Advances in ab-initio theory of Multiferroics. Materials and mechanisms: modelling and understanding

Within the broad class of multiferroics (compounds showing a coexistence of magnetism and ferroelectricity), we focus on the subclass of "improper electronic ferroelectrics", i.e. correlated materials where electronic degrees of freedom (such as spin, charge or orbital) drive ferroelectricity. In particular, in spin-induced ferroelectrics, there is not only a {\em coexistence} of the two intriguing magnetic and dipolar orders; rather, there is such an intimate link that one drives the other, suggesting a giant magnetoelectric coupling. Via first-principles approaches based on density functional theory, we review the microscopic mechanisms at the basis of multiferroicity in several compounds, ranging from transition metal oxides to organic multiferroics (MFs) to organic-inorganic hybrids (i.e. metal-organic frameworks, MOFs)Comment: 22 pages, 9 figure

Search for Supersymmetry in pp Collisions at root s=13 TeV in the Single-Lepton Final State Using the Sum of Masses of Large-Radius Jets

Peer reviewe

Triazolinediones as Highly Enabling Synthetic Tools

Triazolinediones (TADs) are unique reagents in organic synthesis that have also found wide applications in different research disciplines, in spite of their somewhat "exotic" reputation. In this review, we offer two case studies that demonstrate the possibilities of these versatile and reliable synthetic tools, namely, in the field of polymer science as well as in more recently emerging applications in the field of click chemistry. As the general use of triazolinediones has always been hampered by the limited commercial and synthetic availability of such reagents, we also offer a review of the available TAD reagents, together with a detailed discussion of their synthesis and reactivity. This review thus aims to serve as a practical guide for researchers that are interested in exploiting and further developing the exceptional click -like reactivity of triazolinediones in various applications

Polythiolactone-Based Redox-Responsive Layers for the Reversible Release of Functional Molecules

The development of thin macromolecular layers with incorporated disulfide bonds that can be disrupted and formed again under redox stimulation is of general interest for drug release applications, because such layers can provide rapid and reversible responses to specific biological systems and signals. However, the preparation of such layers from polythiols remains difficult, because of the fast oxidation of thiol groups in ambient conditions. Here we propose water-soluble thiolactone-containing copolymers as stable precursors containing protected thiol groups, allowing us to produce on demand polythiol layers on gold substrates in the presence of amine derivatives. Electrochemical, water contact angle, X-ray photoelectron spectroscopy, and X-ray reflectometry measurements evidence the formation of uniform copolymer layers containing both anchored and free thiol groups. The number of free thiols increases with the content of thiolactone units in the copolymers. In a second step, a thiolated dye, used as a model drug, was successfully grafted on the free thiol groups through disulfide bonds using mild oxidizing conditions, as proved by fluorescence and quartz crystal microbalance measurements. Finally, the reversible release/regrafting of the dye under redox stimulation is demonstrated