Search Results - "PUZYN, T."

Global versus local QSAR models for predicting ionic liquids toxicity against IPC-81 leukemia rat cell line: The predictive ability by Sosnowska, A., Grzonkowska, M., Puzyn, T.

“…The unlimited possibility of modifying the structure of the cation and anion of a given ionic liquid (IL) delivers a countless number of potential derivatives…”
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An ancestral molecular response to nanomaterial particulates by del Giudice, G., Serra, A., Saarimäki, L. A., Kotsis, K., Rouse, I., Colibaba, S. A., Jagiello, K., Mikolajczyk, A., Fratello, M., Papadiamantis, A. G., Sanabria, N., Annala, M. E., Morikka, J., Kinaret, P. A. S., Voyiatzis, E., Melagraki, G., Afantitis, A., Tämm, K., Puzyn, T., Gulumian, M., Lobaskin, V., Lynch, I., Federico, A., Greco, D.

“…The varied transcriptomic response to nanoparticles has hampered the understanding of the mechanism of action. Here, by performing a meta-analysis of a large…”
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Rapid insight into C60 influence on biological functions of proteins by Giełdoń, A., Witt, M. M., Gajewicz, A., Puzyn, T.

“…Experimental methods of investigations of nanoparticle (NP)–protein interactions are limited, because they require a high amount of samples and the NPs tend to…”
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Using the Isalos platform to develop a (Q)SAR model that predicts metal oxide toxicity utilizing facet-based electronic, image analysis-based, and periodic table derived properties as descriptors by Thwala, M. M., Afantitis, A., Papadiamantis, A. G., Tsoumanis, A., Melagraki, G., Dlamini, L. N., Ouma, C. N. M., Ramasami, P., Harris, R., Puzyn, T., Sanabria, N., Lynch, I., Gulumian, M.

“…Engineered nanoparticles (NPs) are being studied for their potential to harm humans and the environment. Biological activity, toxicity, physicochemical…”
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OS02-05 In silico NAMs for nanoforms: how far we are? by Puzyn, T.

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Evaluation criteria for the quality of published experimental data on nanomaterials and their usefulness for QSAR modelling by Lubinski, L., Urbaszek, P., Gajewicz, A., Cronin, M.T.D., Enoch, S.J., Madden, J.C., Leszczynska, D., Leszczynski, J., Puzyn, T.

“…Nowadays nanotechnology is one of the most promising areas of science. The number and quantity of synthesized nanomaterials increase exponentially, therefore…”
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Chemometric analysis of correlations between electronic absorption characteristics and structural and/or physicochemical parameters for ampholytic substances of biological and pharmaceutical relevance by Judycka-Proma, U., Bober, L., Gajewicz, A., Puzyn, T., Błażejowski, J.

“…Data for the compounds: UV–Vis/predicted→chemometric analysis→correlations. [Display omitted] •Spectral versus physicochemical parameters for ampholytic…”
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Estimating persistence of brominated and chlorinated organic pollutants in air, water, soil, and sediments with the QSPR-based classification scheme by Puzyn, T, Haranczyk, M, Suzuki, N, Sakurai, T

“…We have estimated degradation half-lives of both brominated and chlorinated dibenzo-p-dioxins (PBDDs and PCDDs), furans (PBDFs and PCDFs), biphenyls (PBBs and…”
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Reliability of environmental fate modeling results for POPs based on various methods of determining the air/water partition coefficient (log KAW) by Odziomek, K., Gajewicz, A., Haranczyk, M., Puzyn, T.

“…Air–water partition coefficient (KAW) is one of the key parameters determining environmental behavior of Persistent Organic Pollutants (POPs). Experimentally…”
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Octanol/Water Partition Coefficients of Chloronaphthalenes by PUZYN, T., FALANDYSZ, J.

“…Computational n-octanol/water partition coefficients data for 75 chloronaphthalene congeners based on the Ghose, Pritchet, and Crippen algorithm; the Moriguchi…”
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Application and comparison of different chemometric approaches in QSPR modelling of supercooled liquid vapour pressures for chloronaphthalenes by Puzyn, T., Falandysz, J.

“…Molecular descriptors from calculations at the level of Density Functional Theory (B3LYP/6-311++G**) were effectively applied in QSPR estimation of supercooled…”
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Concentrations of mercury in wild growing higher fungi and underlying substrate near Lake Wdzydze, Poland by FALANDYSZ, J, BRZOSTOWSKI, A, KAWANO, M, KANNAN, K, PUZYN, T, LIPKA, K

“…Fourteen species of wild growing mushrooms and surface (0-10 cm) soils were collected near Lake Wdzydze in the northern part of Poland in 1996-1997 to…”
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Computational Prediction of 7-Ethoxyresorufin-O-Diethylase (EROD) and Luciferase (luc) Inducing Potency for 75 Congeners of Chloronaphthalene by Falandysz, J., Puzyn, T.

“…Based on available toxicological data and matrix of structural descriptors 7-ethoxyresorufin-O-diethylase (EROD) and luciferase (luc) inducing potency for 75…”
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Achievements and perspectives of computational nanotoxicology by Puzyn, T.

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Concentrations and Fluxes of Chloronaphthalenes in Sediment from Lake Kitaura in Japan in Past 15 Centuries by Horii, Y., Falandysz, J., Hanari, N., Rostkowski, P., Puzyn, T., Okada, M., Amano, K., Naya, T., Taniyasu, S., Yamashita, N.

“…The concentrations of 63 congeners of chloronaphthalene (CN; polychlorinated naphthalenes, PCNs) in dated on ˜500 B.C. to 2000 sediment core from the Lake…”
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Polychlorinated biphenyls (PCBs) and their congener-specific accumulation in edible fish from the Gulf of Gdańsk, Baltic Sea by Falandysz, J, Wyrzykowska, B, Puzyn, T, Strandberg, L, Rappe, C

“…Concentrations and composition profiles of polychlorinated biphenyls (PCBs) were investigated in composite samples of 10 species of edible fish from the Gulf…”
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P05-07 Physicochemical properties and transcriptomic pathways analysis of TiO2 nanoparticles exposure through computer-aided approaches to provide a new öook at their pulmonary safety by Jagiello, K., Ciura, K., Halappanavar, S., Vogel, U., WIlliams, A., Puzyn, T.

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P19-83 Employing QSAR modeling for regulatory assessment of TiO2 nanoparticle safety by Wyrzykowska, E., Stępnik, M., Nimz, K., Wojciechowska, A., Balicki, M., Puzyn, T.

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Application of QSAR modeling to predict the toxicity of nanomaterials - principles of obtaining reliable and valuable results by Wyrzykowska, E., Mikolajczyk, A., Gromelski, M., Puzyn, T.

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P06-02: Virtual screening of PFAS and their binding affinity to nuclear receptors – a structure-based approach by Sosnowska, A., Kowalska, D., Bulawska, N., Stepnik, M., Besselink, H., Behnisch, P., Puzyn, T.

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