Results 311 to 320 of about 463,070 (411)

Computational Study of Alkyne‐Acid Cycloisomerization in Gold‐Functionalized Resorcinarene Cavitand

open access: yesChemistry – A European Journal, Volume 31, Issue 20, April 4, 2025.
The binding and cycloisomerization of acetylenic acids to give the corresponding γ‐lactones in a gold‐functionalized resorcinarene‐based cavitand are studied by means of density functional theory calculations. The reaction mechanism and selectivity are investigated for substrates with different substituents to assess the size‐reactivity relationships ...
Joannes Peters, Fahmi Himo
wiley   +1 more source

Synthesis of 2‐(Trifluoromethyl)Azetidines by Strain‐Release Reactions of 2‐(Trifluoromethyl)‐1‐Azabicyclo[1.1.0]Butanes

open access: yesChemistry – A European Journal, EarlyView.
2‐(Trifluoromethyl)‐1‐azabicyclo[1.1.0]butanes, available by diastereoselective cyclopropanation of 2‐(trifluoromethyl)‐2H‐azirines, can be successfully involved in strain‐release ring‐opening processes, as illustrated by their reaction with benzyl chloroformate, trifluoroacetic anhydride or palladium‐catalyzed hydrogenolysis.
Anaïs Scuiller   +7 more
wiley   +1 more source

Susceptible‐infected‐recovered model with stochastic transmission

open access: yesCanadian Journal of Statistics, Volume 53, Issue 2, June 2025.
Abstract The susceptible‐infected‐recovered (SIR) model is the cornerstone of epidemiological models. However, this specification depends on two parameters only, which results in its lack of flexibility and explains its difficulty to replicate the volatile reproduction numbers observed in practice.
Christian Gouriéroux, Yang Lu
wiley   +1 more source

Is Mycobacterial InhA a Suitable Target for Rational Drug Design?

open access: yesChemMedChem, EarlyView.
InhA is the target of isoniazid, a first‐line antituberculosis drug. Isoniazid is, in fact, a prodrug that needs to be activated. Researchers are trying to develop direct inhibitors of InhA. This includes the resolution of crystallographic structures. The Protein Data Bank contains over a hundred InhA structures.
Julien Rizet   +7 more
wiley   +1 more source

Home - About - Disclaimer - Privacy