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Recent publications

Mar 26 2020

Chemistry Eur. J. [LCSOM]

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 ‐butoxide, and joins the very exclusive club of nickel catalysts for this important transformation....[more]

Mar 23 2020

Int. J. of Quantum Chemistry [LCQ]

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 only the true electron density as basic variable, left/right N‐centered ensemble DFT relies...[more]

Mar 3 2020

Angew. Chem. Int. Ed. [BCB]

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 (GSH) are abundant in the cytosol and nucleus. Because they also are thiol-rich reducing molecules...[more]

Jan 21 2020

Chemistry Eur. J. [CBAT/RMN]

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 precursors: isopentenyl diphosphate (IPP) and dimethylallyl diphosphate (DMAPP). Here, the synthesis...[more]

Jan 13 2020

J. Mat. Chem. C [LECPCS]

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 characterized using a full panel of techniques. These hybrids have been thoroughly investigated by...[more]

Dec 19 2019

Chemistry Eur. J. [BCB /POMAM]

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 modified by reactive carbonyl species, including acrolein (ACR). Notwithstanding these findings, the...[more]

Dec 19 2019

Organic Geochemistry [Biogéochimie moléculaire]

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 palaeoenvironmental and palaeoclimatic studies. In the present study, the isotopic composition of di-...[more]