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

Rahul Balasaheb Aher (JU) at University of Gdansk, Poland

I have visited the University of GdanDSC02986sk, Poland for seven months (14.05.2014-12.12.2014) in connection with the NanoBridges Work Package-3 (Development of novel structural descriptors for nanoparticles). I have built the 7 standalone and open accessible C++ programs for the nano-QSAR modeling work. The programs are free for all (eg. Personal, academic, non-profit, non-commercial, govt, commercial etc) to use.
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Celina Sikorska (UG) in National Institute for Environmental Studies (NIES) in Tsukuba

CSikorska_fotFrom 17th November to 30th December 2014 I was seconded to National Institute for Environmental Sciences (NIES) in Tsukuba, Japan, within the NanoBRIDGES project. During this 1.5 month period I was fulfilling the WP4: Development of novel Nano-QSAR methodologies. I was hosted by fate modeling specialist – Dr. Noriyuki Suzuki and his group.

The aim of the internship at National Institute for Environmental Sciences (NIES) was to fulfill the tasks of NanoBRIDGE project (i.e. WP4 task). The main task during cooperation with NIES researchers was to learn fate modeling techniques along with the methods of their proper validation. This knowledge will allow in the future to design an integral approach in order to characterize the environmental behavior and threats caused by nanomaterials, and allow their better and more precise classification, with less labor input during screening process.

Throughout the whole period of the internship, the theory of fate modeling was constantly introduced to me. Hosting researchers explained me the exact purpose of using such models (fate models), and the course of conducting simulations with their use. They explained the structural differences between specific models which is the consequence of their different purpose. They clarified the modeling process for me, explained the mathematical mechanisms used widely in fate modeling and introduced the main rules of models validation process. They also explained, how to collect and preprocess accurate data for modeling.

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Katarzyna Odziomek (UG) in Lawrence Berkeley National Laboratory

DSC03292I stayed at the Lawrence Berkeley National Laboratory, LBNL, (Berkeley, California, USA) for 10 months – between November 2013 and August 2014). I had the privilege of working under the supervision of Dr. Maciej Haranczyk at the Department of Computational Science, Computational Research Division (CRD).

Thanks to Dr. Haranczyk, I have started a cooperation with Daniela Ushizima from the CAMERA: Center for Applied Mathematics for Energy Research Applications, an expert in image analysis and data visualization. Our goal was is to quantify the risks posed by engineered nanoparticles, particularly hydroxyapatites.

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

European Commision