Conference Proceedings

Conferences 2023

INVITED LECTURES:

  • Tomasz Puzyn (2023): “Safe and Sustainable by Design (SSbD) – a vital challenge for nanoinformatics”, Nanotexnology 2023, 1-8 July 2023, Thessaloniki, Greece
  • Tomasz Puzyn(2023): „Towards integrating molecular modeling and machine learning methods for designing brain drug delivery nanocarriers”, ChinaNanomedicine 2023, The 5th International Conference on Nanomedicine, 4-7 November 2023, Guangzhou, China
  • Krzesimir Ciura, Tomasz Puzyn (2023): „The first step for predicting liposome encapsulation effectiveness – understanding the nature of the interaction between small molecules and phospholipids at the molecular level", ChinaNanomedicine 2023, The 5th International Conference on Nanomedicine, 4-7 November 2023, Guangzhou, China

ORAL PRESENTATIONS:

  • Michał Kałapus, Tomasz Puzyn (2023): “Unlocking the solubility secret of nanoparticles through nano-QSPR models. SPSAS NanoAgri&Enviro” – Sao Paulo School of Advanced Science on Nanotechnology, Agriculture and Environment, 3-15 July 2023, Campinas, SP – Brazil

POSTER PRESENTATIONS:

  • Tomasz Puzyn (2023): „In silico NAMs for nanomaterials: Where have you been, where are you going to?”, 12thWorld Congress on Alternatives and Animal Use in the Life Sciences WC12, 27-31 August 2023,  Niagara Falls, Canada
  • Karolina Jagiełło, Anita Sosnowska, Maciej Gromelski, Maciej Stępnik and Tomasz Puzyn (2023): „Web-based application for gathering knowledge about nano-specific NAMs in human safety assessment”, 12thWorld Congress on Alternatives and Animal Use in the Life Sciences WC12, 27-31 August 2023,  Niagara Falls, Canada
  • Selvaraj Sengottiyan, Alicja Mikołajczyk, Karolina Jagiełło, Marta Swirog, Tomasz Puzyn (2023): „Core, coating, or corona? The importance of considering protein coronas in nano-QSPR modeling of zeta potential”, ChinaNanomedicine 2023, The 5th International Conference on Nanomedicine, 4-7 November 2023, Guangzhou, China (Best Poster Award)
  • Kamila Jarzyńska, Agnieszka Gajewicz-Skrętna, Krzesimir Ciura, Tomasz Puzyn (2023): “How does the structure of the liposome affect its zeta potential? Towards effective prediction of liposomes’ physicochemical properties using nano-QSPR", ChinaNanomedicine 2023, The 5th International Conference on Nanomedicine, 4-7 November 2023, Guangzhou, China
  • Michał Kałapus, Tomasz Puzyn: (2023): “The nano-QSPR model for classifying ENM solubility in the natural aquatic environment”. SPSAS NanoAgri&Enviro – Sao Paulo School of Advanced Science on Nanotechnology, Agriculture and Environment, 3-15 July 2023, Campinas, SP – Brazil.
Conferences 2022

INVITED LECTURES:

  • Tomasz Puzyn: "Nanoinformatics in EHS assessment: Advances and challenges". NanoKorea, Seul, 6-8.07.2022 (invited lecture)

  • Agnieszka Gajewicz-Skretna: "Towards novel chemoinformatic tools for the safety assessment of nanomaterials". Beilstein Nanotechnology Symposium "Nanoinformatics: Spanning Scales, Systems and Solutions", 11-13.10.2022, Rüdesheim, Germany (invited lecture)

  • Tomasz Puzyn: "How to represent nanoparticles structure in data-based predicting models?" Beilstein Nanotechnology Symposium "Nanoinformatics: Spanning Scales, Systems and Solutions", 11-13.10.2022, Rüdesheim, Germany (invited lecture)

ORAL PRESENTATIONS:

  • Tomasz Puzyn, Ewelina Wyrzykowska, Marta Swirog, Selvaraj Sengottiyan, Anna Rybińska-Fryca, Alicja Mikołajczyk: "System-dependent QSAR modeling for nanoparticles. “Nano-week”& NanoCommons Final Conference, 20-24.06.2022, Limassol, Cyprus (oral presentation)

  • Tomasz Puzyn, Sosnowska Anita, Mikołajczyk Alicja, Wyrzykowska Ewelina, Gajewicz-Skrętna Agnieszka, Jagiełło Karolina: "Chemioinformatics for materials safe-by-design. Modeling and Design of Molecular Materials", Gdańsk, 19-22.09.2022 (oral presentation)

POSTER PRESENTATIONS:

  • Agnieszka Gajewicz-Skretna, Magdalena Piotrowska, Maciej Gromelski, Ewelina Wyrzykowska: "Read-across for the chemical safety assessment: Possible approaches, challenges and perspectives". Society of Environmental Toxicology and Chemistry (SETAC) Europe 32nd Annual Meeting. 15-19.05.2022, Copenhagen, Denmark (poster presentation)

  • Marta Swirog: "Machine learning for health and environment risk assessment- predicting external properties of nanoparticles influenced by media conditions". Summer School on Innovative Approaches in Science; North Carolina Biotechnology Center, Durham, North Carolina, USA, 7-10.06.2022 (poster presentation)

  • Marta Swirog, Alicja Mikolajczyk, Tomasz Puzyn: "Predicting electrophoretic mobility of TiO2, ZnO, and CeO2 nanoparticles in natural waters: The importance of environment descriptors in nanoinformatics models". “Nano-week” & NanoCommons Final Conference, 20-24.06.2022, Limassol, Cyprus (poster presentation)

  • Michał Kałapus, Leonid Gorb, Tomasz Puzyn: "Could solubility of nano metal oxides be computed in silico?", “Nano-week” & NanoCommons Final Conference, 20-24.06.2022, Limassol, Cyprus (poster presentation)

  • A. Gajewicz-Skretna, A. Banerjee, K. Roy: "Data-driven or data-informed learning approach for predictive modelling? Towards novel numerical algorithms to support grouping and read-across of nanomaterials and advanced materials". “Nano-week” & NanoCommons Final Conference, 20-24.06.2022, Limassol, Cyprus (poster presentation)

  • Dawid Falkowski, Alicja Mikołajczyk, Tomasz Puzyn: "Zastosowanie metod in silico do oceny toksyczności nowych substancji chemicznych".
    IV Konferencja Naukowa “Chemia – Biznes – Środowisko” (ChemBIŚ 2022), 24-25.06.2022 (poster presentation)

  • Agnieszka Gajewicz-Skretna, Magdalena Piotrowska, Maciej Gromelski, Ewelina Wyrzykowska: "Towards novel numerical algorithms to support QSAR and read-across for chemical safety assessment". 23rd European Symposium on Quantitative Structure-Activity Relationship (EuroQSAR), 26-30.09.2022, Heidelberg, Germany (poster presentation)

  • Selavaraj Sengottiyan, Alicja Mikołajczyk, Tomasz Puzyn: "pH-dependent models of the cellular uptake mechanism of NPs for effective drug-delivery for cancer treatment: insights from a computational study". Modeling and Design of Molecular Materials, Gdańsk, 19-22.09.2022 (poster presentation)

  • Sattibabu Merugu, Karolina Jagiełło, Tomasz Puzyn: "Can interactions between carbon nanotubes and proteins act as an MIE according to AOP 173?", Modeling and Design of Molecular Materials, Gdańsk, 19-22.09.2022 (poster presentation).

Conferences 2021

INVITED LECTURES:

  • Puzyn T. (2021) – How can I help? Nanoinformatics for nanotoxicology and nanomedicine. Nanotexnology, 3-10 July 2021, Saloniki, Greece.

