スペラファーマが協賛する第2回MicroED/3D EDユーザーズミーティングが開催。製薬研究の最新知見が共有される予定です。

スペラファーマが協賛する第2回MicroED/3D EDユーザーズミーティングが開催。製薬研究の最新知見が共有される予定です。

We present an algorithm for unit-cell determination from a set of randomly oriented electron diffraction patterns and demonstrate its performance for two known structures (copper perchlorophthalocyanine and lysozyme) and one as-yet uncharacterized structure.

In this work, nanocrystals of a robust switchable SCO-MOF are successfully synthesized using a sonication strategy. Microcrystal Electron Diffraction (MicroED) confirmed the preservation of structura...

Mechanochemical synthesis provides access to clean, effective, and rapid synthesis of 2D van der Waals MOFs [Ln(MeCOO)(PhCOO)2] (1Eu, 2Eu, 2Tb). The method also allows easy access to heterometallic analogue 2LaTb. All samples are obtained as nanosized crystals, and 1Eu has been characterized by electron crystallography (3D-ED). Thus, mechanochemistry and 3D-ED is a winning combination for the clean synthesis of 2D MOFs that can be upscaled to multigram synthesis.

With an increasing number of refined MicroED structures available to the community, lessons can be learned of their profiles and quality, as well as of best practices.

Three examples of data processing of chemical crystallography 3D ED rotation data using the DIALS package are presented. These examples are taken from a standard transmission electron microscope, and from two commercial instruments, each equipped with a low-noise pixel array detector optimized for diffraction studies.

With the currently avalaible 3D ED data it is possible to observe details of electrostatic potential deformations due to chemical bonding in organic crystals. The deformation signal is strong enough to see the benefits of using a more accurate potential model (TAAM) in achieving a better fit of the model to the experimental data.