Nucleophilicity and electrophilicity are important properties for evaluating the reactivity and selectivity of chemical reactions. It allows the ranking of nucleophiles and electrophiles on reactivity...

🌱🧪 Applications Open: 2025 NCCR Catalysis Young Talents Fellowship! 🔬💻 We’re excited to launch the fourth edition of our #NCCRCatalysis Young Talents…

We uncover candidates for singlet fission using a machine learning-driven uncertainty-controlled genetic algorithm (ucGA), which is run either in an exploitative or explorative manner. Leveraging a f...

About AstraZeneca AstraZeneca is a global, science-led biopharmaceutical business and its innovative medicines are used by millions of patients worldwide. AstraZeneca has long been an advocate of stud...

Histone deacetylase (HDAC) enzymes are epigenetic regulators that affect diverse protein function by removing acyl groups from lysine side chains throughout the proteome. The most recently discovered ...

The selective conversion of polyethylene (PE), polypropylene (PP), and mixtures of these two polymers to form products with high volume demand is urgently needed because current methods suffer from lo...

Steric molecular descriptors designed for machine learning (ML) applications are critical for connecting structure–function relationships to mechanistic insight. However, many of these descriptors are...

Aryl triflates make up a class of aryl electrophiles that are available in a single step from the corresponding phenol. Despite the known reactivity of nickel complexes for aryl C–O bond activation of phenol derivatives, nickel-catalyzed cross-electrophile coupling using aryl triflates has proven challenging. Herein, we report a method to form C(sp2)–C(sp3) bonds by coupling aryl triflates with alkyl bromides and chlorides using phenanthroline (phen) or pyridine-2,6-bis(N-cyanocarboxamidine) (PyBCamCN)-ligated nickel catalysts. The scope of the reaction is demonstrated with 38 examples (61 ± 14% average yield). Mechanistic studies provide a rationale for the conditions used and a roadmap for further applications of cross-electrophile coupling. First, the rate of alkyl radical generation is controlled by maintaining the majority of alkyl halide as the alkyl chloride, which is unreactive, and utilizing a dynamic halide exchange process to adjust the concentration of reactive alkyl bromide or iodide. Second, the challenge of using electron-rich aryl triflates appears to be due to off-cycle transmetalation to form unproductive aryl zinc reagents. The optimal PyBCamCN ligand together with LiCl avoids this deleterious transmetalation step.

CO2 Capture and the Race to Save Our Planet: A Breakthrough in Covalent Organic FrameworkAs a faculty member of both the University of Chicago Chemistry Department and the Pritzker School of Molecular...

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Heteroaromatics are the basis for many pharmaceuticals. The ability to modify these structures through selective core-atom transformations, or "skeletal edits", can dramatically expand the landscape f...

Shono-type oxidation to generate functionalized heterocycles is a powerful method for late-stage diversification of relevant pharmacophores; however, development beyond oxygen-based nucleophiles remai...

Traditional computational methods for molecule design are based on first principles calculation, which places a high demand on computing power. The increasingly powerful machine learning (ML) models h...

Alt: a brown bear is standing on its hind legs in a field and says `` thank you beary much '' .

Customizing the toughness of single-network polymer gels independently of their composition and topology remains an unsolved challenge. Traditionally, polymer network toughening is achieved by using s...

Staff Scientist (Polymer Synthesis)

Lawrence Berkeley National Lab’s (LBNL) Materials Science Division (MSD) has an opening for an Organic and Polymer Postdoctoral Fellow to join.....

The functionalization of C–H bonds enables the modification of complex molecules, often with the intention of forming compound libraries. The borylation of aryl C–H bonds is a widely used class of C–H...

Unsymmetrical ureas are commonly found in pharmaceuticals and bioactive compounds. However, devising strategies to introduce two distinct amines selectively in the construction of unsymmetrical ureas ...