forthcoming articles

CryoQSeg, a novel cryo-EM particle segmentation algorithm harnessing the state-of-the-art Qwen-Image-Edit visual large model fine-tuned on the CryoPPP dataset, demonstrates outstanding particle picking and segmentation performance for cryo-EM imaging data.

We have developed a comprehensive quantitative methodology for analysing wavelength-resolved neutron transmission spectra and here demonstrate its application to metallic alloys. The approach integrates Monte Carlo simulations, which serve as a digital twin of the experiment, with NCrystal-based least-squares fitting. By using open-source software, this method resolves and quantifies trace element contributions, as demonstrated here for detecting hydrogen-equivalent concentrations below 10 wt p.p.m. in stainless steel.

This study investigates [Cu(im)₂], a zeolitic imidazolate framework (ZIF) originally discovered in the 1960s but widely overlooked, by characterizing its B polymorph with a sodalite topology. By measuring its first gas-adsorption isotherms, we demonstrate that the origins of modern ZIFs lie much earlier than previously recognized.

A new concept for high-pressure macromolecular crystallography is presented and applied to five diverse proteins.

New tools implemented in CCTBX and Phenix allow the calculation of variable resolution maps through a sum of finite-resolution atomic images expressed as analytic functions of all atomic parameters, along with their associated local resolution.