Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector.
Acta Crystallogr A Found Adv
; 72(Pt 2): 236-42, 2016 Mar.
Article
in En
| MEDLINE
| ID: mdl-26919375
ABSTRACT
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 (â¼ 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).
Key words
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Organic Chemicals
/
X-Ray Diffraction
/
Carbamazepine
/
Nanoparticles
/
Niacin
Language:
En
Journal:
Acta Crystallogr A Found Adv
Year:
2016
Document type:
Article
Affiliation country: