Raun Jacobsen, Ingrid Konow Weydahl, Trine Berthing, Sarah Søs Poulsen, Otmar Schmid, Henrik Wolff, Ulla Vogel
Publicado en: Toxicology and Applied Pharmacology, 2019, Página(s) 114830, ISSN 0041-008X
Editor: Academic Press
DOI: 10.1016/j.taap.2019.114830

Ranking of nanomaterial potency to induce pathway perturbations associated with lung responses

Autores: Sabina Halappanavar, Luna Rahman, Jake Nikota, Sarah S. Poulsen, Yaobo Ding, Petra Jackson, Hakan Wallin, Otmar Schmid, Ulla Vogel, Andrew Williams
Publicado en: NanoImpact, Edición 14, 2019, Página(s) 100158, ISSN 2452-0748
Editor: Elsevier BV
DOI: 10.1016/j.impact.2019.100158

Pulmonary toxicity of Fe2O3, ZnFe2O4, NiFe2O4 and NiZnFe4O8 nanomaterials: inflammation and DNA strand breaks

Autores: Niels Hadrup, Anne T. Saber, Zdenka O. Kyjovska, Nicklas R. Jacobsen, Minnamari Vippola, Essi Sarlin, Yaobo Ding, Otmar Schmid, Håkan Wallin, Keld A. Jensen, Ulla Vogel
Publicado en: Environmental Toxicology and Pharmacology, 2019, Página(s) 103303, ISSN 1382-6689
Editor: Elsevier BV
DOI: 10.1016/j.etap.2019.103303

Protein and lipid homeostasis altered in rat macrophages after exposure to metallic oxide nanoparticles

Autores: Doumandji Zahra, Safar Ramia, Lovera-Leroux Mélanie, Nahle Sara, Cassidy Hilary, Matallanas David, Rihn Bertrand, Ferrari Luc, Joubert Olivier
Publicado en: Cell Biology and Toxicology, 2019, ISSN 0742-2091
Editor: Kluwer Academic Publishers
DOI: 10.1007/s10565-019-09484-6

Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations

Autores: Fernando Luís Barroso da Silva, Paolo Carloni, David Cheung, Grazia Cottone, Serena Donnini, E. Allen Foegeding, Muhammad Gulzar, Jean Christophe Jacquier, Vladimir Lobaskin, Donal MacKernan, Zeynab Mohammad Hosseini Naveh, Ravi Radhakrishnan, Erik E. Santiso
Publicado en: Annual Review of Food Science and Technology, Edición 11/1, 2020, Página(s) 365-387, ISSN 1941-1413
Editor: Annual Reviews Inc.
DOI: 10.1146/annurev-food-032519-051640

Semantic Interoperability and Characterization of Data Provenance in Computational Molecular Engineering

Autores: Martin Thomas Horsch, Christoph Niethammer, Gianluca Boccardo, Paola Carbone, Silvia Chiacchiera, Mara Chiricotto, Joshua D. Elliott, Vladimir Lobaskin, Philipp Neumann, Peter Schiffels, Michael A. Seaton, Ilian T. Todorov, Jadran Vrabec, Welchy Leite Cavalcanti
Publicado en: Journal of Chemical & Engineering Data, Edición 65/3, 2020, Página(s) 1313-1329, ISSN 0021-9568
Editor: American Chemical Society
DOI: 10.1021/acs.jced.9b00739

From the roundabout of molecular events to nanomaterial-induced chronic inflammation prediction

Autores: Hana Majaron, Boštjan Kokot, Aleksandar Sebastijanović, Carola Voss, Rok Podlipec, Patrycja Zawilska, Trine Berthing, Carolina Ballester López, Pernille Høgh Danielsen, Claudia Contini, Mikhail Ivanov, Ana Krišelj, Petra Čotar, Qiaoxia Zhou, Jessica Ponti, Vadim Zhernovkov, Matthew Schneemilch, Zahra Manel Doumandji, Mojca Pušnik, Polona Umek, Stane Pajk, Olivier Joubert, Otmar Schmid, Izto
Publicado en: BioRxiv, 2020, ISSN 1943-0264
Editor: Cold Spring Harbor Laboratory Press
DOI: 10.1101/2020.02.27.966036

Acute Phase Response as a Biological Mechanism-of-Action of (Nano)particle-Induced Cardiovascular Disease

Autores: Niels Hadrup, Vadim Zhernovkov, Nicklas Raun Jacobsen, Carola Voss, Maximilian Strunz, Meshal Ansari, Herbert B. Schiller, Sabina Halappanavar, Sarah S. Poulsen, Boris Kholodenko, Tobias Stoeger, Anne Thoustrup Saber, Ulla Vogel
Publicado en: Small, 2020, Página(s) 1907476, ISSN 1613-6810
Editor: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/smll.201907476

