Books & Articles

252 entries « 1 of 17 »

2019

Kar, Supratik, Ghosh, Shinjita, Leszczynski, Jerzy

Is clay-polycation adsorbent future of the greener society? In silico modeling approach with comprehensive virtual screening (Journal Article)

Chemosphere, 220 , pp. 1108–1117, 2019, ISSN: 00456535.

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

Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential (Journal Article)

Molecular and Cellular Biochemistry, 452 (1-2), pp. 133–140, 2019, ISSN: 0300-8177.

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Roy, Juganta K., Kar, Supratik, Leszczynski, Jerzy

Electronic Structure and Optical Properties of Designed Photo-Efficient Indoline-Based Dye-Sensitizers with D–A−$pi$–A Framework (Journal Article)

The Journal of Physical Chemistry C, 123 (6), pp. 3309–3320, 2019, ISSN: 1932-7447.

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Sizochenko, Natalia, Kar, Supratik, Syzochenko, Michael, Leszczynski, Jerzy

Predicting Thermal Conductivity Enhancement of Al2O3/Water and CuO/Water Nanofluids Using Quantitative Structure-Property Relationship Approach (Journal Article)

International Journal of Quantitative Structure-Property Relationships, 4 (1), pp. 18–27, 2019, ISSN: 2379-7487.

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Kuz'min, Victor E, Ognichenko, Liudmila N, Sizochenko, Natalia, Chapkin, Valery A., Stelmakh, Sergii I., Shyrykalova, Angela O., Leszczynski, Jerzy

Combining Features of Metal Oxide Nanoparticles (Journal Article)

International Journal of Quantitative Structure-Property Relationships, 4 (1), pp. 28–40, 2019, ISSN: 2379-7487.

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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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Jean, Jephthe, Kar, Supratik, Leszczynski, Jerzy

QSAR modeling of adipose/blood partition coefficients of Alcohols, PCBs, PBDEs, PCDDs and PAHs: A data gap filling approach (Journal Article)

Environment International, 121 , pp. 1193–1203, 2018, ISSN: 01604120.

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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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Mirchi, Ali, Sizochenko, Natalia, Wang, Jing, Leszczynski, Jerzy

Catalytic abiotic synthesis of uracil from cysteine and urea: Theoretical studies (Journal Article)

Chemical Physics Letters, 710 , pp. 16–25, 2018, ISSN: 00092614.

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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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252 entries « 1 of 17 »