ORAL PRESENTATIONS:

  • Burgum M.J., El Yamani N., Sosnowska A., Stoliński F., Longhin E.M., Mariussen E., Runden-Pran E., Jenkins G., Clift M.J.D., Puzyn T., Dusinska M., Doak S.H. (2021): Standardisation of mutagenicity testing approaches, tailored to the evaluation of engineered nanomaterials. 56th Congress of the European Societies of Toxicology (EUROTOX 2021) TOXICOLOGY OF THE NEXT GENERATION, Virtual Congress, 27th September –1st October 2021

  • El Yamani N., Gromelski M., Mariussen E., Wyrzykowska E., Grabarek D., Puzyn T., Dusinska M., Runden-Pran E. (2021): In silico unravelling of descriptors for cytotoxicity and genotoxicity for hazard identification of nanomaterials. 56th Congress of the European Societies of Toxicology (EUROTOX 2021) TOXICOLOGY OF THE NEXT GENERATION, Virtual Congress, 27th September –1st October 2021

  • Rybińska-Fryca A., Gromelski M., Vijver M., Peijnenburg W.J., Chatel A., Barrick A., Manier N., Kalman J., Navas J.M., Jagiełło K., Puzyn T. (2021): How do the existing read-across frameworks work for nanomaterials? 56th Congress of the European Societies of Toxicology (EUROTOX 2021) TOXICOLOGY OF THE NEXT GENERATION, Virtual Congress, 27th September –1st October 2021

  • Jagiello K., Halappanavar S., Rybinska-Fryca A., Williams A., Vogel U., Puzyn T. (2021): “Transcriptomic-based and AOP-informed structure-activity relationships to predict adverse outcomes induced by nanomaterials”, NanoTOX_2021 (https://nanotox2021.org/), 20-22.04.2021 (online conference) [K. Jagiello – oral presentation]

POSTER PRESENTATIONS:

  • Sosnowska A., Jagiełło K., Peijnenburg W., Grafstrom R., Dalmaar C., Jensen K.A., Ahluwalia A., Tran L., Doak S., Puzyn T. (2021): How the EMMC MODA can be used for physic-based and data-based models for risk assessment? 56th Congress of the European Societies of Toxicology (EUROTOX 2021) TOXICOLOGY OF THE NEXT GENERATION, Virtual Congress, 27th September –1st October 2021.
  • Jagiełło K., Halappanavar S., Rybińska-Fryca A., Williams A., Vogel U., Puzyn T. (2021): How to use AOP to prioritize NanoQSAR model development? 56th Congress of the European Societies of Toxicology (EUROTOX 2021) TOXICOLOGY OF THE NEXT GENERATION, Virtual Congress, 27th September –1st October 2021.
  • Gromelski M., Stoliński F., Rybińska-Fryca A., Jagiełło K., Puzyn T. (2021): Web application to predict the ‘Agranulocyte adhesion pathway and diapedesis’ in AOP 173 induced by MWCNTs. 56th Congress of the European Societies of Toxicology (EUROTOX 2021) TOXICOLOGY OF THE NEXT GENERATION, Virtual Congress, 27th September –1st October 2021.
  • Stoliński F., Sosnowska A., Hongisto V., Grabarek D., Stępnik M., Wyrzykowska E., Jagiełło K., Puzyn T. (2021): The differences in the 2D and 3D cytotoxicity testing results – an in silico approach. 56th Congress of the European Societies of Toxicology (EUROTOX 2021) TOXICOLOGY OF THE NEXT GENERATION, Virtual Congress, 27th September –1st October 2021.
  • Wyrzykowska E., Mikołajczyk A., Gromelski M., Puzyn T. (2021): Application of QSAR modeling to predict the toxicity of nanomaterials – principles of obtaining reliable and valuable results. 56th Congress of the European Societies of Toxicology (EUROTOX 2021) TOXICOLOGY OF THE NEXT GENERATION, Virtual Congress, 27th September –1st October 2021.

  • Gromelski M., Stoliński F., Rybińska-Fryca A., Jagiello K., Puzyn T. (2021): „AOP173 Key Pathway Predictor – Online application for the prediction of BDMLs of essential transcriptomic pathway for the occurrence of the first KE in AOP173 induced by MWCNTs”, NanoTOX_2021 (https://nanotox2021.org/), 20-22.04.2021 (online conference) [F. Stolinski – poster presentation]

  • Judzińska B., Jagiello K., Sosnowska A., Puzyn T. (2021): “First step in reproduction disorder pathway assembly induced by nanomaterials in Daphnia magna”, NanoTOX_2021 (https://nanotox2021.org/), 20-22.04.2021 (online conference) [B. Judzinska – poster presentation]

  • Rybińska-Fryca A., Gromelski M., Vijver M., Peijnenburg W., Châtel A., Barrick A., Manier N., Kalman J., Navas J., Jagiello K., Puzyn T. (2021): “Read-across assessment framework in the context of the ecotoxicological endpoint”, NanoTOX_2021 (https://nanotox2021.org/), 20-22.04.2021 (online conference) [A. Rybinska – Fryca – poster presentation]

  • Wyrzykowska E., Gromelski M., Sosnowska A., Puzyn T. (2021): „Guideline for Nano-(Q)SAR/(Q)SPR modeling”, NanoTOX_2021 (https://nanotox2021.org/), 20-22.04.2021 (online conference) [E. Wyrzykowska – poster presentation]

Conferences 2019

INVITED LECTURES:

  • Puzyn T., Mikołajczyk A., Gajewicz A., Wyrzykowska E., Gromelski M. (2019): Computational modelling in nanotoxicology. Nanoscience Summer School @Yachay Tech University 2019, International Edition, 26.o5 – 01.06.2019, Puerto Ayora, Galapagos Islands, Ecuador.

  • Mikolajczyk A.  (2019): Lessons from the past, vision for the future: Application of Nano-QSAR for design of safe nanomaterials. 27th International Conference on Current Trends in Computational Chemistry CCTCC 2019, MS, USA, 8-9.11.2019.

  • Mikolajczyk A. (2019): Computational methods for supporting risk assessment of Nanomaterials. Towards developing computational models for risk assessment of engineered nanoparticles: 1st Interprofessional Education Nano Training School Cutting Edge Approaches for the Risk Assessment and Management of Nano-(bio)materials: From the Lab to the Market, Venice, Italy, 25-19.03.2019.

  • Mikolajczyk A. (2019): Computational Methods in Risk Assessment of Advanced Materials: An Environmental Safety Perspective. Norwegian-Polish Chamber of Commerce Cross-Business Seminar and Pre-Christmas Party, 5.12.2019, Polish Embassy in Oslo, Norway.

ORAL PRESENTATIONS:

  • Puzyn T., Sosnowska A., Barycki M., Rybinska-Fryca A., Ambure P., Wyrzykowska E. (2019): Computational tools for assessing the risk of ionic liquids before their use in new technologies. CMTPI-2019: 10th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, 23-27.06.2019, Ioannina, Greece.

  • Gajewicz A., Furuhama A., Yamamoto H., Suzuki N. (2019): Acute aquatic toxicity of diverse industrial organic chemicals: Is there need for new in silico models? CMTPI-2019: 10th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, 23-27.06.2019, Ioannina, Greece.

  • Puzyn T. (2019): Chemoinformatics in nanotechnology. II Konferencja Naukowa "Chemia - Biznes - Środowisko" (ChemBiŚ 2019), 28-29.06.2019, Gdańsk, Polska.

  • Puzyn T. (2019): Chemoinformatic tools for designing efficient and safe nanomaterials. 4th International Conference "InterNanoPoland 2019", 16-17.10.2019, Katowice, Polska.

  • Puzyn T. (2019): Chemoinformatics in nanomedicine. “Life Science Open Space” Conference, 26.11.2019, Kraków, Poland.

  • Jagiełło K., Puzyn T. (2019): “Towards integrating Nano-QSAR and Nano-AOP”. Nano Safety Cluster Meeting, 8.10.2019, Copenhagen, Denmark.

  • Ambure P., Gajewicz A., Cordeiro M.N., Roy K. (2019): A new workflow for QSAR model development from small data sets: Integration of data curation, exhaustive double cross-validation and consensus prediction tools. Eighth joint Sheffield Conference on Chemoinformatics. 17-19.06.2019, Sheffield, UK (oral presentation K. Roy).

  • Gajewicz-Skrętna A. (2019): Chemoinformatyka w służbie oceny ryzyka chemicznego. 4. Forum Inteligentnego Rozwoju. 28-29.11.2019, Uniejów, Polska.

  • Mikolajczyk A. (2019): Beauty and the Beast: safety assessment of nanoparticles in food. Life Science Open Space, LSOS 2019, Kraków, Poland, 26.11.2019.

  • Mikolajczyk A. (2019): Computational methods for future safe of chemistry, Inter Nano Poland, Katowice, Poland, 16-17.10.2019.

Conferences 2018

INVITED LECTURES:

  • Puzyn T. (2018): Computational methods for supporting risk assessment of ionic liquids. 2018 International Conference on Computational Chemistry and Toxicology in Environmental Science, Tajchung, Tajwan, 4-6 May 2018.

  • Mikolajczyk A. (2018): Heterogeneous nanomaterials Safer-by-design: towards computational characterization of novel TiO2-based photocatalyst. 2018 International Conference on Computational Chemistry and Toxicology in Environmental Science, Tajchung, Tajwan, 4-6 May 2018.

  • Puzyn T. (2018): Seven years after publishing the first Nano-QSAR. CECAM Workshops Bio-, chem-, and nanoinformatics approaches to study bionano interface, Dublin, Ireland, 23-25 May 2018.