Adverse outcome pathways as a tool for the design of testing strategies to support the safety assessment of emerging advanced materials at the nanoscale

Autores: Sabina Halappanavar, Sybille van den Brule, Penny Nymark, Laurent Gaté, Carole Seidel, Sarah Valentino, Vadim Zhernovkov, Pernille Høgh Danielsen, Andrea De Vizcaya, Henrik Wolff, Tobias Stöger, Andrey Boyadziev, Sarah Søs Poulsen, Jorid Birkelund Sørli, Ulla Vogel
Publicado en: Particle and Fibre Toxicology, Edición 17/1, 2020, ISSN 1743-8977
Editor: BioMed Central
DOI: 10.1186/s12989-020-00344-4

Translating Scientific Advances in the AOP Framework to Decision Making for Nanomaterials

Autores: James D. Ede, Vladimir Lobaskin, Ulla Vogel, Iseult Lynch, Sabina Halappanavar, Shareen H. Doak, Megan G. Roberts, Jo Anne Shatkin
Publicado en: Nanomaterials, Edición 10/6, 2020, Página(s) 1229, ISSN 2079-4991
Editor: MDPI AG
DOI: 10.3390/nano10061229

Prediction of acute inhalation toxicity using in vitro lung surfactant inhibition

Autores: Jorid Sørli
Publicado en: ALTEX, 2017, ISSN 1868-596X
Editor: ALTEX
DOI: 10.14573/altex.1705181

Diffusion and reaction pathways of water near fully hydrated TiO 2 surfaces from ab initio molecular dynamics

Autores: Lorenzo Agosta, Erik G. Brandt, Alexander P. Lyubartsev
Publicado en: The Journal of Chemical Physics, Edición 147/2, 2017, Página(s) 024704, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/1.4991381

Modeling of receptor tyrosine kinase signaling: computational and experimental protocols

Autores: Dirk Fey, Edita Aksamitiene, Anatoly Kiyatkin, Boris N. Kholodenko
Publicado en: Methods Mol Biol, Edición 1636, 2017, Página(s) 417-453, ISSN 1064-3745
Editor: Humana Press, Inc.
DOI: 10.1007/978-1-4939-7154-1_27

Performance of objective functions and optimisation procedures for parameter estimation in system biology models

Autores: Andrea Degasperi, Dirk Fey, Boris N. Kholodenko
Publicado en: npj Systems Biology and Applications, Edición 3/1, 2017, ISSN 2056-7189
Editor: Springer Nature
DOI: 10.1038/s41540-017-0023-2

Early pulmonary response is critical for extra-pulmonary carbon nanoparticle mediated effects: comparison of inhalation versus intra-arterial infusion exposures in mice

Autores: Koustav Ganguly, Dariusch Ettehadieh, Swapna Upadhyay, Shinji Takenaka, Thure Adler, Erwin Karg, Fritz Krombach, Wolfgang G. Kreyling, Holger Schulz, Otmar Schmid, Tobias Stoeger
Publicado en: Particle and Fibre Toxicology, Edición 14/1, 2017, ISSN 1743-8977
Editor: BioMed Central
DOI: 10.1186/s12989-017-0200-x

Nanoparticle exposure reactivates latent herpesvirus and restores a signature of acute infection

Autores: Christine Sattler, Franco Moritz, Shanze Chen, Beatrix Steer, David Kutschke, Martin Irmler, Johannes Beckers, Oliver Eickelberg, Philippe Schmitt-Kopplin, Heiko Adler, Tobias Stoeger
Publicado en: Particle and Fibre Toxicology, Edición 14/1, 2017, ISSN 1743-8977
Editor: BioMed Central
DOI: 10.1186/s12989-016-0181-1

Stat-6 signaling pathway and not Interleukin-1 mediates multi-walled carbon nanotube-induced lung fibrosis in mice: insights from an adverse outcome pathway framework

Autores: Jake Nikota, Allyson Banville, Laura Rose Goodwin, Dongmei Wu, Andrew Williams, Carole Lynn Yauk, Håkan Wallin, Ulla Vogel, Sabina Halappanavar
Publicado en: Particle and Fibre Toxicology, Edición 14/1, 2017, ISSN 1743-8977
Editor: BioMed Central
DOI: 10.1186/s12989-017-0218-0

Predicting drug loading in PLA-PEG nanoparticles

Autores: M. Meunier, A. Goupil, P. Lienard
Publicado en: International Journal of Pharmaceutics, Edición 526/1-2, 2017, Página(s) 157-166, ISSN 0378-5173
Editor: Elsevier BV
DOI: 10.1016/j.ijpharm.2017.04.043

