Books & Articles

245 entries « 3 of 17 »

2017

Yilmaz, Vedat, Yilmaz, Hayriye, Arslan, Zikri, Leszczynski, Jerzy

Novel Imprinted Polymer for the Preconcentration of Cadmium with Determination by Inductively Coupled Plasma Mass Spectrometry (Journal Article)

Analytical Letters, 50 (3), pp. 482–499, 2017, ISSN: 0003-2719.

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Watkins, Marquita, Sizochenko, Natalia, Moore, Quentarius, Golebiowski, Marek, Leszczynska, Danuta, Leszczynski, Jerzy

Chlorophenol sorption on multi-walled carbon nanotubes: DFT modeling and structure–property relationship analysis (Journal Article)

Journal of Molecular Modeling, 23 (2), pp. 39, 2017, ISSN: 1610-2940.

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Nhat, Pham Vu, Majumdar, Devashis, Leszczynski, Jerzy, Nguyen, Minh Tho

Structural Evolution, Vibrational Signatures and Energetics of Niobium Clusters from Nb2 to Nb20 (Incollection)

pp. 87–135, 2017.

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Sizochenko, Natalia, Syzochenko, Michael, Gajewicz, Agnieszka, Leszczynski, Jerzy, Puzyn, Tomasz

Predicting Physical Properties of Nanofluids by Computational Modeling (Journal Article)

The Journal of Physical Chemistry C, 121 (3), pp. 1910–1917, 2017, ISSN: 1932-7447.

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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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245 entries « 3 of 17 »