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. (Links | BibTeX | Tags: ) @article{Roy2018,
title = {Insight into the optoelectronic properties of designed solar cells efficient tetrahydroquinoline dye-sensitizers on TiO2(101) surface: first principles approach},
author = { Juganta K. Roy and Supratik Kar and Jerzy Leszczynski},
url = {http://www.nature.com/articles/s41598-018-29368-9},
doi = {10.1038/s41598-018-29368-9},
issn = {2045-2322},
year = {2018},
date = {2018-12-01},
journal = {Scientific Reports},
volume = {8},
number = {1},
pages = {10997},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Kar2018,
title = {Single or mixture halogenated chemicals? Risk assessment and developmental toxicity prediction on zebrafish embryos based on weighted descriptors approach},
author = { Supratik Kar and Shinjita Ghosh and Jerzy Leszczynski},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0045653518313092},
doi = {10.1016/j.chemosphere.2018.07.051},
issn = {00456535},
year = {2018},
date = {2018-11-01},
journal = {Chemosphere},
volume = {210},
pages = {588--596},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Chatterjee2018,
title = {Ultrasound cavitation intensified amine functionalization: A feasible strategy for enhancing CO 2 capture capacity of biochar},
author = { Riya Chatterjee and Baharak Sajjadi and Daniell L. Mattern and Wei-Yin Chen and Tetiana Zubatiuk and Danuta Leszczynska and Jerzy Leszczynski and Nosa O. Egiebor and Nathan Hammer},
url = {http://linkinghub.elsevier.com/retrieve/pii/S0016236118305532 http://link.springer.com/10.1007/978-1-4939-7899-1_19},
doi = {10.1016/j.fuel.2018.03.145},
issn = {00162361},
year = {2018},
date = {2018-08-01},
journal = {Fuel},
volume = {225},
pages = {287--298},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Zubatiuk2018,
title = {Insight into mechanism of iron-oxides reduction in atmospheres of CH 4 and CO},
author = { Tetiana Zubatiuk and Glake Hill and Danuta Leszczynska and Maohong Fan and Asif H. Rony and Jerzy Leszczynski},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0009261418305724},
doi = {10.1016/j.cplett.2018.07.027},
issn = {00092614},
year = {2018},
date = {2018-08-01},
journal = {Chemical Physics Letters},
volume = {706},
pages = {708--714},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Toropova2018,
title = {Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES},
author = { Alla P. Toropova and Andrey A. Toropov and Emilio Benfenati and Danuta Leszczynska and Jerzy Leszczynski},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0303264718300960},
doi = {10.1016/j.biosystems.2018.05.003},
issn = {03032647},
year = {2018},
date = {2018-07-01},
journal = {Biosystems},
volume = {169-170},
pages = {5--12},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Mirchi2018,
title = {Fullerene quinazolinone conjugates targeting Mycobacterium tuberculosis: a combined molecular docking, QSAR, and ONIOM approach},
author = { Ali Mirchi and Natalia Sizochenko and Jerzy Leszczynski},
url = {http://link.springer.com/10.1007/s11224-018-1100-x},
doi = {10.1007/s11224-018-1100-x},
issn = {1040-0400},
year = {2018},
date = {2018-06-01},
journal = {Structural Chemistry},
volume = {29},
number = {3},
pages = {765--775},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Golbamaki2018,
title = {Genotoxicity induced by metal oxide nanoparticles: a weight of evidence study and effect of particle surface and electronic properties},
author = { Azadi Golbamaki and Nazanin Golbamaki and Natalia Sizochenko and Bakhtiyor Rasulev and Jerzy Leszczynski and Emilio Benfenati},
url = {https://www.tandfonline.com/doi/full/10.1080/17435390.2018.1478999},
doi = {10.1080/17435390.2018.1478999},
issn = {1743-5390},
year = {2018},
date = {2018-06-01},
journal = {Nanotoxicology},
pages = {1--17},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{C.P.2018,
title = {Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition},
author = { Anju C.P. and Sunitha Subhramanian and Natalia Sizochenko and Anu R. Melge and Jerzy Leszczynski and C. Gopi Mohan},
url = {https://www.tandfonline.com/doi/full/10.1080/07391102.2018.1462731},
doi = {10.1080/07391102.2018.1462731},
issn = {0739-1102},
year = {2018},
