Member's Voice
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- Robert Szilagyi
- Current Affiliation :
University of British Columbia, Okanagan Campus (Associate Professor, T1P Research Chair) - Country/Region :
Canada - Name : Robert Szilagyi
I was thrilled to be able to work with Prof. Tachikawa Masanori at Yokohama City University as part of the January 2024 Sakura Science program on computational simulations of nuclear quantum effects related to peptide bond formation. In general, condensation reactions in aqueous media where the elimination step is water formation, is energetically and entropically challenging processes, while essential in biological systems and environmental chemistry. We are particularly interested in amino acid condensation reaction that were critical reactions for the spontaneous emergence of proto-enzymes at the dawn of Emergence of Life in deep geological time (about 3.8 billion years ago). We have already carried out conventional quantum calculations and identified a network of proton transfer pathways (DOI: 10.1039/d3ob00410d) that as a complex highway system can be travelled differently under different chemical environments. Before expanding the computational models with salt ions, presence of hydronium and hydroxide ions (pH effect), temperature, and pressure, the Sakura Science program allowed us to elevated the computational chemistry accuracy we employ. Prof. Masanori and his research group members are guiding us with the protonic wavefunction that is expected to open up new dimensions in studying these fascinating reactions. In addition, we formed scientific partnership with Thai participants also attending the Sakura Science event. I am personally looking forward to welcoming them to my home university of The University of British Columbia, Okanagan campus in Kelowna, BC during the autumn of 2024.