The journal Nature Nanotechnology has published an article entitled Representing and describing nanomaterials in predictive nanoinformatics, co-authored by dr Alicja Mikołajczyk and dr inż. Karolina Jagiełło and prof. dr hab. Tomasz Puzyn from the Laboratory of Environmental Chemoinformatics, Department of Chemistry, University of Gdańsk. The paper was written on the initiative of the UG scientists as part of scientific cooperation in the European projects NanoInforaTIX, NanoSolveIT and PATROLS.
The paper aimed to find an answer to the question: How can the complex structure of advanced nanomaterials be properly described using the tools of chemistry and nanoinformatics? The proposed concept enables a full description of the structure of advanced nanomaterials, taking into account its dysregulation and change depending on environmental conditions.
- 'Although it is only a review paper, journals such as Nature require proposing new and scientifically important concepts that respond to current research challenges,' - says prof. dr hab. Tomasz Puzyn. - 'Our work is an important step in modern computational nanotoxicology. This is because it will enable an even better understanding of the influence of the structure of nanomaterials on their toxicity, including toxicity at the molecular level,' - he explains.
The published paper is already the third publication in Nature Nanotechnology by this scientific team dedicated to the computer-aided prediction of nanomaterial toxicity.
The Faculty of Chemistry is launching Digital Chemistry, a new specialisation in the Chemistry (second degree) course, in the academic year 2022/2023. Students will learn to use computer methods to predict the properties of chemical compounds and new materials.