A metal-free one-pot method is established for the synthesis of tetrasubstituted imidazoles from the reaction of arylmethylamines and 1,2-dicarbonyls/benzoin. The -α-C(sp)- bond functionalization of arylmethylamines using a catalytic amount of AcOH afforded polysubstituted imidazoles under aerobic conditions in significant yields of up to 95%.
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http://dx.doi.org/10.1039/d4ra03939d | DOI Listing |
Nanoscale
January 2025
Physics Department E20, School of Natural Sciences, Technical University of Munich, Garching, 85748, Germany.
-Armchair graphene nanoribbons (nAGNRs) are promising components for next-generation nanoelectronics due to their controllable band gap, which depends on their width and edge structure. Using non-metal surfaces for fabricating nAGNRs gives access to reliable information on their electronic properties. We investigated the influence of light and iron adatoms on the debromination of 4,4''-dibromo--terphenyl precursors affording poly(-phenylene) (PPP as the narrowest GNR) wires through the Ullmann coupling reaction on a rutile TiO(110) surface, which we studied by scanning tunneling microscopy and X-ray photoemission spectroscopy.
View Article and Find Full Text PDFJ Med Chem
January 2025
Department of Chemical Biology, Helmholtz Centre for Infection Research, Inhoffenstr. 7, Braunschweig 38124, Germany.
The main protease M is a clinically validated target to treat infections by the coronavirus SARS-CoV-2. Among the first reported M inhibitors was the peptidomimetic α-ketoamide , whose cocrystal structure with M paved the way for multiple lead-finding studies. We established structure-activity relationships for the series by modifying residues at the P1', P3, and P4 sites.
View Article and Find Full Text PDFChemistry
January 2025
Politecnico di Milano, Department of Chemistry, Materials, Chemical Engineer., via Mancinelli 7, 20131, Milan, ITALY.
Molecular recognition mediated by s-hole interactions is enhanced as the electrostatic potential at the σ-hole becomes increasingly positive. Traditional methods to strengthen σ-hole donor ability of atoms such as halogens often involve covalent modifications, such as, introducing electron-withdrawing substituents (neutral or positively charged) or electrochemical oxidation. Metal coordination, a relatively underexplored approach, offers a promising alternative.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, China.
Globin X is a newly discovered member of the globin family, while its structure and function are not fully understood. In this study, we performed protein modelling studies using Alphafold3 and molecular dynamics simulations, which suggested that the protein adopts a typical globin fold, with the formation of a potential disulfide bond of Cys65 and Cys141. To elucidate the role of this unique disulfide in protein structure and stability, we constructed a double mutant of C65S/C141S by mutating the two cysteine residues to serine.
View Article and Find Full Text PDFEmerg Microbes Infect
January 2025
Center for Influenza and Emerging Diseases, University of Missouri, Columbia, MO 652011, USA.
Influenza A viruses (IAVs) pose a major public health threat due to their wide host range and pandemic potential. Pigs have been proposed as "mixing vessels" for avian, swine, and human IAVs, significantly contributing to influenza ecology. In the United States, IAVs are enzootic in commercial swine farming operations, with numerous genetic and antigenic IAV variants having emerged in the past two decades.
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