Electron Diffraction and Quantum Crystallography

Paulina Maria Dominiak

University of Warsaw, Faculty of Chemistry, Biological and Chemical Research Centre, ul. Żwirki i Wigury 101, 02-089 Warszawa, Poland,

e-mail: pdomin@chem.uw.edu.pl

This lecture will explore how combining electron diffraction with quantum crystallography can reveal hidden details in molecular structures. Using cryo-EM and three-dimensional electron diffraction (3D ED), scientists can now create detailed maps of a molecule’s electrostatic potential. These maps show not only the positions of atoms but also small differences in charge density that provide clues about protonation, oxidation, and chemical bonding. Focusing on both complex protein structures and small organic molecules, the lecture will explain how adapting electron density models from X‑ray diffraction to electron-based techniques can transform our understanding of molecular interactions and structures on the nanoscale.

The National Science Center, Poland, provided the funding for the research presented in this work under the grants 2020/39/I/ST4/02904, 2017/27/B/ST4/02721 and 2024/53/B/ST4/02777.