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Recent publications

Jun 18 2018

J Phys Chem B [IFM]


Abstract: Host-guest systems provide excellent models to explore molecular recognition in solution along with relevant technological applications from drug carriers to chemosensors. Here, we present a linear interaction energy (LIE) model to predict the binding affinity in host-guests with remarkable efficiency and predictive power. Using four host families including cucurbiturils, octa acids,...[more]

Jun 4 2018



Significance Myosins are motor proteins involved in the transport of cellular cargoes and muscle contraction. Upon interaction with actin, the motor domain undergoes a conformational transition, called powerstroke, in which the lever arm is swung to generate force and directional motion. The recovery stroke reprimes the motor by coupling the reverse swing of the lever arm to ATP hydrolysis....[more]

May 30 2018

Nature Communications

Nature Communications

High-nuclearity silver clusters are appealing synthetic targets for their remarkable structures, but most are isolated serendipitously. We report here six giant silver-thiolate clusters mediated by solvents, which not only dictate the formation of an octahedral Ag64+ kernel, but also influence the in situ-generated Mo-based anion templates. The typical sevenfold symmetric silver nanowheels show a...[more]

May 30 2018

Organic Letters

Organic letters

Enamides equipped with N-acyliminium ion precursors were obtained through reduction of ynamides tethered to N-imides. Intramolecular TMSOTf-mediated trapping of N-acyliminium ions provided a variety of polyfunctionalized medium-sized diaza-heterocycles of putative pharmacological interest.   Référence : Lucile Andna and Laurence MieschTrapping of N-Acyliminium Ions with Enamides: An Approach...[more]

May 28 2018

Angewandte Chemie

Angewandte chemie

In search of magneto-optic materials the mononuclear compounds LnIII(depma)(NO3)3(hmpa)2 (Ln = Dy, Gd) were synthesized. The anthracene moieties undergo [4+4] dimerization when irradiated at 365 nm without loss of crystallinity. The Dy compound switches from a single-ion to a single-molecule magnet with doubling of the spin reversal barrier energy and from yellow-green to blue-white emission. The...[more]

Apr 23 2018

Cover PCCP

Modeling the adsorption equilibrium of small-molecule gases on graphene: effect of the volume to surface ratio Simone Conti and Marco Cecchini   “We find that the adsorption probability of molecules at surfaces critically depends on the available volume-to-surface ratio, which has important implications for 2D self-assembly."   Phys. Chem. Chem. Phys., 2018, 20, 9770-9779...[more]

Mar 13 2018

Chemistry : A European Journal

Putting a (molecular) spin on copper catalysis: Metalloenzymes routinely perform multielectronic transformations using multistate reactivity and redox cofactors but this behavior is difficult to emulate in synthetic systems. We report a rare example of molecular spin catalysis in the context of copper-catalyzed aziridination. The molecular spin fluxionality enabled by the redox-active ligands is...[more]