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Publications récentes

mai 16 2022

J. Org. Chem. [SOPHY]

Abstract: A synthesis of new-to-nature aza-iridoids via ynamides is presented. ZrCl4 proved to be the best acid to perform this transformation. Various ynamides were accommodated, and seco-iridoids could be obtained as well. Aza-iridoids were infiltrated into leaves of Scrophularia Nodosa, an iridoid-producing plant species. High-resolution mass spectrometry coupled to computational metabolomic...[En savoir plus]

mai 9 2022

Actualités de l’INC [Biophysique des membranes et RMN]

L’Institut de Chimie de Strasbourg a le plaisir de vous annoncer que l’article « Inorganic phosphate in growing calcium carbonate abalone shell suggests a shared mineral ancestral precursor » récemment publié dans Nature Communication, auquel Philippe Bertani (équipe Biophysique des membranes et RMN, Institut de Chimie de Strasbourg, UMR 7177) a collaboré, vient de faire l’objet d’une...[En savoir plus]

mai 5 2022

ChemPhysChem [LCQ] + Cover

Abstract: Combination of spin crossover metal ion and open-shell environment results in the mixing of high- and low- spin metal states, named as spinmerism.   The spin states of a Co(II) oxoverdazyl compound are investigated by means of wavefunction-based calculations. Within a ca. 233 K energy window, the ground state and excited states display a structure-sensitive admixture of low-spin...[En savoir plus]

avril 4 2022

Chem. Eur. J. [LASYROC]

Abstract: Diaryl ditelluride derivatives bearing different functional groups were prepared with the aim to study their ability to interact through chalcogen bonding (ChB). Rectangular Te4 and triangular Te3 motifs were observed in the solid-state as a result of intermolecular Te⋅⋅⋅Te ChB. In solution, the use of the very sensitive 125Te, 17O NMR analyses as well as 19F−1H HOESY allowed...[En savoir plus]

mars 31 2022

The Journal of Organic Chemistry [SOPHY]

Abstract: N-Allenamides, substituted by an ester at the γ-position, were obtained through addition of terminal ynamides with ethyl diazoacetate under copper catalysis for the first time. Regio- and stereoselective hydroamination of those activated N-allenamides provided exclusively E-configured captodative enamimes through a one-pot anti-Michael addition. Numerous ynamides as well as various...[En savoir plus]

mars 18 2022

Computation [LCQ]

Abstract: Quantum embedding is a divide and conquer strategy that aims at solving the electronic Schrödinger equation of sizeable molecules or extended systems. We establish in the present work a clearer and in-principle-exact connection between density matrix embedding theory (DMET) and density-functional theory (DFT) within the simple but nontrivial one-dimensional Hubbard model. For that...[En savoir plus]

mars 3 2022

Contact Dermatitis [DERMATOCHIMIE - POMAM]

Abstract: A major research topic consists of revealing the contribution of radical-mediated reactions in dermatological diseases related to xenobiotic-induced stress to succeed risk-assessment procedures protecting producers and consumers. Allergic contact dermatitis is the clinically relevant consequence of skin sensitization, one of the most critical occupational and environmental health...[En savoir plus]

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