  • Jagiello K., Gromelski M., Judycka U., Błażejowski J., Puzyn T. (2018): Quantitative Structure-Property Relationship approach – useful tool to predict HPLC retention data. 41 Sympozjum Chromatograficzne Metody badania Związków Organicznych, Szczyrk, Poland, 19-22 June 2018.

  • Mikołajczyk A., Puzyn T. (2018): Chemoinformatic Methods in Designing Photocatalytic Materials. The 3rd International Conference on New Photocatalytic Materials for Environment, Energy and Sustainability; The 4th International Conference on Photocatalytic and Advanced Oxidation Technologies for the Treatment of Water, Air, Soil and Surfaces, Porto, Portugal, 10-13 July 2018, Invited speaker (T.Puzyn).

  • Mikołajczyk A. (2018): Computational Design of New and Efficient TiO2-Based Photocatalyst: An Environmental Safety Perspective. The Nanoscience Summer School, Yachay Tech University, 30 July - 3 August 2018 Quito, Ecuador, invited speaker (A. Mikołajczyk).

  • Mikołajczyk A. (2018): Computational design of new and efficient TiO2-based photocatalyst: An environmental safety perspective. The Nanoscience Summer School, Yachay Tech University, 03 July - 03 August 2018 Quito, Ecuador, invited speaker on the course (A. Mikołajczyk).

  • Mikołajczyk A. (2018): Zastosowanie metod in silico w projektowaniu nowych i przyjaznych środowisku nanomateriałów. VII Ogólnopolska Konferencja Młodych Naukowców Człowiek, Nauka, Środowisko. 6-7 September 2018, Gdańsk, Poland, invited speaker (A. Mikołajczyk).

  • Puzyn T. (2018): Towards Computational Risk Assessment of Ionic Liquids. 26th Conference on Current Trends in Computational Chemistry (2018 CCTCC), 9-10 November 2018, Jackson, USA, invited speaker (T. Puzyn).

ORAL PRESENTATIONS:

  • Gajewicz A. (2018): Read-across for the safety assessment of nanomaterials: possible approaches, challenges and perspectives. 18th International Conference on QSAR in Environmental and Health Sciences, Bled, Slovenia, 11-15 June 2018.

  • Puzyn T. (2018): Towards shifting the QSAR paradigm for Nanomedicine and Nanotoxicology. 22nd European Symposium on Quantitative Structure-Activity Relationships (EuroQSAR), 16-20 September 2018, Thessaloniki, Greece.

  • Gajewicz A. (2018): Chemoinformatyka w ocenie ryzyka stwarzanego przez nanocząstki. VI plenarne posiedzenie Komitetu Biotechnologii Polskiej Akademii Nauk, 29 October 2018, Warszawa, Poland, invited speaker (A. Gajewicz). (Wykład popularnonaukowy/Popular science lecture).

  • Rybińska-Fryca Anna., Wyrzykowska E., Sosnowska A., Puzyn T. (2018): When toxicity is a good thing – sace of antibiotic resistant bacteria. The 2 Advances on Green Chemistry, 16-18.04.2018, Poznań, Poland, flash talk presentation (A. Rybińska-Fryca).

  • Blázquez M., Fernández-Cruz M. L., Gajewicz A., Puzyn T., & Benfenati E. (published: 2019): On the uses of predictive toxicology to approve the use of engineered nanomaterials as biocidal active substances under the Biocidal Products Regulation. 4th International Conference on Structural NanoComposites (NANOSTRUC), HTW Berlin, Germany, 23-24 May 2018 (M. Blazquez).

POSTER PRESENTATIONS:

  • Sosnowska A., Ambure P., Barycki M., Rybińska-Fryca A., Wyrzykowska E., Puzyn T. (2018): Risk Explorer for Ionic Liquids – RexIL Tool. SETAC Europe 28th Annual Meeting, Rome, Italy, 13-17 May 2018.

  • Piotrowska M., Gajewicz A. (2018): A novel linear kernel regression-based read-across approach to support toxicological risk assessment of nanoparticles. 18th International Conference on QSAR in Environmental and Health Sciences, Bled, Slovenia, 11-15 June 2018.

  • Piotrowska M., Gajewicz A. (2018): Zastosowanie nieparametrycznej estymacji jądrowej w szacowaniu przekrojowym (read-across) wspierającym ocenę zagrożenia stwarzanego przez nanocząstki tlenków metali. I Konferencja Naukowa Chemia – Biznes – Środowisko (ChemBiŚ), Gdańsk, Polska, 25 June 2018.

  • Gajewicz A. (2018): Read-across modelling: Lessons from the past, visions for the future. 22nd European Symposium on Quantitative Structure-Activity Relationships (EuroQSAR), 16-20 September 2018, Thessaloniki, Greece.

  • Gajewicz A. (2018): Computational toxicology: Read-across approach for risk assessment of industrial organic chemicals. 26th Conference on Current Trends in Computational Chemistry (2018 CCTCC), 9-10 November 2018, Jackson, USA.

  • Gajewicz A. (2018): How to judge whether QSAR/read-across predictions can be trusted? Novel approach for establishing model’s applicability domain. 26th Conference on Current Trends in Computational Chemistry (2018 CCTCC), 9-10 November 2018, Jackson, USA.

Conferences 2017

  • Wyrzykowska E., Mikolajczyk A., Nadolna J., Puzyn T. (2017): Photocatalytic Activity of Er-TiO2 Nanocomposite. 2nd World Congress on Recent Advances in Nanotechnology (RAN’17): 2nd International Conference on Nanotechnology Modeling and Simulation (ICNMS'2017), Barcelona, Hiszpania, 4-6 kwietnia 2017, poster (E. Wyrzykowska).

  • Mikolajczyk A., Nadolna J., Zalewska-Medynska A., Puzyn T. (2017): Combined Experimental and Computational Approach to Develop Efficient Photocatalysts Based on RE-TiO2 Nanoparticles. 2nd World Congress on Recent Advances in Nanotechnology (RAN’17): 2nd International Conference on Nanotechnology Modeling and Simulation (ICNMS'2017), Barcelona, Hiszpania, 4-6 kwietnia 2017, poster (A. Mikolajczyk)

  • Wyrzykowska E., Rybinska A., Sosnowska A., Puzyn T. (2017): The decision tree as a tool for the ionic liquid’s mutagenic potential predictions. 16th International Conference on Chemistry and the Environment, Oslo, Norway, 18-22.06.2017, poster (E. Wyrzykowska).

  • Jagiello K., Bhat J., Sosnowska A., Puzyn T. (2017): The quality of QSAR/QSPR models developed for ionic liquids vs. methods applied to calculate molecular descriptors. 16th International Conference on Chemistry and the Environment, Oslo, Norway, 18-22.06.2017,
    poster (K. Jagiello).

  • Puzyn T. (2017): Computational Methods in Hazard Assessment of Engineered Nanoparticles. NN17, 14th International Conference on Nanosciences & Nanotechnologies, Thessaloniki, Greece, 4-7.07.2017, oral presentation (T. Puzyn)

  • Sosnowska, T. Puzyn (2017): Applying QSPR for designing ionic liquids. 4th International Conference on Ionic Liquid-based Materials, Santiago de Compostela, Spain, 24-27.10.2017, oral and poster presentation (A. Sosnowska)

  • Gajewicz A. (2017): Novel in silico methods at the crossroads of “real-life” (sparse) nanotoxicity data and regulatory needs. 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Goa, India, 27-30.10.2017, oral presentation (A. Gajewicz)

  • Puzyn T. (2017): Chemoinformatics in nanomedicine and nanotoxicology. 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Goa, India, 27-30.10.2017, oral presentation (T. Puzyn)

  • Wyrzykowska E., Mikolajczyk A., Nadolna J., Puzyn T. (2017): Photocatalytic Activity modeling of RE-TiO2 nanocomposites. 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Goa, India, 27-30.10.2017, poster (E. Wyrzykowska)

  • Gajewicz A. (2017): Read-Across Approaches for Nanomaterial Safety Assessment. 25th International Conference on Current Trends in Computational Chemistry, Jackson, MS, USA, 10-11.11.2017, poster (A. Gajewicz)

  • Mikołajczyk A., Puzyn T. (2017): Combined experimental and computational approach for design novel efficient and environmentally safe photocatalyst with agreement of safe-be-design idea. 25th International Conference on Current Trends in Computational Chemistry, Jackson, MS, USA, 10-11.11.2017, poster (A. Mikołajczyk)

