Books & Articles

245 entries « 1 of 17 »

2018

Juganta K. Roy, Supratik Kar, Jerzy Leszczynski

Insight into the optoelectronic properties of designed solar cells efficient tetrahydroquinoline dye-sensitizers on TiO2(101) surface: first principles approach (Journal Article)

Scientific Reports, 8 (1), pp. 10997, 2018, ISSN: 2045-2322.

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Supratik Kar, Shinjita Ghosh, Jerzy Leszczynski

Single or mixture halogenated chemicals? Risk assessment and developmental toxicity prediction on zebrafish embryos based on weighted descriptors approach (Journal Article)

Chemosphere, 210 , pp. 588–596, 2018, ISSN: 00456535.

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Riya Chatterjee, Baharak Sajjadi, Daniell L. Mattern, Wei-Yin Chen, Tetiana Zubatiuk, Danuta Leszczynska, Jerzy Leszczynski, Nosa O. Egiebor, Nathan Hammer

Ultrasound cavitation intensified amine functionalization: A feasible strategy for enhancing CO 2 capture capacity of biochar (Journal Article)

Fuel, 225 , pp. 287–298, 2018, ISSN: 00162361.

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Tetiana Zubatiuk, Glake Hill, Danuta Leszczynska, Maohong Fan, Asif H. Rony, Jerzy Leszczynski

Insight into mechanism of iron-oxides reduction in atmospheres of CH 4 and CO (Journal Article)

Chemical Physics Letters, 706 , pp. 708–714, 2018, ISSN: 00092614.

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Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski

Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES (Journal Article)

Biosystems, 169-170 , pp. 5–12, 2018, ISSN: 03032647.

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Ali Mirchi, Natalia Sizochenko, Jerzy Leszczynski

Fullerene quinazolinone conjugates targeting Mycobacterium tuberculosis: a combined molecular docking, QSAR, and ONIOM approach (Journal Article)

Structural Chemistry, 29 (3), pp. 765–775, 2018, ISSN: 1040-0400.

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Azadi Golbamaki, Nazanin Golbamaki, Natalia Sizochenko, Bakhtiyor Rasulev, Jerzy Leszczynski, Emilio Benfenati

Genotoxicity induced by metal oxide nanoparticles: a weight of evidence study and effect of particle surface and electronic properties (Journal Article)

Nanotoxicology, pp. 1–17, 2018, ISSN: 1743-5390.

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Anju C.P., Sunitha Subhramanian, Natalia Sizochenko, Anu R. Melge, Jerzy Leszczynski, C. Gopi Mohan

Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition (Journal Article)

Journal of Biomolecular Structure and Dynamics, pp. 1–15, 2018, ISSN: 0739-1102.

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Andrey Toropov, Natalia Sizochenko, Alla Toropova, Jerzy Leszczynski

Towards the Development of Global Nano-Quantitative Structure–Property Relationship Models: Zeta Potentials of Metal Oxide Nanoparticles (Journal Article)

Nanomaterials, 8 (4), pp. 243, 2018, ISSN: 2079-4991.

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Karina Kapusta, Natalia Sizochenko, Sedat Karabulut, Sergiy Okovytyy, Eugene Voronkov, Jerzy Leszczynski

QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors (Journal Article)

Journal of Molecular Modeling, 24 (3), pp. 59, 2018, ISSN: 1610-2940.

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Mehedi H. Khan, Danuta Leszczynska, D. Majumdar, Szczepan Roszak, Jerzy Leszczynski

Interactions of Substituted Nitroaromatics with Model Graphene Systems: Applicability of Hammett Substituent Constants To Predict Binding Energies (Journal Article)

ACS Omega, 3 (3), pp. 2773–2785, 2018, ISSN: 2470-1343.

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V.I. Ivashchenko, P.E.A. Turchi, V.I. Shevchenko, N.R. Medukh, Jerzy Leszczynski, Leonid Gorb

Electronic, thermodynamics and mechanical properties of LaB 6 from first-principles (Journal Article)

Physica B: Condensed Matter, 531 , pp. 216–222, 2018, ISSN: 09214526.

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Jiande Gu, Jing Wang, Jerzy Leszczynski

Structure and Energetics of (111) Surface of $gamma$-Al 2 O 3 : Insights from DFT Including Periodic Boundary Approach (Journal Article)

ACS Omega, 3 (2), pp. 1881–1888, 2018, ISSN: 2470-1343.

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Natalia Sizochenko, Alicja Mikolajczyk, Karolina Jagiello, Tomasz Puzyn, Jerzy Leszczynski, Bakhtiyor Rasulev

How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach (Journal Article)

Nanoscale, 10 (2), pp. 582–591, 2018, ISSN: 2040-3364.

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Natalia Sizochenko, Alicja Mikolajczyk, Jerzy Leszczynski, Tomasz Puzyn

Chapter: In Silico Methods for Nanotoxicity Evaluation: Opportunities and Challenges (Book Chapter)

Kumar, Vineet; Dasgupta, Nandita; Ranjan, Shivendu (Ed.): Nanotoxicology: Toxicity Evaluation, Risk Assessment and Management, pp. 527–557, CRC Press Taylor & Francis Group, 2018, ISBN: 9781498799416.

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245 entries « 1 of 17 »