Design of polyPEPTIdes diblock copolymers as emulsifiers to produce safe, controlled and reliable novel stimuli-responsive nanoCAPSules for skin care applications

Livrables

New CORAL models available on the CORAL website

Implementation of the new software to the CORAL website

Project website
Visual identity, including Brochure, presentation, poster, leaflet

Dissemination strategy
Open access summary report
Master document with all data required for nanomaterials for product registration and validation

Document template with all the requirements to assess the safety of ENM

Report on pre-normative solution for standardization of identified gaps

Report that describes suitable solutions for the standardization of the characterization of smart ENM that will be submitted to ESN to establish new norms and protocols for these new materials

Publications

Monte Carlo-based quantitative structure-activity relationship models for toxicity of organic chemicals to Daphnia magna

Auteurs: Alla P. Toropova, Andrey A. Toropov, Aleksandar M. Veselinović, Jovana B. Veselinović, Danuta Leszczynska, Jerzy Leszczynski
Publié dans: Environmental Toxicology and Chemistry, Numéro 35/11, 2016, Page(s) 2691-2697, ISSN 0730-7268
Éditeur: Society of Environmental Toxicology and Chemistry
DOI: 10.1002/etc.3466

CORAL: Binary classifications (active/inactive) for drug-induced liver injury

Auteurs: Alla P. Toropova, Andrey A. Toropov
Publié dans: Toxicology Letters, Numéro 268, 2017, Page(s) 51-57, ISSN 0378-4274
Éditeur: Elsevier BV
DOI: 10.1016/j.toxlet.2017.01.011

Monte Carlo method for predicting of cardiac toxicity: hERG blocker compounds

Auteurs: Marco Gobbi, Marten Beeg, Mariya A. Toropova, Andrey A. Toropov, Mario Salmona
Publié dans: Toxicology Letters, Numéro 250-251, 2016, Page(s) 42-46, ISSN 0378-4274
Éditeur: Elsevier BV
DOI: 10.1016/j.toxlet.2016.04.010

Preparation of oil-in-water nanoemulsions at large-scale using premix membrane emulsification and Shirasu Porous Glass (SPG) membranes

Auteurs: Océane Alliod, Jean-Pierre Valour, Sébastien Urbaniak, Hatem Fessi, Damien Dupin, Catherine Charcosset
Publié dans: Colloids and Surfaces A: Physicochemical and Engineering Aspects, Numéro 557, 2018, Page(s) 76-84, ISSN 0927-7757
Éditeur: Elsevier BV
DOI: 10.1016/j.colsurfa.2018.04.045

Odor threshold prediction by means of the Monte Carlo method

Auteurs: Andrey A. Toropov, Alla P. Toropova, Luigi Cappellini, Emilio Benfenati, Enrico Davoli
Publié dans: Ecotoxicology and Environmental Safety, Numéro 133, 2016, Page(s) 390-394, ISSN 0147-6513
Éditeur: Academic Press
DOI: 10.1016/j.ecoenv.2016.07.039

The Utilization of the Monte Carlo Technique for Rational Drug Discovery

Auteurs: Mariya A. Toropova, Ivan RaŠka, Andrey A. Toropov, Mária RaŠková
Publié dans: Combinatorial Chemistry & High Throughput Screening, Numéro 19/8, 2016, Page(s) 676-687, ISSN 1386-2073
Éditeur: Bentham Science Publishers
DOI: 10.2174/1386207319666160725145852

CORAL Software: Analysis of Impacts of Pharmaceutical Agents Upon Metabolism via the Optimal Descriptors

Auteurs: Mariya A. Toropova, Ivan Raska Jr, Alla P. Toporova, Maria Raskova
Publié dans: Current Drug Metabolism, Numéro 18/6, 2017, ISSN 1389-2002
Éditeur: Bentham Science Publishers
DOI: 10.2174/1389200218666170301105916

Utilization of the Monte Carlo Method to Build up QSAR Models for Hemolysis and Cytotoxicity of Antimicrobial Peptides

Auteurs: Alla P. Toropova, Andrey A. Toropov, Marten Beeg, Marco Gobbi, Mario Salmona
Publié dans: Current Drug Discovery Technologies, Numéro 14/4, 2017, ISSN 1570-1638
Éditeur: Bentham Science Publishers
DOI: 10.2174/1570163814666170525114128

Towards predicting the solubility of CO 2 and N 2 in different polymers using a quasi-SMILES based QSPR approach