  • Puzyn T., Barycki M., Rybińska A., Sosnowska A. (2017): Computational Methods for Supporting Risk Assessment of Ionic Liquids. 25th International Conference on Current Trends in Computational Chemistry, Jackson, MS, USA, 10-11.11.2017, poster (T.Puzyn)

  • Barycki M., Sosnowska A., Puzyn T. (2017): Environmantal fate of ionic liquids – challenges in computational modeling. 3rd EuCheMS Congress on Green and Sustainable Chemistry, York, Great Britain, 05.09.2017, oral presentation (M. Barycki)

  • Mikolajczyk A., Puzyn T. (2017): Quantitative Structure-Property Relationship modeling for surface modified TiO2 based nanoparticles: achievements and perspectives. Nanoscience Summer School held at YACHAY 2017, Quito, Ecuador, 31.08-05.09.2017, oral presentation (A. Mikolajczyk)

  • Mikolajczyk A., Zaleska-Medynska A., Puzyn T. (2017): Combined experimental and computational approach to develop efficient photocatalysts based on Me@TiO2 nanoparticles. Nanoscience Summer School, YACHAY 2017, Quito, Ecuador, 31.08-05.09.2017, poster (A. Mikolajczyk)

  • Mikolajczyk A., Puzyn T. (2017): Computational modelling - how to design environmentally friendly photocatalyst based on Me@TiO2? Nanoscience Summer School, YACHAY 2017, Quito, Ecuador, 31.08-05.09.2017, poster (A. Mikolajczyk)

  • Mikolajczyk A., Puzyn T. (2017): Application of novel additive descriptors for mixtures in Nano-QSAR modeling of heterogeneous TiO2-based nanomaterial. 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resource, CMTPI 2017, Goa, Indie, 27-30.10.2017, poster (A. Mikolajczyk)

Conferences 2016

INVITED LECTURES:

  • Puzyn T., Gajewicz A. (2016): Numerical algorithms for supporting qualitative and quantitative read-across for nanomaterials. OECD Expert Meeting on Grouping and Read Across for the Hazards Assessment of Manufactured Nanomaterials, Brussels, Belgium, 13-14 April 2016. 

OTHER CONFERENCE PRESENTATIONS:

  • Kar S., Jagiełło K., Sosnowska A., Demkowicz S., Daśko M., Leszczynski J., Rachon J., Puzyn T. (2016): Comprehensive study on the geometry optimization of steroid sulfatase inhibitors with amalgamation of the docking study to check the energy with STS. 16th Southern School on Computational Chemistry and Materials Science Conference, Jackson, MS, USA, 28-29 July 2016. Poster (S. Kar).

  • Sosnowska A., Grzonkowska M., Puzyn T. (2016): Global vs. Local QSAR mod-els for predicting ionic liquids toxicity. 26th EUCHEM Conference on Molen Salts and Ionic Liquids, Vienna, Austria, 3-8 July 2016. Poster (A. Sosnowska).

  • Barycki M., Sosnowska A., Puzyn T. (2016): Micellization of ionic liquids - QSPR studies. 26th EUCHEM Conference on Molen Salts and Ionic Liquids, Vienna, Aus-tria, 3-8 July 2016. Poster (M. Barycki).

  • Rybińska A., Sosnowska A., Grzonkowska M., Barycki M., Puzyn T. (2016): As-sessing the bioaccumulation ability of ionic liquids by QSPR method. 26th EUCHEM Conference on Molen Salts and Ionic Liquids, Vienna, Austria, 3-8 July 2016. Poster (A. Rybińska).

  • Barycki M., Sosnowska A., Puzyn T. (2016): Komputerowe wyznaczanie kry-tycznego stężenia micelizacji cieczy jonowych (in Polish). IX Sympozjum CZWARTORZĘDOWE SOLE AMONIOWE I OBSZARY ICH ZASTOSOWANIA, Poznań, Poland, 27-29 June 2016. Oral presentation (M. Barycki).

  • Rybińska A., Sosnowska A., Puzyn T. (2016): Sposoby opisu cieczy jonowych przy budowie modeli QSAR/QSPR (in Polish). IX Sympozjum CZWARTORZĘ-DOWE SOLE AMONIOWE I OBSZARY ICH ZASTOSOWANIA, Poznań, Poland, 27-29 June 2016. Oral presentation (A. Rybińska).

  • Rybińska A., Odziomek K., Puzyn T. (2016): Program R jako skuteczne narzę-dzie do analizy danych (in Polish). V Ogólnopolska Konferencja Młodych Nau-kowców Człowiek, Nauka, Środowisko, Gdańsk, Poland 23-24 June 2016. Poster (A. Rybińska).

  • Wyrzykowska E., Puzyn T. (2016): Zata potencial in process of dynamic self-assembly of nanoscale titanium oxide (IV) in the environment. NanoTechPoland International Conference & Exhibition, Poznań, Poland, 22-25 June 2016. Poster (E. Wyrzykowska).

  • Mikołajczyk A., Rasulev B., Gajewicz A., Zaleska-Medynsla A., Hirano S., Puzyn T. (2016): Towards the Design and Characterization of Second Generation Nanoparticles: Application of Novel Mixture Descriptors in Nano-QSPR Approaches. 8th International Congress Nanotoxicology nanoTOX2017, Boston, USA, 1-4 June 2016. Poster (A. Mikołajczyk).

  • Gajewicz A., Puzyn T. (2016): Numerical Algorithms for Supporting Qualitative and Quantitative Read-across for Nanomaterials. 8th International Congress Nanotoxicology nanoTOX2016, Boston, USA, 1-4 June 2016. Poster (A. Gajewicz).

  • Puzyn T. (2016): Computational Nanotoxicology - Status and Perspectives. 8th International Congress Nanotoxicology nanoTOX2016, Boston, USA, 1-4 June 2016. Poster (T. Puzyn).

  • Rybińska A., Sosnowska A., Grzonkowska M., Barycki M., Puzyn T. (2016): Wykorzystanie metody QSPR w ocenie zdolności cieczy jonowych do bioakumu-lacji (in Polish). I Interdyscyplinarna Akademicka Konferencja Ochrony Środowi-ska, Gdańsk, Poland, 18-20 March 2016. Poster (A. Rybińska).

  • Lewandowska W., Puzyn T. (2016): Rozmyte systemy wnioskujące w ocenie toksyczności nanomateriałów (in Polish). I Interdyscyplinarna Akademicka Konfe-rencja Ochrony Środowiska, Gdańsk, Poland, 18-20 March 2016. Poster (W. Lewandowska).

Conferences 2015

INVITED LECTURES:

  • Gajewicz A. (2015): Insufficient empirical data do not have to create barriers for regulating nanomaterials: Applying in silico methods. 23rd CCTCC, Jackson, USA, 13-14 November 2015.

  • Puzyn T. (2015): Computational Modeling in Nanotoxicology. NANOCON 2015 7th International Conference, Brno, Czech Republic, 14-16 October 2015.

  • Puzyn T. (2015): Achievements and perspectives of computational nanotoxicolo-gy. 51st Congress of the European Societies of Toxicology EUROTOX 2015, Porto, Portugal, 13-16 September 2015.

  • Puzyn T. (2015): Towards developing computational models for risk assessment of engineered nanoparticles: NanoPUZZLES project summary. 12th International Conference on Nanosciences & Nanotechnologies, Thessaloniki, Greece, 7-10 July 2015. 

  • Puzyn T., Gajewicz A. (2015): QSAR and read-across for nanoparticles. 8th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2015), Chios, Greece, 21-25 June 2015.

OTHER CONFERENCE PRESENTATIONS:

  • Gajewicz A., Puzyn T. (2015): Computational modelling - How to overcome problem of insufficient empirical data for nanomaterials? CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Oral presentation (A. Gajewicz).

  • Jagiełło K., Chomicz B., Avramopoulos A., Papadopoulos M., Puzyn T. (2015): Size-dependent Properties of Nanomaterials - The New Class of Nanodescriptors. CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Poster (K. Jagiełło).

  • Barycki M., Puzyn T. (2015): Computational modeling of aggregation and sedi-mentation on nanoparticles based on population balance equation. CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Poster (M. Barycki).

  • Odziomek K., Ushizima D., Oberbek P., Kurzydłowski K.J., Puzyn T., Haranczyk M. (2015): Scanning electron microscopy as a source of morphological data on nanoparticles: image representativeness. CompNanoTox 2015 – European Con-ference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Oral presentation (K. Odziomek).

  • Wyrzykowska E., Puzyn T. (2015): The assessment of existing methods in de-termining applicability domain of the model in the nano-QSPR approach. CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Poster (E. Wyrzykowska).

