forthcoming articles

The following articles are a selection of those recently accepted for publication in IUCrJ.

See also Forthcoming articles in all IUCr journals.

Accepted 16 November 2022

Novel multi-component crystals of berberine with improved pharmaceutical properties

Simultaneous improvements in stability and solubility of six novel multi-component solid forms synthesized via the reactive crystallization of 8-hydroxy-7,8-dihydroberberine with a number of pharmaceutical acids were observed in comparison with the commercial form of berberine. The factors affecting solubility were determined to be cumulative contributions of the affinity of the counter-ion to the solvent, the packing index, intermolecular interactions, the molar ratio of drug to counter-ion in the product and the common ion effect.

Accepted 3 November 2022

Learning to automate cryo-electron microscopy data collection with Ptolemy

Ptolemy uses deep learning and computer vision to automate multi-scale targeting in cryoEM data collection. It accurately finds and ranks targets of interest (`squares' and `holes') at successive magnification levels and generalizes across samples and microscopes.

Accepted 3 November 2022

Fully automated multi-grid cryoEM screening using Smart Leginon

Smart Leginon leverages new machine-learning algorithms together with new microscope and image-handling algorithms to enable unattended, multi-grid cryoEM screening. Smart Leginon Autoscreen reduces microscope operator time from ∼6 h to <10 min for a typical session and recovers substantial idle microscope time outside of normal working hours.


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