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Jul 24 2023

The Journal of Chemical Physics [LCQ]

Abstract The equivalence in one-electron quantum baths between the practical implementation of density matrix embedding theory (DMET) and the more recent Householder-transformed density matrix functional embedding theory has been shown previously in the standard but special case where the reference full-size (one-electron reduced) density matrix, from which the bath is constructed, is idempotent...[more]

Jul 7 2023

Organic Chemistry Frontiers [SOPhy]

Abstract Upon treatment with TBAF, CF3-substituted N-allenamides were transformed into γ-sultams. Cyclic sulfonamides bearing an ene-gem-difluorinated tether could be obtained by addition of acetic acid to the ammonium salt whereas TBAF alone provided the correspondingtrifluorinated ethyl sultams. A combined experimental and computationnal mechanistic study suggested that this transformation...[more]

Jun 30 2023

Inorganic Chemistry [BCB/POMAM]

Abstract Cu chelation in biological systems is of interest as a tool to study the metabolism of this essential metal or for applications in the case of diseases with a systemic or local Cu overload, such as Wilson's or Alzheimer's disease. The choice of the chelating agent must meet several criteria. Among others, affinities and kinetics of metal binding and related metal selectivity are...[more]

Jun 30 2023

Metallomics [BCB/POMAM]

Abstract Copper (Cu) is essential for most organisms, but it can be poisonous in excess, through mechanisms such as protein aggregation, trans-metallation and oxidative stress. Latter could implicate the formation of potentially harmful Reactive Oxygen Species (ROS: O2•–, H2O2 and HO•) via the redox cycling between Cu(II)/Cu(I) states in the presence of dioxygen and physiological reducing agents...[more]

Jun 29 2023

Soutenance de thèse de doctorat de Michael Okafor

Vendredi 30 juin à 14h00 dans l'Amphi Alain BERETZ (Nouveau Patio) sur le campus d'Esplanade. Titre : "Conception de navettes peptidique sélectives au cuivre afin de prévenir la toxicité du complexe Cu-amyloïde-β lié à la maladie d'Alzheimer" Cette thèse a été effectuée sous la direction du Prof. Peter Faller (équipe BCB, UMR 7177, Institut de Chimie de Strasbourg) et du Dr. Nicolas Vitale...[more]

Jun 27 2023

Soutenance de thèse de doctorat de Gaël Printz

Vendredi 30 juin à 14h00 dans l'Amphi 2 à l'Institut Le Bel sur le campus d'Esplanade. Titre : "(Co)-polymérisation par ouverture de cycle d'anhydrides, d'époxydes ou de lactones biosourcés en présence d'organocatalyseur pour la synthèse de polyesters ou de polyéthers" Cette thèse a été effectuée sous la direction du Dr. Samuel Dagorne (équipe Synthèse, Réactivité et Catalyse...[more]

Jun 14 2023

Chemical Science [LASYROC]

Abstract In the field of noncovalent interactions, chalcogen bonding (ChB) involving the tellurium atom is currently attracting much attention in supramolecular chemistry and in catalysis. However, as a prerequisite for its application, the ChB should be studied in solution to assess its formation and, if possible, to evaluate its strength. In this context, new tellurium derivatives bearing CH2F...[more]

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