  • Grzonkowska M., Jagiello K., Swirog M., Ahmed L., Rasulev B., Leszczynski J., Avramopoulos A., Puzyn T. (2015): The applicability of QSAR and 3D-QSAR approaches in nanoQSAR studies. CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Poster (M. Zaborowska/Grzonkowska).

  • Gromelski M., Lewandowska W., Gajewicz A., Puzyn T. (2015): Is more expen-sive always better? Comparison of different computational methods in nano-QSAR modeling of cellular uptake for nanoparticles. CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Poster (M. Gromelski).

  • Lewandowska W., Gromelski M., Gajewska A., Puzyn T. (2015): Nano-QSAR modeling for cellular of superparamagnetic iron oxide nanoparticles (SPIONs) in human umbilical vein endothelial cells (HUVEC). CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Poster (W. Lewandowska).

  • Puzyn T., Jeliazkova N., Sarimveis H., Marchese Robinson R. L., Lobaskin V., Rallo R., Richarz A., Gajewicz A., Papadopoulos M., Cassano A., Hastings J., Cronin M.T.D., Benfenati E., Fernandez A. (2015): Validation criteria of nano-(Q)SAR models. CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Oral presentation (T. Puzyn).

  • Zaborowska M., Sosnowska A., Barycki M., Rybińska A., Puzyn T. (2015): Wstępna ocena toksyczności nowo projektowanych cieczy jonowych wobec bak-terii Vibrio fischeri (in Polish). 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (M. Zaborowska).

  • Mikołajczyk A., Cybula A., Zaleska A., Puzyn T. (2015): Zastosowanie metod komputerowych w projektowaniu bezpiecznych i funkcjonalnych układów fotoka-talitycznych typu Men@MeOx (in Polish). 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (A. Mikołajczyk).

  • Rybińska A., Sosnowska A., Barycki M., Puzyn T. (2015): Influence of the geom-etry optimization methods on QSPR modeling for Ionic Liquids. 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (A. Rybińska).

  • Barycki M., Sosnowska A., Piotrowska A., Urbaszek P., Rybińska A., Zaborow-ska M., Puzyn T. (2015): Simple chemometric tool for Ionic Liquids' physiochemi-cal properties prediction. 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (M. Barycki).

  • Sosnowska A., Zaborowska M., Rybińska A., Barycki M., Piotrowska M., Urba-szek P., Puzyn T. (2015): Ionic liquids' toxicity and physicochemical properties - ILsTOX database. 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (A. Sosnowska).

  • Puzyn T., Rybińska A., Łuczak J., Grabowska E., Zaleska-Mendynska A. (2015): Preliminary selection of representative Ils for studies on the influence of Ils' structure on efficiency of hydrothermal synthesis of TiO2 catalyzers. 58 Ogól-nopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (T. Puzyn).

  • Jagiełło K., Zaborowska M., Puzyn T., Ahmed L., Avramopoulos A. (2015): The applicability of CoMFA/CoMSIA approach in Nano-QSAR studies. 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (K. Jagiełło).

  • Gajewicz A., Jagiełło K., Cronin M.T.D., Leszczynski J., Puzyn T. (2015): Less data do not have to create barriers for regulate nanomaterials: Applying quantita-tive read-across (Nano-QRA). 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (A. Gajewicz).

  • Wyrzykowska E., Mikołajczyk A., Sikorska C., Puzyn T. (2015): The impact of intrinsic properties of metal oxides nanoparticles on their zeta potential - QSPR approach. 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 Sep-tember 2015. Poster (E. Wyrzykowska).

  • Wyrzykowska E., Jagiełło K., Baniecka A., Puzyn T. (2015): Chemical diversity of pharmaceuticals vs. the application of QSPR techniques. 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (E. Wyrzykow-ska).

  • Odziomek K., Puzyn T. (2015): Modelowanie wpływu struktury chemicznej nano-cząstek pochodnych hydroksyapatytu na ich właściwości fizykochemiczne i bio-logiczne metodami in silico (in Polish). 58 Ogólnopolski Zjazd Naukowy PTCh, Gdańsk, Poland, 21-25 September 2015. Poster (K. Odziomek).

  • Mikołajczyk A., Malankowska A., Gajewicz A., Hirano S., Zaleska-Medynska A., Puzyn T. (2015): Design of new efficient and environmentally friendly photocata-lysts: Application of nano-QSPR and mixture descriptors. CompNanoTox 2015 – European Conference on Computational Nanotoxicology, Malaga, Spain, 4-6 November 2015. Poster (A. Mikołajczyk).

  • Mikołajczyk A., Rasulev B., Pinto H., Gajewicz A., Leszczynski J., Puzyn T. (2015): Computational modelling - how to design environmentally friendly photo-catalyst based on Me@TiO2. 23rd Conference on Current Trends in Computational Chemistry (CCTCC), Jackson, USA, 13-14 November 2015. Poster (A. Mikołajczyk).

  • Mikołajczyk A., Puzyn T. (2015): Nano-QSPR approach towards development of efficient and environmentally friendly photocatalysts based on Me@TiO2. 23rd Conference on Current Trends in Computational Chemistry (CCTCC), Jackson, USA, 13-14 November 2015. Poster (T. Puzyn).

  • Sizochenko N., Rasulev B., Gajewicz A., Leszczynski J., Puzyn T. (2015): Add-ing new features for nano-QSAR modeling: causal inference methods and mech-anistic interpretation. 23rd Conference on Current Trends in Computational Chem-istry (CCTCC), Jackson, USA, 13-14 November 2015. Poster (A. Gajewicz).

  • Gajewicz A., Jagiełło K., Cronin A.TD., Leszczynski J., Puzyn T. (2015): Compu-tational modelling - How to overcome problem of insufficient empirical data for na-nomaterials? Final Quality Nano Conference "Current Status and Future Plans of Nanosafety Research and Implementation", Heraklion, Greece, 15-17 July 2015. Poster (A. Gajewicz).

  • Gajewicz A., Mikołajczyk A., Cybula A., Zaleska A., Puzyn T. (2015): Safe-by-design - how computational methods can improve the efficiency of product de-signing and manufacturing. 12th International Conference on Nanosciences & Nanotechnologies, Thessaloniki, Greece, 7-10 July 2015. Poster (A. Gajewicz).

  • Mikołajczyk A., Gajewicz A., Puzyn T., Cybula A., Zaleska A., Hirano S. (2015): Zastosowanie metody nano-QSPR w projektowaniu nanoukładów typu Au/Pd@TiO2 o właściwościach fotokatalitycznych (in Polish). IV Ogólnopolska Konferencja Studentów i Doktorantów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Poster (A. Mikołajczyk).

  • Rybińska A, Sosnowska A., Barycki M., Puzyn T. (2015): Problem optymalizacji geometrii struktury cieczy jonowych w metodzie QSAR/QSPR (in Polish). IV Ogólnopolska Konferencja Studentów i Doktorantów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Oral presentation (A. Rybińska).

  • Odziomek K., Ushizima D., Oberbek P., Kurzydłowski K., Puzyn T., Harańczyk M. (2015): Skaningowa mikroskopia elektronowa jako źródło morfologicznych da-nych o nanocząstkach: reprezentatywność obrazów (in Polish). IV Ogólnopolska Konferencja Studentów i Doktorantów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Oral presentation (K. Odziomek).

  • Zaborowska M., Sosnowska A., Barycki M., Rybińska A., Puzyn T. (2015): Wpływ cieczy jonowych na ich toksyczność wobec bakterii Vibrio fischeri. Mode-lowanie QSAR (in Polish). IV Ogólnopolska Konferencja Studentów i Doktorantów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Poster (M. Zaborowska).

  • Wyrzykowska E., Baniecka A., Jagiełło K., Puzyn T. (2015): Chemiczne zróżni-cowanie farmaceutyków, a zastosowanie technik QSPR w ich ocenie ryzyka śro-dowiskowego (in Polish). IV Ogólnopolska Konferencja Studentów i Doktorantów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Poster (E. Wyrzykowska).

  • Lewandowska W., Gromelski M., Gajewicz A., Puzyn T. (2015): Modelowanie zależności pomiędzy strukturą chemiczną supermagnetycznych nanotlenków że-laza (SPIONs), a wychwytem komórkowym ludzkich komórek śródbłonka żyły pępowinowej (HUVEC) (in Polish). IV Ogólnopolska Konferencja Studentów i Dok-torantów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Oral presentation (W. Lewandowska).