date = {2018-05-01},
journal = {Journal of Biomolecular Structure and Dynamics},
pages = {1--15},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Toropov2018,
title = {Towards the Development of Global Nano-Quantitative Structure{\textendash}Property Relationship Models: Zeta Potentials of Metal Oxide Nanoparticles},
author = { Andrey Toropov and Natalia Sizochenko and Alla Toropova and Jerzy Leszczynski},
url = {http://www.mdpi.com/2079-4991/8/4/243},
doi = {10.3390/nano8040243},
issn = {2079-4991},
year = {2018},
date = {2018-04-01},
journal = {Nanomaterials},
volume = {8},
number = {4},
pages = {243},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Kapusta2018,
title = {QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors},
author = { Karina Kapusta and Natalia Sizochenko and Sedat Karabulut and Sergiy Okovytyy and Eugene Voronkov and Jerzy Leszczynski},
url = {http://link.springer.com/10.1007/s00894-018-3593-z},
doi = {10.1007/s00894-018-3593-z},
issn = {1610-2940},
year = {2018},
date = {2018-03-01},
journal = {Journal of Molecular Modeling},
volume = {24},
number = {3},
pages = {59},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Khan2018,
title = {Interactions of Substituted Nitroaromatics with Model Graphene Systems: Applicability of Hammett Substituent Constants To Predict Binding Energies},
author = { Mehedi H. Khan and Danuta Leszczynska and D. Majumdar and Szczepan Roszak and Jerzy Leszczynski},
url = {http://pubs.acs.org/doi/10.1021/acsomega.7b01912},
doi = {10.1021/acsomega.7b01912},
issn = {2470-1343},
year = {2018},
date = {2018-03-01},
journal = {ACS Omega},
volume = {3},
number = {3},
pages = {2773--2785},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Ivashchenko2018,
title = {Electronic, thermodynamics and mechanical properties of LaB 6 from first-principles},
author = { V.I. Ivashchenko and P.E.A. Turchi and V.I. Shevchenko and N.R. Medukh and Jerzy Leszczynski and Leonid Gorb},
url = {http://linkinghub.elsevier.com/retrieve/pii/S0921452617310372},
doi = {10.1016/j.physb.2017.12.044},
issn = {09214526},
year = {2018},
date = {2018-02-01},
journal = {Physica B: Condensed Matter},
volume = {531},
pages = {216--222},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Links | BibTeX | Tags: ) @article{Gu2018,
title = {Structure and Energetics of (111) Surface of $gamma$-Al 2 O 3 : Insights from DFT Including Periodic Boundary Approach},
author = { Jiande Gu and Jing Wang and Jerzy Leszczynski},
url = {http://pubs.acs.org/doi/10.1021/acsomega.7b01921},
doi = {10.1021/acsomega.7b01921},
issn = {2470-1343},
year = {2018},
date = {2018-02-01},
journal = {ACS Omega},
volume = {3},
number = {2},
pages = {1881--1888},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| 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. (Abstract | Links | BibTeX | Tags: ) @article{Sizochenko2018,
title = {How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach},
author = { Natalia Sizochenko and Alicja Mikolajczyk and Karolina Jagiello and Tomasz Puzyn and Jerzy Leszczynski and Bakhtiyor Rasulev},
url = {http://xlink.rsc.org/?DOI=C7NR05618D},
doi = {10.1039/C7NR05618D},
issn = {2040-3364},
year = {2018},
date = {2018-01-01},
journal = {Nanoscale},
volume = {10},
number = {2},
pages = {582--591},
abstract = {Identification of hidden patterns for nanoparticle toxicity against different species could be used for the safe-by-design approach.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Identification of hidden patterns for nanoparticle toxicity against different species could be used for the safe-by-design approach. |
| 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. (BibTeX | Tags: ) @inbook{Sizochenko2018a,
title = {Chapter: In Silico Methods for Nanotoxicity Evaluation: Opportunities and Challenges},
author = { Natalia Sizochenko and Alicja Mikolajczyk and Jerzy Leszczynski and Tomasz Puzyn},
editor = {Vineet Kumar and Dasgupta, Nandita and Ranjan, Shivendu},
isbn = {9781498799416},
year = {2018},
date = {2018-01-01},
booktitle = {Nanotoxicology: Toxicity Evaluation, Risk Assessment and Management},
pages = {527--557},
publisher = {CRC Press Taylor & Francis Group},
keywords = {},
pubstate = {published},
tppubtype = {inbook}
}
|
