Abstract The equivalence in one-electron quantum baths between the practical implementation of density matrix embedding theory (DMET) and the more recent Householder-transformed density matrix functional embedding theory has been shown previously in the standard but special case where the reference…
Abstract Upon treatment with TBAF, CF3-substituted N-allenamides were transformed into γ-sultams. Cyclic sulfonamides bearing an ene-gem-difluorinated tether could be obtained by addition of acetic acid to the ammonium salt whereas TBAF alone provided the correspondingtrifluorinated ethyl sultams.…
Abstract Cu chelation in biological systems is of interest as a tool to study the metabolism of this essential metal or for applications in the case of diseases with a systemic or local Cu overload, such as Wilson's or Alzheimer's disease. The choice of the chelating agent must meet several…
Abstract Copper (Cu) is essential for most organisms, but it can be poisonous in excess, through mechanisms such as protein aggregation, trans-metallation and oxidative stress. Latter could implicate the formation of potentially harmful Reactive Oxygen Species (ROS: O2•–, H2O2 and HO•) via the…
Abstract In the field of noncovalent interactions, chalcogen bonding (ChB) involving the tellurium atom is currently attracting much attention in supramolecular chemistry and in catalysis. However, as a prerequisite for its application, the ChB should be studied in solution to assess its formation…
Abstract Telluronium salts bearing electron-withdrawing groups were prepared, and their ability to drive chalcogen bonds with ketones and imines was demonstrated in the solid state and in solution. These strong σ-hole bond donors were able to efficiently catalyze the Povarov reaction through…
Abstract Eukaryotic life appears to have flourished surprisingly late in the history of our planet. This view is based on the low diversity of diagnostic eukaryotic fossils in marine sediments of mid-Proterozoic age (around 1,600 to 800 million years ago) and an absence of steranes, the molecular…
Abstract A multi-responsive receptor consisting of two (acridinium-Zn(II) porphyrin) conjugates has been designed. The binding constant between this receptor and a ditopic guest has been modulated (i) upon addition of nucleophiles converting acridinium moieties into the non-aromatic acridane…
Abstract Lipid biomarkers, such as the various bacteriohopanetetrol (BHT) isomers studied here, are useful tools in tracing bacterially mediated nitrogen and carbon cycle processes affecting greenhouse gas emissions, including the anaerobic oxidation of ammonia. Three BHT isomers occur commonly in…
Abstract A bipyridine-strapped porphyrin was prepared using a remote template effect of alkali or transition metal cations in the bipyridine subunit to enhance the yield 10-fold. The flexibility of the bipyridine-strap also allowed the synthesis of a doubly strapped porphyrin.
Abstract Six- and seven-membered cyclic hydroxamic acids are found as terminal binding units in different families of siderophores, including exochelins and mycobactins. The simplest models of these preorganized chelating ligands were known, but their coordination chemistry with Fe3+, the target…
Abstract The performance of six newly synthesized benzo[h]quinoline-derived acetonitrilo pentamethylcyclopentadienyl iridium(III) tetrakis(3,5-bis-trifluoromethylphenyl)borate salts bearing different substituents -X (-OMe, -H, -Cl, -Br, -NO2 and –(NO2)2) on the heterochelating ligand…
Nouvel ouvrage paru aux éditions Atlande pour Vincent Robert (équipe LCQS, Institut de Chimie de Strasbourg, UMR 7177), où les auteurs discutent de la "Compléxité": https://www.atlande.eu/forum/989-matiere-et-complexite-9782350308753.html Contact Vincent Robert, équipe LCQS, Institut de Chimie…
Abstract Carbonylmetallates [m]−, such as [MoCp(CO)3]−, [Mn(CO)5]−, [Co(CO)4]−, have long been successfully used in the preparation of hundreds of metal-metal bonded carbonyl complexes and clusters, in particular of the heterometallic type. We focus here on situations where [m]− can be viewed as a…
Abstract: This article covers 50 years of coordination chemistry of transition metal complexes and metal-sulfur aggregates involving thiolate-incorporating ligands by reviewing selected examples. The studies in the coordination chemistry of sulfur-rich ligands have been undoubtedly triggered and…
Abstract α-Pyridyl thiosemicarbazones (TSC) such as Triapine (3AP) and Dp44mT are a promising class of anticancer agents. Contrary to Triapine, Dp44mT showed a pronounced synergism with CuII, which may be due to the generation of reactive oxygen species (ROS) by Dp44mT-bound CuII ions. However, in…
Abstract The redox activity of Cu ions bound to the amyloid-β (Aβ) peptide is implicated as a source of oxidative stress in the context of Alzheimer's disease. In order to explain the efficient redox cycling between Cu(II)-Aβ (distorted square pyramidal) and Cu(I)-Aβ (digonal) resting states, the…
Abstract We report herein a domino reaction to construct 2-amido-5-fluoropyrroles from CF3-substituted N-allenamides. The in situ generated gem-difluorinated ene-ynamides derived from CF3-substituted N-allenamides, when subjected to silver catalysis with a primary amine, undergo simultaneous…
Abstract 3,3',3''-(Benzene-1,3,5-triyl)tris(1-phenyl-1H-benzo[e][1], [2], [4]triazin-4-yl) (1) is a C3-symmetrical triradical comprised of three Blatter radical units connected at the 1, 3, 5 positions of a central trimethylenebenzene core. This triradical has an excellent air, moisture, and…
