On the use of real-world datasets for reaction yield prediction
Congratulations to Andrzej and collaborators on their publication!
Radical Redox Annulations: A General Light-Driven Method for the Synthesis of Saturated Heterocycles
Izzy’s paper on a general two-component annulation strategy that provides access to a diverse collection of five- and six-membered saturated heterocycles was published in ACS Catalysis. Great work and congratulations!
A Multi-Objective Active Learning Platform and Web App for Reaction Optimization
Jose and Will’s work on the development of an open-source experimental design via Bayesian optimization platform (EDBO+) for multi-objective reaction optimization was recently published in JACS. (https://www.edbowebapp.com/) Congratulations!
Ni/Photoredox-Catalyzed C(sp3)–C(sp3) Coupling between Aziridines and Acetals as Alcohol-Derived Alkyl Radical Precursors
Sun’s paper on a novel Ni/photoredox methodology for C(sp3)–C(sp3) cross-coupling between aziridines and aliphatic alcohols activated as benzaldehyde dialkyl acetals was published in JACS. Congratulations!
Structure–Reactivity Relationships of Buchwald-Type Phosphines in Nickel-Catalyzed Cross-Couplings
Sam and Jason’s work on elucidating structure–reactivity relationships of Buchwald-type phosphines in Ni-catalyzed cross-coupling reactions was recently published in JACS. Congratulations!
Bioinspired Supercharging of Photoredox Catalysis for Applications in Energy and Chemical Manufacturing
Kassandra’s review paper on BioLEC’s contributions to the advancement of photoredox catalysis was published in Accounts of Chemical Research. Congratulations to the whole team!
Oxidative Addition of Aryl Halides to a Ni(I)-Bipyridine Complex
Stephen and Wendy’s recent work on the synthesis of a Ni(I)-bipyridine complex and its speciation and oxidative addition studies with aryl halides was published in JACS. Congratulations!
Auto-QChem: an automated workflow for the generation and storage of DFT calculations for organic molecules
Andrzej, Jason, and Ben’s work on the development of Auto-QChem, an automated software package that streamlines DFT calculations for organic molecules, was recently published in Reaction Chemistry & Engineering. Congratulations!
Using Data Science to Guide Aryl Bromide Substrate Scope Analysis in a Ni/Photoredox-Catalyzed Cross-Coupling with Acetals as Alcohol-Derived Radical Sources
Stavros, Shutian, Andrzej, Shivanni, and Jesus’ paper on a Ni/photoredox-catalyzed (deutero)methylation and alkylation of aryl halides with integration of data science techniques to quantify population-wide reactivity trends was recently published in JACS. A great team effort!
A general strategy for C(sp3)–H functionalization with nucleophiles using methyl radical as a hydrogen atom abstractor
Izzy and Makeda’ work on developing a sequential hydrogen atom transfer and oxidative radical-polar crossover strategy that transforms C(sp3)–H bonds into carbocations functionalized by a variety of nucleophiles was published in Nature Communications. Great work and congratulations!
