A Mononuclear Scenario for the Copper‐Catalyzed Monooxygenation of Phenolic Substrates
ABSTRACT Whereas a dinuclear pathway applies to the monooxygenation of phenols by the type 3 copper enzyme tyrosinase, a mononuclear pathway has been identified for the same reaction in corresponding small‐molecule systems. DFT calculations of five copper model complexes reveal that the latter mechanism is energetically feasible, identifying all ...
Alexander Koch +3 more
wiley +1 more source
An integrative structural biology approach reveals the dynamic organization of the R2SP quaternary chaperone complex. [PDF]
Santo PE +17 more
europepmc +1 more source
Alkene Hydrogenation by a Cationic, Nine‐Coordinate Molybdenum(VI) Pentahydride Catalyst
While late 3d metals dominate efforts to replace precious metals in homogeneous hydrogenation, molybdenum has remained largely ignored. This work reveals that a nine‐coordinate pentahydrido molybdenum complex can hydrogenate a broad range of alkenes efficiently, demonstrating that early‐metal polyhydrides can serve as genuine catalysts rather than mere
Arno Estival +9 more
wiley +1 more source
A2.4Cr8Te14$A_{2.4}{\rm Cr}_{8}{\rm Te}_{14}$ (A = Rb, Cs) compounds exhibit a layered, ladder‐like Cr‐Te framework uniting structural motives of hollandite‐like and delafossite‐like phases. Alkali atoms are situated both in the interlayer space and tunnels within the Cr8Te14${\rm Cr}_{8}{\rm Te}_{14}$ framework.
Kai D. Röseler +2 more
wiley +1 more source
Carbon Source Flexibility in Chlamydomonas reinhardtii: Impact of Glycolate on Mixotrophic Growth. [PDF]
Cavallari E +5 more
europepmc +1 more source
Bayesian Optimization of Solvent‐Free Thermal Amidation via Reactive Extrusion
Thermal amidation between a carboxylic acid and an amine was successfully conducted in an extruder in the absence of solvent, coupling agent, or catalyst, relying on an adapted Bayesian Optimization protocol. Active pharmaceutical ingredient moclobemide was synthesized on a larger scale, achieving excellent yield and low Process Mass Intensity (PMI ...
Matthieu Lavayssiere +2 more
wiley +1 more source
Non-linear relationships between lifetime unemployment exposure, major health outcomes and all-cause mortality: a retrospective and prospective study in a large population-based French cohort. [PDF]
Sanchez Rico M +7 more
europepmc +1 more source
Visible‐light irradiation of nitro‐perylenediimide in the presence of triphenylphosphine reveals an unexpected pathway competing with the classical Cadogan cyclization. Mechanistic investigations uncover the rapid and selective formation of bay‐functionalized 1‐iminophosphorane‐12‐hydroxy perylenediimide derivatives.
Manuel Pedrón Laserna +2 more
wiley +1 more source
Accuracy and Scaling Factors of Non-Empirical Double-Hybrid Density Functionals for Harmonic and Fundamental Frequencies (And ZPVE). [PDF]
Miguel B +4 more
europepmc +1 more source