Auteurs: A. A. Toropov, A. P. Toropova, S. Begum, P. G. R. Achary
Publié dans: SAR and QSAR in Environmental Research, Numéro 27/4, 2016, Page(s) 293-301, ISSN 1062-936X
Éditeur: Taylor & Francis
DOI: 10.1080/1062936X.2016.1172666

Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles

Auteurs: Andrey A. Toropov, P. Ganga Raju Achary, Alla P. Toropova
Publié dans: Chemical Physics Letters, Numéro 660, 2016, Page(s) 107-110, ISSN 0009-2614
Éditeur: Elsevier BV
DOI: 10.1016/j.cplett.2016.08.018

Quasi-SMILES as a tool to utilize eclectic data for predicting the behavior of nanomaterials

Auteurs: Alla P. Toropova, Andrey A. Toropov, Serena Manganelli, Caterina Leone, Diego Baderna, Emilio Benfenati, Roberto Fanelli
Publié dans: NanoImpact, Numéro 1, 2016, Page(s) 60-64, ISSN 2452-0748
Éditeur: Elsevier
DOI: 10.1016/j.impact.2016.04.003

The Monte Carlo technique as a tool to predict LOAEL

Auteurs: Jovana B. Veselinović, Aleksandar M. Veselinović, Alla P. Toropova, Andrey A. Toropov
Publié dans: European Journal of Medicinal Chemistry, Numéro 116, 2016, Page(s) 71-75, ISSN 0223-5234
Éditeur: Elsevier BV
DOI: 10.1016/j.ejmech.2016.03.075

CORAL and Nano-QFAR: Quantitative feature – Activity relationships (QFAR) for bioavailability of nanoparticles (ZnO, CuO, Co 3 O 4 , and TiO 2 )

Auteurs: Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski
Publié dans: Ecotoxicology and Environmental Safety, Numéro 139, 2017, Page(s) 404-407, ISSN 0147-6513
Éditeur: Academic Press
DOI: 10.1016/j.ecoenv.2017.01.054

Nano-QSAR in cell biology: Model of cell viability as a mathematical function of available eclectic data

Auteurs: Alla P. Toropova, Andrey A. Toropov
Publié dans: Journal of Theoretical Biology, Numéro 416, 2017, Page(s) 113-118, ISSN 0022-5193
Éditeur: Academic Press
DOI: 10.1016/j.jtbi.2017.01.012

A quasi-SMILES based QSPR Approach towards the prediction of adsorption energy of Ziegler − Natta catalysts for propylene polymerization

Auteurs: P. Ganga Raju Achary, Sanija Begum, Alla P. Toropova, Andrey A. Toropov
Publié dans: Materials Discovery, Numéro 5, 2016, Page(s) 22-28, ISSN 2352-9245
Éditeur: Elsevier
DOI: 10.1016/j.md.2016.12.003

Development of Monte Carlo Approaches in Support of Environmental Research

Auteurs: Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Robert Rallo, Danuta Leszczynska, Jerzy Leszczynski
Publié dans: Advances in QSAR Modeling, Numéro 24, 2017, Page(s) 453-469, ISBN 978-3-319-56849-2
Éditeur: Springer International Publishing
DOI: 10.1007/978-3-319-56850-8_12

Quasi-SMILES as a Novel Tool for Prediction of Nanomaterials′ Endpoints

Auteurs: A.P. Toropova, A.A. Toropov, A.M. Veselinović, J.B. Veselinović, D. Leszczynska, J. Leszczynski
Publié dans: Multi-Scale Approaches in Drug Discovery, 2017, Page(s) 191-221, ISBN 9780-081011294
Éditeur: Elsevier
DOI: 10.1016/B978-0-08-101129-4.00008-4

Quasi-SMILES for Nano-QSAR Prediction of Toxic Effect of Al2O3 Nanoparticles

Auteurs: Alla P. Toropova, P. Ganga Raju Achary, Andrey A. Toropov
Publié dans: Journal of Nanotoxicology and Nanomedicine, Numéro 1 10.4018/JNN.2016 http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/JNN.2016/1, 2016, Page(s) 17-28, ISSN 2379-7452
Éditeur: IGI Publishing
DOI: 10.4018/JNN.2016010102

Assessment of nano-QSPR models of organic contaminant absorption by carbon nanotubes for ecological impact studies

Auteurs: Alla P. Toropova, Andrey A. Toropov
Publié dans: Materials Discovery, Numéro 4, 2016, Page(s) 22-28, ISSN 2352-9245
Éditeur: Elsevier
DOI: 10.1016/j.md.2016.03.003

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