Genes expression profiling of alveolar macrophages exposed to non-functionalized, anionic and cationic multi-walled carbon nanotubes shows three different mechanisms of toxicity

Autores: Sara Nahle, Hilary Cassidy, Mélanie M. Leroux, Reuben Mercier, Jaafar Ghanbaja, Zahra Doumandji, David Matallanas, Bertrand H. Rihn, Olivier Joubert, Luc Ferrari
Publicado en: Journal of Nanobiotechnology, Edición 18/1, 2020, ISSN 1477-3155
Editor: BioMed Central
DOI: 10.1186/s12951-020-0587-7

Quartz crystal microbalances (QCM) are suitable for real-time dosimetry in nanotoxicological studies using VITROCELL®Cloud cell exposure systems

Autores: Yaobo Ding, Patrick Weindl, Anke-Gabriele Lenz, Paula Mayer, Tobias Krebs, Otmar Schmid
Publicado en: Particle and Fibre Toxicology, Edición 17/1, 2020, ISSN 1743-8977
Editor: BioMed Central
DOI: 10.1186/s12989-020-00376-w

Inhaled multi-walled carbon nanotubes differently modulate global gene and protein expression in rat lungs

Autores: Carole Seidel, Vadim Zhernovkov, Hilary Cassidy, Boris Kholodenko, David Matallanas, Frédéric Cosnier, Laurent Gaté
Publicado en: Nanotoxicology, 2020, Página(s) 1-19, ISSN 1743-5390
Editor: Informa Healthcare
DOI: 10.1080/17435390.2020.1851418

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

Autores: Shada A. Alsharif, David Power, Ian Rouse, Vladimir Lobaskin
Publicado en: Nanomaterials, Edición 10/10, 2020, Página(s) 1967, ISSN 2079-4991
Editor: MDPI AG
DOI: 10.3390/nano10101967

Size matters: Size Dependency of Gold Nanoparticles Interacting with Model Membranes

Autores: Claudia Contini, James W. Hindley, Tom Macdonald, Joseph Barritt, Oscar Ces, Nick Quirke
Publicado en: ChemRxiv, 2019, ISSN 2573-2293
Editor: American Chemical Society (ACS)
DOI: 10.26434/chemrxiv.10246928

"Bionano Interactions: A Key to Mechanistic Understanding of Nanoparticle Toxicity, Chapter 4 in ""Computational Nanotoxicology: Challenges and Perspectives"""

Autores: Power D, Poggio S, Lopez H, Lobaskin V.
Publicado en: 2019, ISBN 978-9814-800648
Editor: Jenny Stanford Publishing

The Nanoparticle “Coronome” is mainly explained by interpro domains of proteins

Autores: Joubert O., Rihn,P., Rihn B.H.
Publicado en: Biomedical Application of Nanoparticles, 2017, ISBN 9781-498750011
Editor: CRC Press

In vitro exposure systems to assess the toxicity of airborne substances

Autores: Krebs T., Mülhopt S., Diabaté S., Schlager C., Paur H.R., Dilger M.
Publicado en: Biomedical Application of Nanoparticles, 2017, ISBN 9781-498750011
Editor: CRC Press

Nanomedicine: a complex interplay between patients, science, and society

Autores: André J.C, Simon J, Rihn B.H.
Publicado en: Biomedical Application of Nanoparticles, 2017, ISBN 9781-498750011
Editor: CRC Press

Nanoparticles as nitroso-glutathion vehicles

Autores: Ferrari L., Diab R., Nemos C., Safar R., Puisney C.
Publicado en: Biomedical Application of Nanoparticles, 2017, ISBN 9781-498750011
Editor: CRC Press

Nanoparticles and viruses as mitophagy inducers in immune cells

Autores: Eidi H., Doumandji Z., Tomljenovic L., Rihn B.H.
Publicado en: Biomedical Application of Nanoparticles, 2017, ISBN 9781-498750011
Editor: CRC Press

In vivo evaluation of the hepatonephrotoxicity of polymeric nanoparticles in rats

Autores: Abdel-Wahhab M.A., Joubert O., El-Nekeety A.A., Abdel-Wahhab K.G., Ronzani C., Safar R., El-Kady A.A., Hassan N.S, Mannaa F.A, Rihn B.H.
Publicado en: Biomedical Application of Nanoparticles, 2017, ISBN 9781-498750011
Editor: CRC Press

Rodent inhalation studies in nanomaterial risk assessment

Autores: Gaté L., Cosnier F.,Cassee F.R.
Publicado en: Biomedical Application of Nanoparticles, 2017, ISBN 9781-498750011
Editor: CRC Press

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