Research of the Electron Crystallography group awarded with a cover by Crystal Growth and Design journal
Pisa, 18 May, 2021 -The journal Crystal Growth and Design has awarded the paper “Crystal Structure of Linagliptin Hemihydrate Hemiethanolate (C25H28N8O2)2(H2O)(C2H5OH) from 3D Electron Diffraction Data,Rietveld Refinement, and Density Functional Theory Optimization” with a cover (see below). The research is an international collaboration between the Electron Crystallography group lead by Mauro Gemmi, the Nanomegas company, and the International Center for Diffraction Data (ICDD) and reports one of the largest pharmaceutical compounds ever solved with 3D electron diffraction (3D ED). Linagliptin, a potent dipeptidyl peptidase-4 (DPP-4) inhibitor that is used with diet and exercise to treat type-2 (non-insulin-dependent) diabetes, has 70 non hydrogen atom in the asymmetric unit, whose position has been determined ab-initio by 3D ED on crystals smaller than one micron! A real record in the field.