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

Risultati finali

New CORAL models available on the CORAL website

Implementation of the new software to the CORAL website

Project website

Project website

Visual identity, including Brochure, presentation, poster, leaflet

Visual identity, including Brochure, presentation, poster, leaflet

Dissemination strategy

Dissemination strategy

Open access summary report

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

Pubblicazioni

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

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

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

Autori: Alla P. Toropova, Andrey A. Toropov
Pubblicato in: Toxicology Letters, 268, 2017, Page(s) 51-57, ISSN 0378-4274
Editore: Elsevier BV
DOI: 10.1016/j.toxlet.2017.01.011

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

Autori: Marco Gobbi, Marten Beeg, Mariya A. Toropova, Andrey A. Toropov, Mario Salmona
Pubblicato in: Toxicology Letters, 250-251, 2016, Page(s) 42-46, ISSN 0378-4274
Editore: 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

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

Odor threshold prediction by means of the Monte Carlo method

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

The Utilization of the Monte Carlo Technique for Rational Drug Discovery

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

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

Autori: Mariya A. Toropova, Ivan Raska Jr, Alla P. Toporova, Maria Raskova
Pubblicato in: Current Drug Metabolism, 18/6, 2017, ISSN 1389-2002
Editore: 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

Autori: Alla P. Toropova, Andrey A. Toropov, Marten Beeg, Marco Gobbi, Mario Salmona
Pubblicato in: Current Drug Discovery Technologies, 14/4, 2017, ISSN 1570-1638
Editore: 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

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

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

Autori: Andrey A. Toropov, P. Ganga Raju Achary, Alla P. Toropova
Pubblicato in: Chemical Physics Letters, 660, 2016, Page(s) 107-110, ISSN 0009-2614
Editore: 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

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

The Monte Carlo technique as a tool to predict LOAEL

Autori: Jovana B. Veselinović, Aleksandar M. Veselinović, Alla P. Toropova, Andrey A. Toropov
Pubblicato in: European Journal of Medicinal Chemistry, 116, 2016, Page(s) 71-75, ISSN 0223-5234
Editore: 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 )

Autori: Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski
Pubblicato in: Ecotoxicology and Environmental Safety, 139, 2017, Page(s) 404-407, ISSN 0147-6513
Editore: 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

Autori: Alla P. Toropova, Andrey A. Toropov
Pubblicato in: Journal of Theoretical Biology, 416, 2017, Page(s) 113-118, ISSN 0022-5193
Editore: 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

Autori: P. Ganga Raju Achary, Sanija Begum, Alla P. Toropova, Andrey A. Toropov
Pubblicato in: Materials Discovery, 5, 2016, Page(s) 22-28, ISSN 2352-9245
Editore: Elsevier
DOI: 10.1016/j.md.2016.12.003

Development of Monte Carlo Approaches in Support of Environmental Research

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

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

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

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

Autori: Alla P. Toropova, P. Ganga Raju Achary, Andrey A. Toropov
Pubblicato in: Journal of Nanotoxicology and Nanomedicine, 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
Editore: IGI Publishing
DOI: 10.4018/JNN.2016010102

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

Autori: Alla P. Toropova, Andrey A. Toropov
Pubblicato in: Materials Discovery, 4, 2016, Page(s) 22-28, ISSN 2352-9245
Editore: Elsevier
DOI: 10.1016/j.md.2016.03.003