NanoBRIDGES

Building bridges between specialists on computational and empirical risk assessment of engineered nanomaterials

Agnieszka Karczyńska (UG) in National Institute for Environmental Studies (NIES) in Tsukuba

zdjI have visited the National Institute for Environmental Studies in Tsukuba (Japan) for 3 months (16.09.2014 – 15.12.2014). My work was related to the Work Package 3 Development of novel structural descriptors for nanoparticles. The aim of the research secondment was to indicate the interactions between the small sized zinc oxide nanoparticles and various proteins.

During the stay in Tsukuba in order to achieve the objective of the research was performed the following steps: the parameterization of the zinc oxide particle in the AMBER force field; modeling the small-sized zinc oxide nanoparticles on the structure of the wurtzite; modeling the systems of the proteins and the nanoparticles; performing the molecular dynamics of the systems (contains one of the proteins and one of the zinc oxide nanoparticles) in water in the AMBER force field using the AMBER software package (approx. 200ns); performing the molecular dynamics of the proteins in water in the AMBER force field using the AMBER software package (approx. 200ns); the investigation of the interactions. The results of this study shows that after the molecular dynamics the visible changes was occurred in the structure of proteins caused by the interactions with nanoparticles of zinc oxide. These results may suggest the negative impact of the zinc oxide nanoparticles on the live organisms.
In addition, I had the opportunity to improve the skills of the using the English language and learn the basics of the Japanese language.

I would like to submit my the warmest thanks to Professor Hirano and his group for all the help and for caused that this internship even more wonderful.

Coordinator

University of Gdansk
Faculty of Chemistry
ul. Wita Stwosza 63
80-952 Gdansk

European Commision