  • Lewandowska W., Gromelski M., Gajewicz A., Puzyn T. (2015): Model nano-QSAR wychwytu komórkowego superparamagnetycznych nanotlenków żelaza (SPIONs) względem linii komórkowej ludzkich komórek śródbłonka żyły pępowi-nowej (HUVEC) (in Polish). IV Ogólnopolska Konferencja Studentów i Doktoran-tów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Poster (W. Lewandowska).

  • Gromelski M., Lewandowska W., Gajewicz A., Puzyn T. (2015): Ilościowe mode-lowanie zależności pomiędzy strukturą modyfikowanych powierzchniowo super-paramagnetycznych nanotlenków żelaza (SPIONs), a wychwytem komórkowym w ludzkich komórkach raka trzustki (PaCa2) (in Polish). IV Ogólnopolska Konfe-rencja Studentów i Doktorantów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Oral presentation (M. Gromelski).

  • Gromelski M., Lewandowska W., Gajewicz A., Puzyn T. (2015): Modelowanie nano-QSAR zależności pomiędzy wychwytem komórkowym a strukturą superpa-ramagnetycznych nanotlenków żelaza (SPIONs) (in Polish). IV Ogólnopolska Konferencja Studentów i Doktorantów Nauk Ścisłych Człowiek Nauka Środowisko (CNŚ), Gdańsk, Poland, 21-25 June 2015. Poster (M. Gromelski).

  • Sosnowska A., Barycki M., Zaborowska M., Rybińska A., Puzyn T. (2015): The influence of the cation and anion structure for designing environmentally safe Ionic Liquids - a computational study. 6th International Congress on Ionic Liquids (COIL-6), Jeju, Korea, 16-20 June 2015. Oral presentation (A. Sosnowska).

  • Sosnowska A., Barycki M., Zaborowska M., Rybińska A., Puzyn T. (2015): The influence of the cation and anion structure for designing environmentally safe Ionic Liquids - a computational study. 6th International Congress on Ionic Liquids (COIL-6), Jeju, Korea, 16-20 June 2015. Poster (A. Sosnowska).

  • Rybińska A., Sosnowska A., Barycki M., Puzyn T. (2015): Optimal way to get satisfactory results in QSPR models for ionic liquids - case study. 6th International Congress on Ionic Liquids (COIL-6), Jeju, Korea, 16-20 June 2015. Poster (A. Rybińska).

  • Barycki M., Sosnowska A., Rybińska A., Zaborowska M., Piotrowska A., Ur-baszek P., Puzyn T. (2015): Exploring the relationship between the structure of Ionic Liquids (Ils) and their selected physicochemical properties with PCA analysis. 6th International Congress on Ionic Liquids (COIL-6), Jeju, Korea, 16-20 June 2015. Poster (M. Barycki).

  • Mikołajczyk A., Cybula A., Gajewicz A., Zaleska A., Hirano S., Puzyn T. (2015): Development of photocatalyst based on Au/Pd@TiO2 nanoparticles by nano-QSPR and safe-by-design approaches. EuroNanoForum 2015, Rygge, Latvia, 10-12 June 2015. Poster (A. Mikołajczyk).

  • Gromelski M., Lewandowska W., Puzyn T. (2015): Computational approach of modeling statistically significant nano-quantitative structure-activity relations (nano-QSAR) between the structure of organic surface modifiers in superpara-magnetic iron oxide nanoparticles (SPIONs) and the cellular uptake in human pancreatic carcinoma (PaCa2). Chemistry, Environment and Nanotechnology International Science Conference, Gdańsk, Poland, 15-17 April 2015. Poster (M. Gromelski).

  • Lewandowska W., Gromelski M., Puzyn T. (2015): Nano-QSAR modeling for cel-lular uptake of superparamagnetic iron oxide nanoparticles (SPIONs) in human umbilical vein endothelial cells (HUVEC). Chemistry, Environment and Nanotech-nology International Science Conference, Gdańsk, Poland, 15-17 April 2015. Poster (W. Lewandowska).

Conferences 2014

INVITED LECTURES:

  • Puzyn T. (2014): Computational methods for supporting risk assessment of na-nomaterials. 8th International Symposium on NanoBiotechnology, Beijing, China, 20-21 October 2014. Invited lecture.

  • Puzyn T. (2014): How to perform QSAR modeling for nanomaterials. 7th Interna-tional Nanotoxicology Congress (NanoTox2014), Antalya, Turkey, 23-26 April 2014. Invited lecture.

  • Puzyn T., Gajewicz A. (2014): Developing Nano-QSAR: an update. 7th International Nanotoxicology Congress (NanoTox2014), Antalya, Turkey, 
    23-26 April 2014. Invited lecture.

OTHER CONFERENCE PRESENTATIONS:

  • Mikołajczyk A., Gajewicz A., Rasulev B., Schaeublin N. M., Hussain S. M., Leszczynski J., Puzyn T. (2014): Nanoparticles characterization:
    nano-QSPR modeling of zeta potential for metal oxide nanoparticles. 11th International Sympo-sium on Recent Advances in Environmental Health Research & 13th International Symposium on Metal Ions in Biology & Medicine, Jackson, MS, USA, 14-18 September 2014.
    Poster (A. Mikołajczyk).

  • Mikołajczyk A., Pinto H., Gajewicz A., Puzyn T., Leszczynski J. (2014): Structure and energetics of anatase TiO2 (101) surface-supported
    Au8 clusters. 11th Inter-national Symposium on Recent Advances in Environmental Health Research & 13th International Symposium on Metal Ions
    in Biology & Medicine, Jackson, MS, USA, 14-18 September 2014. Poster (A. Mikołajczyk).

  • Odziomek K., Ushizima D., Puzyn T., Haranczyk M. (2014): Toward quantitative structure-activity relationship (QSAR) models for nanoparticles. 248th American Chemical Society National Meeting & Exposition Chemistry & Global Stewardship, San Francisco, CA, USA, 10-14 August 2014. Poster (K. Odziomek).

  • Barycki M., Sosnowska A., Gajewicz A., Giełdoń A., Czaplewski C., Puzyn T. (2014): QSPR models for predicting viscosity of ionic liquids in various tempera-tures. 12th European Conference on Thermoelectrics (ECT 2014) European Thermoelectric Society, Madrid, Spain, 24-26 September 2014. Poster (M. Barycki).

  • Mikołajczyk A., Gajewicz A., Schaeublin N. M., Hussain S. M., Rasulev B., Leszczynski J., Puzyn T. (2014): Nano-QSPR approach: towards understanding mechanism of the agglomeration phenomenon of metal oxide nanoparticles. 14th Southern School on Computational Chemistry
    and Materials Science (SSCC&MS), Jackson, MS, USA, 24-25 July 2014. Poster (A. Mikołajczyk).

  • Barycki M., Sosnowska A., Zaborowska M., Rybińska A., Puzyn T. (2014): Exploring relationships between structure and toxicity of ionic liquids using princi-ple component analysis. Conference on Molen Salts and Ionic Liquids (EUCHEM2014), Tallinn, Estonia, 6-11 July 2014.
    Poster (M. Barycki).

  • Mikołajczyk A., Gajewicz A., Schaeublin N., Hussain S., Leszczynski J., Puzyn T. (2014): QSPR approach for estimating zeta potential of metal oxide nanoparticles. 7th International Nanotoxicology Congress (NanoTox2014), Antalya, Turkey, 23-26 April 2014. Poster (A. Mikołajczyk).

 

Conferences 2013

INVITED LECTURES:

  • Puzyn T., Gajewicz A., Leszczynska D., Leszczynski J. (2013): Computational chemistry methods for designing safe nanomaterials. 22nd Conference on Current Trends in Computational Chemistry Jackson State University, Jackson, MS, USA, 15-16 November 2013. 

  • Puzyn T. (2013): Towards computational designing of safe nanomaterials. International Conference on Molecular Biotechnology and Innovations for Healthy Life: Bioinnovation ScanBalt Forum 2013, Intercollegiate Faculty of Biotechnology UG and MUG, Gdańsk, Poland, 16-18 October 2013.

  • Puzyn T., Gajewicz A. (2013): NanoPUZZLES Project: modelling properties, toxicity and environmental behaviour of engineered nanoparticles. Nano and Advanced Materials NAMF 2013 Warsaw University of Technology, Warszawa, Poland, 16-18 September 2013. 

  • Puzyn T., Lubiński Ł., Urbaszek P., Gajewicz A., Cronin M.T.D., Enoch S.J., Madden J.C., Leszczynska D., Leszczynski J. (2013): Towards efficient nanosafety assessment: building bridges between experiments and calculations. 2nd QNano Integrating Conference & Quality in nanosafety assessment - driving best practice and innovation, Prague, Czech Republic,  27 February - 1 March 2013. Invited lecture.

