Books & Articles

226 entries « 2 of 16 »

2017

Gajewicz, A., Jagiello, K., Cronin, M. T. D., Leszczynski, J., Puzyn, T.

Addressing a bottle neck for regulation of nanomaterials: quantitative read-across (Nano-QRA) algorithm for cases when only limited data is available (Journal Article)

Environ. Sci.: Nano, 4 (2), pp. 346–358, 2017, ISSN: 2051-8153.

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Toropova, A.P., Toropov, A.A., Veselinović, A.M., Veselinović, J.B., Leszczynska, D., Leszczynski, J.

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

Multi-Scale Approaches in Drug Discovery, pp. 191–221, Elsevier, 2017.

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Kar, Supratik, Roy, Kunal, Leszczynski, Jerzy

On Applications of QSARs in Food and Agricultural Sciences: History and Critical Review of Recent Developments (Incollection)

pp. 203–302, 2017.

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Ahmed, Lucky, Rasulev, Bakhtiyor, Kar, Supratik, Krupa, Paweł, Mozolewska, Magdalena A., Leszczynski, Jerzy

Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose (Journal Article)

Nanoscale, 9 (29), pp. 10263–10276, 2017, ISSN: 2040-3364.

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Natalia Sizochenko, Danuta Leszczynska, Jerzy Leszczynski

Modeling of Interactions between the Zebrafish Hatching Enzyme ZHE1 and A Series of Metal Oxide Nanoparticles: Nano-QSAR and Causal Analysis of Inactivation Mechanisms (Journal Article)

Nanomaterials, 7 (10), pp. 330, 2017, ISSN: 2079-4991.

(Links | BibTeX | Tags: causality, liquid drop model, Metal oxide nanoparticles, molecular descriptors, QSAR, regression tree, Toxicity, zebrafish)

Natalia Sizochenko, Jerzy Leszczynski

Drug-Nanoparticle Composites (Journal Article)

Journal of Nanotoxicology and Nanomedicine, 2 (1), pp. 1–10, 2017, ISSN: 2379-7452.

(Links | BibTeX | Tags: classifie, descriptors, drug delivery, drug-polymer interactions, molecular docking, plga)

Alicja Mikolajczyk, Natalia Sizochenko, Ewa Mulkiewicz, Anna Malankowska, Michal Nischk, Przemyslaw Jurczak, Seishiro Hirano, Grzegorz Nowaczyk, Adriana Zaleska-Medynska, Jerzy Leszczynski, , Agnieszka Gajewicz, Tomasz Puzyn

Evaluating the toxicity of TiO2-based nanoparticles to Chinese hamster ovary cells and Escherichia coli: a complementary experimental and computational approach (Journal Article)

Nanomaterials, accepted , pp. 2171–2180, 2017, ISSN: 2190-4286.

(Links | BibTeX | Tags: 2017, 2171, 2180, 8, au, beilstein j, bimetallic nanoparticles, Nano-QSAR, nanotechnol, nanotoxicity, pd, second-generation nanoparticles, tio 2 photocatalyst)

A. Gooch, N. Sizochenko, L. Sviatenko, L. Gorb, J. Leszczynski

A quantum chemical based toxicity study of estimated reduction potential and hydrophobicity in series of nitroaromatic compounds (Journal Article)

SAR and QSAR in Environmental Research, 28 (2), pp. 133–150, 2017, ISSN: 1029046X.

(Abstract | Links | BibTeX | Tags: hydrophobicity, LUMO energy, nitroaromatic, QSAR, reduction potential, Toxicity)

Ali Mirchi, Natalia Sizochenko, Tandabany C. Dinadayalane, Jerzy Leszczynski

Binding of alkali metal ions with 1,3,5- Tri(phenyl)benzene and 1,3,5-Tris(naphthyl)benzene: The effect of phenyl and naphthyl rings substitution on cation-$pi$ interactions revealed by DFT study (Journal Article)

(Submitted for publication), 2017.

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Ali Mirchi, Natalia Sizochenko, Jerzy Leszczynski

Fullerene quinazolinone conjugates targeting Mycobacterium tuberculosis: A combination of molecular docking, QSAR and ONIOM approaches (Journal Article)

(Submitted for publication), 2017.

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2016

Supratik Kar, Natalia Sizochenko, Lucky Ahmed, Victor S. Batista, Jerzy Leszczynski

Quantitative structure-property relationship model leading to virtual screening of fullerene derivatives: Exploring structural attributes critical for photoconversion efficiency of polymer solar cell acceptors (Journal Article)

Nano Energy, 26 , pp. 677–691, 2016, ISSN: 22112855.

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Wojciech Kolodziejczyk, Supratik Kar, Glake A. Hill, Jerzy Leszczynski

A comprehensive computational analysis of cathinone and its metabolites using quantum mechanical approaches and docking studies (Journal Article)

Structural Chemistry, 27 (4), pp. 1291–1302, 2016, ISSN: 1040-0400.

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Alla P. Toropova, Andrey A. Toropov, Aleksandar M. Veselinović, Jovana B. Veselinović, Danuta Leszczynska, Jerzy Leszczynski

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

Environmental Toxicology and Chemistry, 2016, ISSN: 07307268.

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Supratik Kar, Rudra Narayan Das, Kunal Roy, Jerzy Leszczynski

Can Toxicity for Different Species be Correlated? (Journal Article)

International Journal of Quantitative Structure-Property Relationships, 1 (2), pp. 23–51, 2016, ISSN: 2379-7487.

(Abstract | Links | BibTeX | Tags: Extrapolation, i-QSTR, Interspecies Correlation, Mode of Action, QSAR, REACH, Toxicity, US EPA)

Hayriye Yilmaz, Lucky Ahmed, Bakhtiyor Rasulev, Jerzy Leszczynski

Application of ligand- and receptor-based approaches for prediction of the HIV-RT inhibitory activity of fullerene derivatives (Journal Article)

Journal of Nanoparticle Research, 18 (5), pp. 123, 2016, ISSN: 1388-0764.

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226 entries « 2 of 16 »