Books & Articles

217 entries « 3 of 15 »

2016

Oleg V. Tinkov, Luidmila N. Ognichenko, Victor E. Kuz'min, Leonid G. Gorb, Anna P. Kosinskaya, Nail N. Muratov, Eugene N. Muratov, Frances C. Hill, Jerzy Leszczynski

Computational assessment of environmental hazards of nitroaromatic compounds: influence of the type and position of aromatic ring substituents on toxicity (Journal Article)

Structural Chemistry, 27 (1), pp. 191–198, 2016, ISSN: 1040-0400.

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

Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions (Journal Article)

Ecotoxicology and Environmental Safety, 124 , pp. 32–36, 2016, ISSN: 01476513.

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Irina V. Omelchenko, Oleg V. Shishkin, Leonid Gorb, Jerzy Leszczynski

Aromaticity and conformational flexibility of five-membered monoheterocycles: pyrrole-like and thiophene-like structures (Journal Article)

Structural Chemistry, 27 (1), pp. 101–109, 2016, ISSN: 1040-0400.

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Y. Li W. Zhang G. Lü X. Hwang H. Aker W.G. Guan H. Wang P. Li

Purification and characterization of polysaccharides degradases produced by Alteromonas sp. A321 (Journal Article)

International Journal of Biological Macromolecules, 86 , pp. 96-104, 2016.

(Abstract | Links | BibTeX | Tags: bacterial enzyme; polysaccharide degradase; rhamnose; unclassified drug)

L. Li Y. Chi Y. Ji Y. Gao Y. Hwang H. Aker W.G. Wang P. Qiao

Rheological properties, gelling behavior and texture characteristics of polysaccharide from Enteromorpha prolifera (Journal Article)

Carbohydrate Polymers, 136 , pp. 1307-1314, 2016.

(Abstract | Links | BibTeX | Tags: Algae, chemistry; flow kinetics; gel; pH; temperature; Ulva; viscosity, Enteromorpha prolifera; FTIR spectroscopy; Heteropolysaccharide; Linear viscoelastic regions; Physicochemical property; Rheological property; Texture analysis; Texture characteristics, gel; polysaccharide, Gelation; Rheology, Gels; Hydrogen-Ion Concentration; Polysaccharides; Rheology; Temperature; Ulva; Viscosity)

X. Aker W.G. Pelaez M. Lin Y. Dionysiou D.D. Hwang H.-M. He

Assessment of nitrogen-fluorine-codoped TiO<inf>2</inf> under visible light for degradation of BPA: Implication for field remediation (Journal Article)

Journal of Photochemistry and Photobiology A: Chemistry, 314 , pp. 81-92, 2016.

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Dinadayalane, Tandabany C., Leszczynski, Jerzy

Fundamental Structural, Electronic, and Chemical Properties of Carbon Nanostructures: Graphene, Fullerenes, Carbon Nanotubes, and Their Derivatives (Incollection)

Handbook of Computational Chemistry, pp. 1–84, Springer Netherlands, Dordrecht, 2016.

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Šponer, Jiří, Shukla, Manoj K., Wang, Jing, Leszczynski, Jerzy

Computational Modeling of DNA and RNA Fragments (Incollection)

Handbook of Computational Chemistry, pp. 1–24, Springer Netherlands, Dordrecht, 2016.

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Sizochenko, Natalia, Majumdar, D., Roszak, Szczepan, Leszczynski, Jerzy

Application of Quantum Mechanics and Molecular Mechanics in Chemoinformatics (Incollection)

Handbook of Computational Chemistry, pp. 1–23, Springer Netherlands, Dordrecht, 2016.

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Tandabany C. Dinadayalane, Jerzy Leszczynski

Chapter: Hydrogenated Graphene: Preparation, Properties, and Applications (Incollection)

Aliofkhazraei, In; Ali,; Milne,; Ozkan,; Mitura,; Gervasoni, Juana (Ed.): Graphene Science Handbook: Fabrication Methods, pp. 431–450, CRC Press (Taylor & Francis Group), Boca Raton, 2016.

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Jiande Gu, Jing Wang, Jerzy Leszczynski

Electron interaction with a DNA duplex: dCpdC:dGpdG (Journal Article)

Phys. Chem. Chem. Phys., 18 (19), pp. 13657–13665, 2016, ISSN: 1463-9076.

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Natalia Sizochenko, Agnieszka Gajewicz, Jerzy Leszczynski, Tomasz Puzyn

Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models (Journal Article)

Nanoscale, 8 (13), pp. 7203–7208, 2016, ISSN: 2040-3364.

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Natalia Sizochenko, Jerzy Leszczynski

Review of Current and Emerging Approaches for Quantitative Nanostructure-Activity Relationship Modeling (Journal Article)

Journal of Nanotoxicology and Nanomedicine, 1 (1), pp. 1–16, 2016, ISSN: 2379-7452.

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

Development of the Latest Tools for Building up “Nano-QSAR”: Quantitative Features—Property/Activity Relationships (QFPRs/QFARs) (Incollection)

Practical Aspects of Computational Chemistry IV, pp. 353–396, Springer US, Boston, MA, 2016.

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A.P. Toropova, A.A. Toropov, R. Rallo, D. Leszczynska, J., Leszczynski

Nano-QSAR: Genotoxicity of Multi-Walled Carbon Nanotubes (Journal Article)

Int. J. Environ. Res., 10 (1), pp. 59–64, 2016.

(Abstract | BibTeX | Tags: Bacterial reverse mutation test, CORAL software, MWCNT, Nano-QSAR)

217 entries « 3 of 15 »