Books & Articles

226 entries « 3 of 16 »

2016

Anastasiia Golius, Leonid Gorb, Andrea Michalkova Scott, Frances C. Hill, Manoj Shukla, A. Benjamin Goins, David R. Johnson, Jerzy Leszczynski

Experimental and computational study of membrane affinity for selected energetic compounds (Journal Article)

Chemosphere, 148 , pp. 322–327, 2016, ISSN: 00456535.

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Supratik Kar, Agnieszka Gajewicz, Kunal Roy, Jerzy Leszczynski, Tomasz Puzyn

Extrapolating between toxicity endpoints of metal oxide nanoparticles: Predicting toxicity to Escherichia coli and human keratinocyte cell line (HaCaT) with Nano-QTTR (Journal Article)

Ecotoxicology and Environmental Safety, 126 , pp. 238–244, 2016, ISSN: 01476513.

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Sedat Karabulut, Devran Uysal, Jerzy Leszczynski

A new hybrid (experimental–theoretical) quantitative method for detection of relative anomer concentrations in water (Journal Article)

Structural Chemistry, 27 (2), pp. 449–455, 2016, ISSN: 1040-0400.

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Liudmyla K. Sviatenko, Leonid Gorb, Manoj K. Shukla, Jennifer M. Seiter, Danuta Leszczynska, Jerzy Leszczynski

Adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study (Journal Article)

Chemosphere, 148 , pp. 294–299, 2016, ISSN: 00456535.

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Natalia Sizochenko, Victor Kuz'min, Liudmila Ognichenko, Jerzy Leszczynski

Introduction of simplex-informational descriptors for QSPR analysis of fullerene derivatives (Journal Article)

Journal of Mathematical Chemistry, 54 (3), pp. 698–706, 2016, ISSN: 0259-9791.

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Jing Wang, Jiande Gu, Md. Hossain, Jerzy Leszczynski

Theoretical Studies on Hydrogen Bonds in Anions Encapsulated by an Azamacrocyclic Receptor (Journal Article)

Crystals, 6 (3), pp. 31, 2016, ISSN: 2073-4352.

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Marquita Watkins, Natalia Sizochenko, Bakhtiyor Rasulev, Jerzy Leszczynski

Estimation of melting points of large set of persistent organic pollutants utilizing QSPR approach (Journal Article)

Journal of Molecular Modeling, 22 (3), pp. 55, 2016, ISSN: 1610-2940.

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G. M. Kuramshina, O. A. Vakula, N. I. Vakula, A. G. Majouga, V. M. Senyavin, Leonid G. Gorb, Jerzy Leszczynski

Conformations, vibrational spectra and force field of 1-methyl-2-(2′-pyridyl)benzimidazole: experimental data and density functional theory investigation in comparison with 2-(2′-pyridyl)benzimidazole (Journal Article)

Structural Chemistry, 27 (1), pp. 209–219, 2016, ISSN: 1040-0400.

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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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226 entries « 3 of 16 »