Research group implementing the 1st part of the Project

GROUP LEADER
GROUP LEADER

Prof. Piotr Paneth
Scientific Affairs Director

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Orcid 0000-0002-3091-8387Orcid 0000-0002-3091-8387
Prof. Piotr Paneth graduated from the Faculty of Chemistry of the Lodz University of Technology, where he also defended his doctorate and obtained his habilitation. In 1996 he obtained the title of professor. He completed long-term postdoctoral fellowships at the Department of Chemistry, University of Wisconsin – Madison (2.5 years) and Department of Biochemistry, University of Nebraska – Lincoln (2.5 years) in the USA. He was visiting professor at the University of Minnesota (USA), Emory University (USA), Uppsala University (Sweden), University of Nantes (France) and Kyoto University (Japan). He was a scholarship holder of the Svenska Institutet (Sweden), the Fulbright Program (USA), the French CNRS, and the Japanese JSPS program. He was the Dean of the Faculty of Chemistry and Vice-rector for science at the Lodz University of Technology. He is a member of the scientific councils of the Center for Molecular and Macromolecular Research of the Polish Academy of Sciences (vice-chairman) and the Polish Mother’s Health Institute. He is the author of over 170 publications and monographs. His scientific interests focus on the mechanisms of chemical and biochemical reactions, using mainly isotope effects and molecular modeling.

THE SCOPE OF THE RESEARCH

In the first part of the Project two main scientific goals were addressed. The first started with computer simulations of mixtures of biopolymers with Active Pharmaceutical Ingredients (APIs); e.g., cellulose, hyaluronic acid (20%), taurine (5%) aimed at the design of formulations for the HTE technique. Short-time atomistic MD simulations were run and coarse-grained models prepared to be subjected to a long time Monte Carlo Dynamic Lattice Liquid (DLL) calculations at ARUZ. Surprisingly unusual results prompt us to study the interaction between di-sugars (glucose, hyaluronic acid, HCP, chitosan, heparin) in terms of energetics of their complexation and interactions with proteins. In the second goal, theoretical guidance for the improvement of compounds to be used in the RNA-inspired polymer degradation has been addressed. It included studies of the mechanism of polymers carrying a phosphoester moiety as a breaking point – the influence of the length of the pendant on the reaction rate has been investigated. Furthermore, the predictions of the ratio of the cyclization/cleavage rates for different moieties used as a breaking point have been performed.