Conference Proceedings

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).

  • Sosnowska A., Puzyn T. (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)

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).