OTHER CONFERENCE PRESENTATIONS:

  • Barycki M., Sosnowska A., Jagiełło K., Gajewicz A., Kawai T., Suzuki N., Puzyn T. (2013): QSPR-based estimation of the changes of enthalpy of vaporization for halogenated dibenzo-p-dioxins and POPs analogues. International Scientific Con-ference Dioxins in the environment - science for health, Gdynia, Poland, 17-18 September 2013. Poster (M. Barycki).

Conferences 2012

INVITED LECTURES:

  • Puzyn T. (2012): Jak poprawie zbudować model QSAR? (in Polish). CHEMOMETRIA V, Zakopane, Poland, 18-21 October 2012. 

  • Puzyn T. (2012): O nanocząstkach z głową w chmurach, czyli o zrównoważo-nym rozwoju nanotechnologii (in Polish). CHEMOMETRIA V, Zakopane, Poland, 18-21 October 2012. 

  • Puzyn T., Gajewicz A., Leszczynska D., Leszczynski J. (2012): Quantitative structure-activity relationships in risk assessment of engineered nanoparticles (Nano-QSAR): Advances and Challenges. Scientific Workshops of Polish Society of Toxicology called „Nanoparticles and nanomaterials”, Łódź, Poland, 28-30 May 2012. 

 OTHER CONFERENCE PRESENTATIONS:

  • Urbaszek P., Haranczyk M., Ng E.G., Puzyn T. (2012): Charakterystyka chloro-wanych, bromowanych oraz bromo-chlorowanych kongenerów trwałych zanie-czyszczeń organicznych z wykorzystaniem metodyki C3 (combinatorial-computational-cheminformatics approach). V Konferencja “Chemometria-Metody i Zastosowania, Zakopane, Poland, 18-21 November 2012. Poster (P. Urbaszek).

  • Lubiński Ł., Urbaszek P., Gajewicz A., Puzyn T. (2012): Ocena przydatności opublikowanych danych eksperymentalnych dla nanocząstek użytecznych do modelowania QSAR (in Polish). V Konferencja “Chemometria-Metody i Zastoso-wania”, Zakopane, Poland, 18-21 November 2012. Poster (Ł. Lubiński).

  • Walker S., Jagiello K., Puzyn T. (2012): QSPR-based estimation of organic car-bon-water partition coefficient (logKoc) of brominated
    and chlorinated organic pol-lutants. Conference on Current Trends in Computational Chemistry, Jackson, USA, 9-10 November 2012.
    Poster (S. Walker).

  • Watkins M., Jagiełło K., Puzyn T. (2012): Estimation of melting points of brominat-ed and chlorinated organic pollutants. Conference on Current Trends in Computa-tional Chemistry, Jackson, USA, 9-10 November 2012. Poster (M. Watkins).

  • Jagiello K., Kawai T., Suzuki N., Puzyn T. (2012): Opracowanie zintegrowanego modelu QSPR-MM dla przewidywania losów i transport leków hormonalnych w środowisku (in Polish). CHEMOMETRIA V, Zakopane, Poland, 18-21 October 2012. Poster (K. Jagiełło).

  • Barycki M., Jagiełło K., Gajewicz A., Sosnowska A., Suzuki N., Kawai T., Puzyn T. (2012): Opracowanie modelu QSPR dla przewidywania wartości zmian entalpii przejść fazowych trwałych zanieczyszczeń organicznych (TZO) w środowisku (in Polish). CHEMOMETRIA V, Zakopane, Poland,
    18-21 October 2012. Poster (M. Barycki).

  • Sosnowska A., Barycki M., Gajewicz A., Puzyn T. (2012): Analiza podobieństwa cieczy jonowych w wielowymiarowej przestrzeni deskryptorów topologicznych (in Polish). CHEMOMETRIA V, Zakopane, Poland, 18-21 October 2012. Poster (A. Sosnowska).

  • Sikorska C., Skurski P., Puzyn T. (2012): Wysycenie energii wiązania nadmiaro-wego elektronu w układach AlnFn +1 ̅ (n=1-5) (in Polish). CHEMOMETRIA V, Za-kopane, Poland, 18-21 October 2012. Poster (C. Sikorska).

  • Schaeublin N.M., Maurer E.I., Gajewicz A., Puzyn T., Leszczynski J., Hussain S.M. (2012): Application of QSAR modeling to predict metal nanoparticle toxicity. Society of Toxicology 51st Annual Meeting, San Francisco, USA, 18-21 October 2012. Poster (N. Schaeublin).

  • Walker S., Jagiełło K., Puzyn T. (2012): QSPR-based estimation of organic car-bon-water partition coefficient (logKoc) of brominated and chlorinated organic pol-lutants. National Organization for the Professional Advancement of Black Chem-ists and Chemical Engineers, Washington, USA, 25-28 September 2012. Poster (S. Walker).

  • Watkins M., Jagiełło K., Puzyn T. (2012): Estimation of melting points of brominat-ed and chlorinated organic pollutants. National Organization
    for the Professional Advancement of Black Chemists and Chemical Engineers, Washington, USA, 25-28 September 2012. Poster (M. Watkins).

  • Jagiełło K., Urbaszek P., Gajewicz A., Haranczyk M., Puzyn T. (2012): Charakte-rystyka właściwości fizykochemicznych 1 840 951 kongenerów TZO w nowej bazie danych – PrOP’s (in Polish). I Ogólnopolska Konferencja Studentów i Dok-torantów Nauk Ścisłych “Człowiek Nauka Środowisko”, Gdańsk, Poland, 21-22 July 2012. Poster (P. Urbaszek).

  • Gajewicz A., Schaeublin N.M., Hussain S.M., Puzyn T., Leszczynski J. (2012): Badania nad możliwością zastosowania metod in silico
    w przewidywaniu cytotok-syczności wyznaczonej względem ludzkiej linii komórkowej HaCaT nanocząstek tlenków metali (in Polish).
    I Ogólnopolska Konferencja Studentów i Doktorantów Nauk Ścisłych: Człowiek – Nauka – Środowisko, Gdańsk, Poland, 21-22 July 2012.
    Poster (A. Gajewicz).

  • Jagiełło K., Urbaszek P., Gajewicz A., Haranczyk M., Puzyn T. (2012): Physico-chemical characterization of 1 840 951 congeners of Persistent Organic Pollu-tants with novel PrOPs database. 15th International Workshop on Quantitative Structure-Activity Relationships (QSAR2012),
    Tallinn, Estonia, 18-22 July 2012. Poster (K. Jagiełło).

  • Gajewicz A., Schaeublin N.M., Maurer E.I., Hussain S.M., Leszczynski J., Puzyn T. (2012): Nano-QSAR approach – accurate and efficient strategy for the citotoxi-city screening of metal oxide nanoparticles. 15th International Workshop on Quan-titative Structure-Activity Relationships (QSAR2012) in Environmental and Health Sciences, Tallinn, Estonia, 18-22 June 2012. Poster (A. Gajewicz).

  • Jagiełło K., Urbaszek P., Gajewicz A., Haranczyk M., Puzyn T. (2012): Physico-chemical characterization of 1 840 951 congeners of Persistent Organic Pollu-tants with novel PrOPs database. 15th International Workshop on Quantitative Structure-Activity Relationships (QSAR2012)
    in Environmental and Health Sci-ences, Tallinn, Estonia, 18-22 June 2012. Poster (K. Jagiełło).

  • Puzyn T., Gajewicz A., Leszczynska D., Leszczynski J. (2012): Badania nad możliwością zastosowania metod in silico w przewidywaniu toksyczności nano-cząstek tlenków metali (in Polish). Scientific Workshops of Polish Society of Toxi-cology called „Nanoparticles and nanomaterials”, Łódź, Poland, 28-30 May 2012. Poster (A. Gajewicz).

  • Jagiełło K. M., Odziomek K., Suzuki N., Kawai T., Puzyn T. (2012): Towards de-veloping QSPR-MM combined model to predict environmental fate of hormonal drugs. Society of Environmental Toxicology and Chemistry (SETAC) 6th World Congress, Berlin, 20-24 May 2012. Poster (K. Jagiełło).

  • Gajewicz A., Schaeublin, N. M., Hussain S. M., Leszczynski J., Puzyn T. (2012): Nano-QSAR modelling – efficient way of predicting the toxicity
    of metal oxide na-noparticles to human keratinocyte cell line. Society of Environmental Toxicology and Chemistry (SETAC) 6th World Congress, Berlin, Germany, 20-24 May 2012. Poster (A. Gajewicz).

