Summary Nitro compounds are known to change reaction rates and kinetic concentration dependence of Brønsted‐acid‐catalyzed reactions. Yet, no mechanistic model exists to account for these observations. Herein we present an atomistic model for the catalytically active form for an alcohol…
Summary Glycine receptors (GlyR) mediate fast inhibitory neurotransmission in the brain and have been recognized as key pharmacological targets for pain. We have collected 218 unique chemical entities with documented modulatory activities at the GlyR and built a database named GRALL. This…
Abstract Previously reported ferromagnetic triangles (NnBu4)2[Cu3(μ‐Cl)2(μ‐4‐NO2‐pz)3Cl3] (1), (PPN)2[Cu3(μ‐Cl)2(μ‐pz)3Cl3](2), (bmim)2[Cu3(μ‐Cl)2(μ‐pz)3Cl3] (3) and newly reported (PPh4)2[Cu3(μ‐Cl)2(μ‐4‐Ph‐pz)3Cl3] (4) were studied by magnetometry, Electron Paramagnetic Resonance (EPR)…
Abstract Anaerobic ammonium oxidation (anammox) is a major process of bioavailable nitrogen removal frommarine systems. Previously, a bacteriohopanetetrol (BHT) isomer, with unknown stereochemistry, elut-ing later than BHT when examined by high performance liquid chromatography (HPLC), was…
Abstract The copper(I)‐exchanged zeolite CuI‐USY proved to efficiently catalyze the direct azidation of arylboronic acids with sodium azide under simple and practical conditions, namely at room temperature under air with methanol as solvent and without any additive. This easy‐to‐prepare and cheap…
Abstract Bacteria and Eukarya organize their plasma membrane spatially into domains of distinct functions. Due to the uniqueness of their lipids, membrane functionalization in Archaea remains a debated area. A novel membrane ultrastructure predicts that monolayer and bilayer domains would be…
Abstract The measurement of exchangeable Cu2+ levels in biological samples is gaining interest in the context of copper-related pathologies. Here, we report a Tb3+ luminescent turn-off sensor for Cu2+ based on the specific and suitable-affinity Xxx-Zzz-His (ATCUN) peptide motif, enabling Cu2+…
Abstract The pentamethylcyclopentadienyl N‐heterocyclic carbene nickel complex [Ni(η 5 ‐C 5 Me 5 )Cl(IMes)] (IMes = 1,3‐dimesitylimidazol‐2‐ylidene) efficiently catalyses the anti‐Markovnikov hydroboration of alkenes with catecholborane in the presence of a catalytic amount of potassium tert…
Abstract Two (so‐called left and right) variants of N‐centered ensemble density‐functional theory (DFT) are presented. Unlike the original formulation of the theory, these variants allow for the description of systems with a fractional electron number. While conventional DFT for open systems uses…
Abstract Copper-complexes are of medicinal and biological interest, including as anticancer drugs designed to cleave intracellular biomolecules via O2 activation. To exhibit such activity, the copper complex must be redox-active and resistant to dissociation. Metallothioneins (MTs) and glutathione…
Abstract IspH/LytB, an oxygen‐sensitive [4Fe‐4S] enzyme, catalyzes the last step of the methylerythritol phosphate (MEP) pathway, a target for the development of new antimicrobial agents. This metalloenzyme converts (E)‐4‐hydroxy‐3‐methylbut‐2‐en‐1‐yl diphosphate (HMBPP) into the two isoprenoid…
Abstract A series of three new polyoxometalate/spiromolecule compounds – including the (TBA)3[AlMo6-SN] (SN = spironaphthoxazine) and (TBA)3[AlMo6-SP] (SP = spiropyran) Anderson-type polyoxometalates (POMs) and the unprecedented (TBA)5[P2W15V3-SP] Dawson-type species – has been synthesized and…
Abstract Mounting evidence supports the role of amyloidogenesis, oxidative stress, and metal dyshomeostasis in the development of neurodegenerative disorders. Parkinson's Disease is characterized by α-Synuclein (αSyn) accumulation and aggregation in brain regions, also promoted by Cu2+. αSyn is…
Abstract The widely distributed aromatic di- and triterpenoids from higher plants occurring in sediments are formed by diagenetic microbial processes affecting their precursor plant lipids. These compounds and their stable isotopic composition (δ13C and δ2H) have the potential to be used for…
Abstract Birch bark tar, an organic material frequently encountered during archaeological excavations, has been identified from its lipid composition on the cracks of a ceramic dated to the late Neolithic. Lipids of this black substance were dominated by a characteristic triterpenoid assemblage of…
Abstract Mononuclear chromium(III) complexes of formula mer-[CrIIICl3(pz*H)3] (pz*H = pyrazole (pzH), and substituted pyrazoles: 3-Me-pzH, 4-Me-pzH, 4-Cl-pzH, 4-Br-pzH, 4-I-pzH) and trans-[CrIIICl2(pzH)4]Cl were synthesized from reactions of CrCl3 hydrate and pyrazole ligands and…
Regarding the article “Polyanisotropic magnetoelectric coupling in an electrically controlled molecular spin qubit” recently published in JACS, the Institute of Chemistry is pleased to inform you that the POMAM group's artwork has also been selected to appear on the front cover of JACS, Volume 141,…
Abstract MHC class II receptors carry important function in adaptive immunity and their malfunctioning is associated with diabetes type I, chronic inflammatory diseases and other autoimmune diseases. The protein assembles from the DQ alpha-1 and DQ beta-1 subunits where the transmembrane domains…
Abstract The major histocompatibility complex class II (MHC II) membrane proteins are key players in the adaptive immune response. An aberrant function of these molecules is associated with a large number of autoimmune diseases such as diabetes type I and chronic inflammatory diseases. The MHC…
Abstract Two molecular spin triangles are studied with pulsed Electron Paramagnetic Resonance (EPR) spectroscopy to assess their magnetoelectric (ME) couplings. [Fe3O(PhCOO)6(py)3]ClO4·py (Fe3) is characterized by strong Dzyaloshinskii-Moriya interactions (DMI) which induce important…
