Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector.

Autor: Barentsen, K. C., Pannu, N. S., van Genderen, E., Clabbers, M. T. B., Abrahams, J. P., Nederlof, I., Das, P. P., Nicolopoulos, S., Portillo, Q., Stewart, A., Gruene, T.
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Zdroj: Acta Crystallographica. Section A, Foundations & Advances; Mar2016, Vol. 72 Issue 2, p236-242, 6p
Abstrakt: Until recently, structure determination by transmission electron microscopy of beam-sensitive three-dimensional nanocrystals required electron diffraction tomography data collection at liquid-nitrogen temperature, in order to reduce radiation damage. Here it is shown that the novel Timepix detector combines a high dynamic range with a very high signal-to-noise ratio and single-electron sensitivity, enabling ab initio phasing of beam-sensitive organic compounds. Low-dose electron diffraction data (∼0.013 e Å−2 s−1) were collected at room temperature with the rotation method. It was ascertained that the data were of sufficient quality for structure solution using direct methods using software developed for X-ray crystallography ( XDS, SHELX) and for electron crystallography ( ADT3D/ PETS, SIR2014). [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index