  • Puzyn T., Lubinski Ł., Urbaszek P., Gajewicz A., Cronin M. T. D., Enoch S. J., Madden J. C., Leszczynska D., Leszczynski J. (2012):
    How to measure toxicity of nanoparticles to generate data useful for QSAR modelers? Society of Environ-mental Toxicology and Chemistry (SETAC) 6th World Congress, Berlin, Germany 20-24 May 2012. Poster (T. Puzyn).

  • Urbaszek P., Haranczyk M., Ng E.G., Puzyn T. (2012): The application of C3-Combinatorial-Computational-Cheminformatics approach
    to Characterize of Con-generic Libraries of Organic Pollutants. Sesja Sprawozdawcza Doktorantów Wy-działu Chemii, Gdańsk, Poland,
    9 February 2012. Poster (P. Urbaszek).

Conferences 2011

INVITED LECTURES:

  • Puzyn T., Leszczynska D., Leszczynski J. (2011): Towards the developement of Nano-QSAR models. 11th Southern School on Material Science and Computa-tional Chemistry, Jackson, USA, 28-29 August 2011.

  • Puzyn T., Leszczynska D., Leszczynski J. (2011): Towards the application of Nano-QSAR models for regulatory purposes. Society of Environmental Toxi-cology and Chemistry (SETAC) Europe 21st Annual Meeting, Milan, Italy, 15-19 May 2011.

  • Puzyn T., Leszczynska D., Leszczynski J. (2011): Towards solving large prob-lems for nano issues. Exploratory Worskhop of the European Cooperation in Science and Technology (COST) on Quantitative Nanostructure Toxicity Relationships (QNTR), 3-6 April 2011, Maastricht, Netherlands.

 OTHER CONFERENCE PRESENTATIONS:

  • Gajewicz A., Puzyn T., Rasulev B., Leszczynska D., Leszczynski J. (2011): Similarity-based characterization of the structure of nanometer-sized metal oxides. 11th Southern School on Material Science and Computational Chemistry, Jackson, USA, 28-29 August 2011. Poster (A. Gajewicz).

  • Gajewicz A., Puzyn T., Rasulev B., Leszczynska D., Leszczynski J. (2011): Minimizing risk of nanotechnology: Nano-QSAR predictions before manufacturing. 11th Southern School on Material Science and Computational Chemistry, Jackson, USA, 28-29 August 2011. Poster (A. Gajewicz).

  • Lubinski L., Rasulev B., Gajewicz A., Puzyn T., Leszczynska D., Leszczynski J. (2011): Effect of replacement of zinc by other metal atoms
    in the zinc oxide clus-ter using the PM6 method. 11th Southern School on Material Science and Compu-tational Chemistry, Jackson, USA,
    28-29 August 2011. Oral presentation (Ł. Lu-biński).

  • Lubinski L., Mostrąg-Szlichtyng A., Haranczyk M., Puzyn T. (2011): Predicting environmental behavior of chloroxanthene and chlorothioxanthene congeners on the basis of quantitative structure – property relationships. Society of Environmen-tal Toxicology and Chemistry (SETAC) Europe 21st Annual Meeting, Milan, Italy, 15-19 May 2011. Poster (A. Mostrąg-Szlichtyng).

  • Urbaszek P., Haranczyk M., Puzyn T. (2011): Screening for new dioxin-like compounds with the classification SAR model. Society of Environmental Toxicolo-gy and Chemistry (SETAC) Europe 21st Annual Meeting, Milan, Italy, 15-19 May 2011. Poster (P. Urbaszek).

  • Gaworski K., Gajewicz A., Rybacka A., Odziomek K., Haranczyk M., Puzyn T. (2011): Physicochemical characterization of mixed polybrominated / polychlorin-ated derivatives of Persistent Organic Pollutants. Society of Environmental Toxi-cology and Chemistry (SETAC) Europe 21st Annual Meeting, Milan, Italy, 15-19 May 2011. Poster (K. Gaworski).

  • Puzyn T., Gajewicz A., Rybacka A. (2011): Global vs. local models for persistent organic pollutants. Society of Environmental Toxicology
    and Chemistry (SETAC) Europe 21st Annual Meeting, Milan, Italy, 15-19 May 2011. Poster (T. Puzyn).

  • Puzyn T., Gajewicz A., Rasulev B., Michalkova A., Leszczynska D., Leszczynski J. (2011): Designing environmentally friendly nanoparticles with Nano-QSAR. So-ciety of Environmental Toxicology and Chemistry (SETAC) Europe 21st Annual Meeting, Milan, Italy, 15-19 May 2011.
    Poster (T. Puzyn).

Conferences 2010

INVITED LECTURES:

  • Puzyn T., Leszczynska D., Leszczynski J. (2010): Nano-QSARs: Advances and challenges. QSAR 2010 Conference, 14th International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences, 24-26 May 2010, Montreal, Canada. 

OTHER CONFERENCE PRESENTATIONS:

  • Gajewicz A., Haranczyk M., Puzyn T.: Predicting subcooled liquid vapor pressure of halogeenated persistent organic pollutants with QSPR: How different are chlorochinated and brominated congeners? Conference QSAR 2010 14th International Workshop on Quantitative Structure – Activity Relationships in Environmental and Health Sciences, 24 – 26 May 2010, Montreal, Canada.
  • Gajewicz A., Puzyn T., Leszczynska D., Leszczynski J.: Size – dependent quantum – mechanical descriptors of the nanometer – sized metal oxides for nano – QSAR. Conference QSAR 2010 14th International Workshop on Quantitative Structure – Activity Relationships in Environmental and Health Sciences, 24 – 26 May 2010, Montreal, Canada.
  • Puzyn T., Rasulev B., Gajewicz A., Michalkova A., Leszczynska D., Leszczynski J.: Predicting toxiCITy of metal oxides nanoparticles with quantum – mechanically – based nano – QSAR. Conference QSAR 2010 14th International Workshop on Quantitative Structure – Activity Relationships in Environmental and Health Sciences, 24 – 26 May 2010, Montreal, Canada.
  • Puzyn T., Leszczynska D., Leszczynski J.: Nano – QSAR: Advances and challenges. Conference QSAR 2010 14th International Workshop on Quantitative Structure – Activity Relationships in Environmental and Health Sciences, 24 – 26 May 2010, Montreal, Canada.
  • Gołębiowski M., Paszkiewicz M., Haliński Ł., Stepnowski P.,: HPLC of Plant Lipids. High Performance Liquid Chromatography in Phytochemical Analysis, 425 – 452. CRC Press, Tylor & Francis Group. ISBN: 9781420092608.
Conferences 2009
  • Puzyn T., Leszczynski J., Cronin M. T. D. (2009): Current status of quantitative structure – activity relationships (QSAR) models: Advances and challenges. 9th Southern School on Material Science and Computational Chemistry, Jackson, 28-29 July 2009. Invited lecture (T. Puzyn).
  • Gajewicz A., Puzyn T., Michalkova A., Rasulev B., Toropov A.A., Hu X., Hwang H.-M., Leszczynska D., Leszczynski J. (2009): Modeling the CITtoxiCITy of nano-sized metal oxides to the bacterium E. coli with GA-PLS-based QSAR method. 9th Southern School on Material Science and Computational Chemistry, Jackson, 28-29 July 2009. Poster presentation (A. Gajewicz).
  • Gajewicz A., Puzyn T., Rasulev B., Leszczynska D., Leszczynski J. (2009): At what size does the ZnO cluster adapt the properties of bulk Calculations at the level of PM6 method. 9th Southern School on Material Science and Computational Chemistry, Jackson, 28-29 July 2009. Poster presentation (A. Gajewicz).
  • Toropov A. A., Toropova A. P., Hu X., Hwang H.-M., Rasulev B., Puzyn T., Benfenati E., Leszczynska D., Leszczynski J. (2009): QSAR model of toxiCITy towards E. coli bacteria for nanosized oxides by SMILES-based optimal descriptors. Society of Environmental Toxicology and Chemistry (SETAC) Europe 19th Annual Meeting, Göteborg, May 31 – June 4, 2009. Poster presentation (A. A. Toropov).
  • Haranczyk M., Ng E., Gutowski M., Watt H., Puzyn T.: Discovering molecules of interest by Combinatorial*Computational*Chemoinformatics (C-cube) approach. Society for Industrial and Applied Mathematics, Denver, July 6-10, 2009. Oral presentation (M. Haranczyk).
  • Haranczyk M., Ng E., Gutowski M., Puzyn T. (2009): Effective extrapolation of chemical spaces through Combinatorial*Computational*Chemoinformatics (C3) approach. 42nd IUPAC Congress, Glasgow, August 2-7, 2009. Oral presentation (M. Haranczyk).