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Publications récentes

sept. 30 2024

J. Chem. Phys. [LCQS]

Abstract : In recent works by Yalouz et al. (J. Chem. Phys. 157, 214112, 2022) and Sekaran et al. (Phys. Rev. B 104, 035121, 2021; Computation 10, 45, 2022), Density Matrix Embedding Theory (DMET) has been reformulated through the use of the Householder transformation as a novel tool to embed a fragment within extended systems. The transformation was applied to a reference non-interacting...[En savoir plus]

sept. 30 2024

Communications Biology [Biogéochimie Moléculaire]

Abstract : A seed recovered during archaeological excavations of a cave in the Judean desert was germinated, with radiocarbon analysis indicating an age of 993 CE– 1202 calCE. DNA sequencing and phylogenetic analysis identified the seedling as belonging to the angiosperm genus Commiphora Jacq., sister to three Southern African Commiphora species, but unique from all other species sampled to...[En savoir plus]

sept. 16 2024

Science Advances [SOPhy]

Abstract : Strigolactones exhibit dual functionality as regulators of plant architecture and signaling molecules in the rhizosphere. The important model crop rice exudes a blend of different strigolactones from its roots. Here, we identify the inaugural noncanonical strigolactone, 4-oxo-methyl carlactonoate (4-oxo-MeCLA), in rice root exudate. Comprehensive, cross-species coexpression analysis...[En savoir plus]

sept. 16 2024

Photochemistry and Photobiology [POMAM]

Abstract : Photoallergic contact dermatitis is a skin disease caused by combined exposure to photoreactive chemicals and sunlight. Exposure to allergens and the risk of skin sensitization is an essential regulatory issue within the industry. Yet, only few non-validated assays for photoallergy assessment exist as the pathogenesis is not fully deciphered. Improving such assays and/or developing...[En savoir plus]

août 5 2024

Organic & Biomolecular Chemistry [LCSOM]

Abstract: Organofluorines have a broad range of industrial applications, such as pharmaceutics, liquid crystal displays (LCD), solar cells, textiles, and construction coatings, and are used in peptidomimetics, surfactants, refrigerants, anesthetics, and agrochemicals. Among them are versatile monofluoroalkenes that play a crucial role in medicinal and synthetic chemistry. The synthetic...[En savoir plus]

juil. 17 2024

J. Org. Chem. [SOPhy]

Abstract : A method for the construction of trifluorinated-5-methylenepyrrolidinone is reported. This strategy combines an acid-catalyzed two-carbon homologation process between ynamides and aldehydes, providing CF3-substituted dienes followed by a metal-free domino hydroamination/isomerization/transamidation sequence, delivering trifluorinated-5-methylenepyrrolidinone...[En savoir plus]

juil. 16 2024

Chem. Eur. J./ Cover [POMAM]

Graphical Abstract An asymmetric diradical was synthesized by grafting a nitroxide radical onto the [Y(Pc)2]⋅ radical system. The molecule was shown to exhibit a weak exchange interaction between its two radical units. The g-asymmetry combined with the magnetic interaction led to the electron paramagnetic resonance transition of different tipping angles, which could be selectively enhanced by...[En savoir plus]