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 Con…
Abstract Biphenol-based ligands have proven their ability to bind titanium(IV) centers and generate sophisticated self-assembled structures in which auxiliary nitrogen ligands often complete the coordination sphere of the metal and improve stability. Here, a central 4,4′-bipyridine, which acts as…
Abstract Gd5(L)16(H2O)8](Tf2N)15 was obtained from reaction of Gd2O3 with 1-carboxymethyl-3-ethylimidazolium chloride (LHCl). The material was found to be an ionic liquid that freezes to glassy state on cooling to −30 °C. Variable-temperature magnetic studies reveal the presence of weak magnetic…
Abstract Exploration of new organometallic systems based on polyhedral boron clusters has the potential to solve challenging chemical problems such as the stabilization of reactive intermediates and transition7 state-like species postulated for E−H (E = H, B, C, Si) bond activation reactions. We…
Abstract In this joint theoretical and experimental study, the analysis of weak interligand noncovalent interactions within Co(IV) [Cp*Co(phpy)X]+ cobaltacycles (phpy = 2-phenylenepyridine, κC,N) was carried out using the the Independent Gradient Model/Intrinsic Bond Strength Index (IGM/IBSI)…
Abstract During engine tests, it has been observed that the combined use of molybdenum dithiocarbamates (MoDTC) and methylene-bis(dithiocarbamates) (MBDTC) in formulated engine oils resulted in better fuel efficiency, keeping the friction coefficient stable at low values for a longer period of time…
Abstract A copper-catalysed three-component coupling reaction between a carbonyl derivative, a terminal ynamide and an amine has been developed for the one-pot green construction of γ-amino-ynamides from simple starting materials and with a broad functional group tolerance.The…
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