Computational approaches streamlining drug discovery

AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …

Electrochemical late-stage functionalization

Y Wang, S Dana, H Long, Y Xu, Y Li… - Chemical …, 2023 - ACS Publications
Late-stage functionalization (LSF) constitutes a powerful strategy for the assembly or
diversification of novel molecular entities with improved physicochemical or biological …

CO2-mediated organocatalytic chlorine evolution under industrial conditions

J Yang, WH Li, HT Tang, YM Pan, D Wang, Y Li - Nature, 2023 - nature.com
During the chlor-alkali process, in operation since the nineteenth century, electrolysis of
sodium chloride solutions generates chlorine and sodium hydroxide that are both important …

A Paradigm Shift in Catalysis: Electro-and Photomediated Nickel-Catalyzed Cross-Coupling Reactions

MD Palkowitz, MA Emmanuel… - Accounts of Chemical …, 2023 - ACS Publications
Conspectus Transition-metal catalyzed cross-coupling reactions are fundamental reactions
in organic chemistry, facilitating strategic bond formations for accessing natural products …

Nickel Catalysis via SH2 Homolytic Substitution: The Double Decarboxylative Cross-Coupling of Aliphatic Acids

AV Tsymbal, LD Bizzini… - Journal of the American …, 2022 - ACS Publications
Cross-coupling platforms are traditionally built around a sequence of closed-shell steps,
such as oxidative addition, transmetalation, and reductive elimination. Herein, we describe a …

Nickel-catalyzed enantioselective electrochemical reductive cross-coupling of aryl aziridines with alkenyl bromides

X Hu, I Cheng-Sánchez… - Journal of the …, 2023 - ACS Publications
An electrochemically driven nickel-catalyzed enantioselective reductive cross-coupling of
aryl aziridines with alkenyl bromides has been developed, affording enantioenriched β-aryl …

Overcoming the limitations of Kolbe coupling with waveform-controlled electrosynthesis

Y Hioki, M Costantini, J Griffin, KC Harper, MP Merini… - Science, 2023 - science.org
The Kolbe reaction forms carbon-carbon bonds through electrochemical decarboxylative
coupling. Despite more than a century of study, the reaction has seen limited applications …

Comproportionation and disproportionation in nickel and copper complexes

CS Day, R Martin - Chemical Society Reviews, 2023 - pubs.rsc.org
Disproportionation and comproportionation reactions have become increasingly important
electron transfer events in organometallic chemistry and catalysis. The renewed interest in …

Facile and general electrochemical deuteration of unactivated alkyl halides

P Li, C Guo, S Wang, D Ma, T Feng, Y Wang… - Nature …, 2022 - nature.com
Herein, a facile and general electroreductive deuteration of unactivated alkyl halides (X= Cl,
Br, I) or pseudo-halides (X= OMs) using D2O as the economical deuterium source was …

Interrogating the mechanistic features of Ni (I)-mediated aryl iodide oxidative addition using electroanalytical and statistical modeling techniques

T Tang, A Hazra, DS Min, WL Williams… - Journal of the …, 2023 - ACS Publications
While the oxidative addition of Ni (I) to aryl iodides has been commonly proposed in catalytic
methods, an in-depth mechanistic understanding of this fundamental process is still lacking …