Hypervalent iodine(III) reagents show promising properties in organic synthesis, however, the application of nitrooxyl (O2NO)-containing I(III) reagents remains underexplored. Here, the authors report the synthesis of a benziodazole-type O2NO-I(III) reagent, which can be applied to the synthesis of furazan heterocycles as a nitrating agent, by reaction with β-monosubstituted enamines via a copper-catalyzed radical nitration/cyclization/dehydration cascade.

Benzothiazinones (BTZs) are being developed as new antibiotics against the infection caused by Mycobacterium tuberculosis, however, BTZs can undergo an in vivo biotransformation to hydride-Meisenheimer complexes (HMC). Here, the authors show that HMC formation can be modulated by C-6 substitution of BTZ.

Boronate-based ß-lactamase inhibitors play an important role in treating multidrug-resistant bacteria infection, however, the molecular mechanism of inhibition remains unclear. Here, the authors use time-resolved serial crystallography to investigate the binding process by using boric acid as a model against β-lactamase CTX-M-14, revealing the binding to the active site serine within 80–100 ms, a subsequent 1,2-diol boric ester formation with glycerol within 100–150 ms, as well as the displacement of the sulfate anion in the active site.

Biomolecular condensates show distinct physicochemical properties that may affect the rate of enzymatic activity and control cellular redox reactions, however, their influence on the other types of chemical reaction remains underexplored. Here, the authors use reactive Martini simulations to probe the non-enzymatic macrocyclization reaction of benzene-1,3-dithiol in the presence of peptide condensates.

Geometric deep learning methods have the advantage of being expressive, while denoising diffusion probabilistic models have great generative power. Here, the authors introduce a geometry-complete diffusion model for effective 3D molecule generation for specific protein pockets that can also consistently optimize the geometry and chemical composition of existing 3D molecules for molecular stability and property specificity

Nuclear receptor-related 1 (Nurr1) is a promising candidate target for neurodegenerative disease treatment, however, the validation of their therapeutic potential remains underexplored due to a lack of high-quality chemical tools. Here, the authors develop Nurr1 agonists from amodiaquine by scaffold hopping and fragment growing, exhibiting nanomolar potency and efficient cellular target engagement, showing their potential as lead and chemical tools.

Extraterrestrial carbon gives insights into the origin of life and processes that took place billions of years ago in our solar system. Here, the authors provide an overview of what is known and of unanswered questions with a meteoritical focus.

Rare-earth telluride clusters enable the construction of highly crystalline rare-earth tellurides, but a general route for preparing such clusters is lacking. Now, a facile reduction approach produces rare-earth clusters supported by (poly)tellurido ligands, including a tri-tellurido ligand with a three-center, four-electron bonding structure.

The chemical reduction of group 1 metal cations to their zero-valent species is challenging. Now, a bipyridine-stabilized borate anion joins the ranks of suitable reducing agents and also proves active in the two-electron reduction of CO₂.

FAIR (findable, accessible, interoperable and reusable) data practices are necessary to expedite knowledge discovery, encourage collaboration, and optimise resource use, fostering a robust foundation for future scientific progress. Here, the authors explore the use of FAIR practices to advance materials chemistry research, examining key repositories, highlighting their role in sharing scientific data, and examining the accessibility of these approaches.

Communications Chemistry is pleased to introduce a Collection of articles focused on organomediated polymerization. Here, the Guest Editors highlight the themes within and look towards the future of this research field.