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…
Abstract Two novel compounds isolated from an amber sample from the Santonian of Piolenc (Vaucluse, SE France) were identified using nuclear magnetic resonance and high-resolution mass spectrometry as sulfurized analogues of diterpenic acids from the isopimaric series originating from ancient…
Abstract We report the synthesis of new vanadyl porphyrins bearing peripheral coordination sites. By using palladium(II) or platinum(II) as connecting ions, porphyrin dimers were isolated and characterized by X-ray crystallography. These paramagnetic species were studied by electronic spectroscopy…
Abstract A [2]rotaxane built around a multi-responsive bis-acridinium macrocycle has been synthesized. Structural investigation has confirmed the interlocked nature of the molecule, and MD simulations illuminated its conformational dynamics with atomic resolution. Both halochromic and…
Abstract Recently, some of the authors introduced the use of the Householder transformation as a simple and intuitive method for embedding local molecular fragments [see Sekaran et al., Phys. Rev. B 104, 035121 (2021) and Sekaran et al., Computation 10, 45 (2022)]. In this work, we present an…
Abstract Elaboration of new engine oil specifications and growing level of environmental awareness have been calling for better fuel efficiency and reduction of carbon emissions. In this context, molybdenum dithiocarbamates (MoDTC) are important lubricant additives used to reduce friction…
Abstract A ß-cyclodextrin-based diphosphane with metal confining properties was efficiently synthesized thanks to an unprecedented Smiles-like rearrangement of 1-diphenylphosphino-2-phosphinobenzene in the presence of excess n-BuLi. The cis-chelating bidentate ligand is capable of forming very…
Regarding the POMAM's article "A Magnetocaloric Glass from an Ionic-Liquid Gadolinium Complex" recently published in ChemPhysChem with a cover feature (https://doi.org/10.1002/cphc.202200356). The Institute of Chemistry is pleased to inform you that this work has also been selected to appear in the…
Comprehensive Organometallic Chemistry IV (Fourth Edition) N-Heterocyclic Carbene Complexes of Nickel Volume 8, 2022, Pages 427-574 - DOI: https://doi.org/10.1016/B978-0-12-820206-7.00118-9 Ligielli Irene, Danopoulos Andreas A., Braunstein Pierre and Simler Thomas Abstract The impact of…
Comprehensive Organometallic Chemistry IV (Fourth Edition) N-Heterocyclic Carbene Complexes of Cobalt Volume 7, 2022, Pages 632-758- DOI: https://doi.org/10.1016/B978-0-12-820206-7.00109-8 Simler Thomas, Danopoulos Andreas A. and Braunstein Pierre Abstract N-heterocyclic carbenes (NHCs) have…
Abstract The two-faced reactivity of N-allenamides allows regio-and stereo-controlled functionalization on the a-, b- and γ-positions of the nitrogen atom. The contingency to obtain either proximal or distal adducts, makes those substrates essential for the construction of complex heterocyclic…
Abstract The progressive, neurodegenerative Alzheimer's disease (AD) is the most widespread dementia. Due to the ageing of the population and the current lack of molecules able to prevent or stop the disease, AD will be even more impactful for society in the future. AD is a multifactorial disease,…
Abstract Copper (Cu) in its ionic forms is an essential element for mammals and its homeostasis is tightly controlled. Accordingly, Cu-dyshomeostasis can be lethal as is the case in the well-established genetic Wilson's and Menkes diseases. In Alzheimer's disease (AD), Cu-accumulation occurs in…
Tweet The IFM team in collaboration with researchers at Institut Pasteur found that ions travel through lateral fenestrations in the extracellular domain of synaptic receptors to cross the post-synaptic membrane. This discovery contradicts the conventional textbook model of ion permeation at…
Abstract Miniaturized NMR (Nuclear Magnetic Resonance) devices are a trend in the industry because they allow a flexible use within a range of applications that would be otherwise not feasible with standard NMR equipment. However, one of the main obstacles in the development of miniaturized NMR…
The Institute of Chemistry is pleased to inform you that the LCQS team has recently contributed to a new article entitled “DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science” published in Phys. Chem. Chem. Phys.: https://doi.org/10.1039/D2CP02827A …
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