Novel [60]fullerene-steroid hybrids have been synthesized by Bingel-Hirsch cyclopropanation reaction between C 60 and steroid malonates, leading to conjugates in which a [60]fullerene unit is connected to one or two dehydroepiandrosterone moieties, an important naturally occurring steroid hormone. The obtained derivatives have been fully characterized by a whole set of instrumental techniques in order to determine their chemical structure. Moreover, their electrochemical properties, investigated by cyclic voltammetry, revealed the presence of three reversible reduction waves for both hybrids. Furthermore, Transmission Electron Microscopy studies allowed to [a

Black phosphorus (BP) has emerged as a promising two-dimensional (2D) semiconductor for applications in electronics, optoelectronics, and energy storage. As is the case for many 2D materials, the fabrication of...

New hybrid fullerene–steroid derivatives were prepared by using the Bingel–Hirsch protocol, by treatment of [60]fullerene with malonates bearing the appropriate steroid moieties obtained, in turn, from the functionalization of epiandrosterone, an important naturally occurring steroid hormone. Monocycloadduct C60‐steroid conjugates were obtained by functionalization of ring A or ring D of the steroid moiety. We have also described the multistep preparation of a [60]fullerene hybrid dumbbell endowed with two fullerene units connected through an epiandrosterone molecule by a cyclopropanation reaction. The new compounds have been spectroscopically characterized and their redox potentials, determined by cyclic voltammetry, reveal three reversible reduction waves for monocycloadducts (8, 9 and 11, 12), whereas dumbbell‐type derivative 10 exhibits the best electron‐accepting abilities of the Bingel‐type fullerene–steroid series. Theoretical calculations at semiempirical (AM1) and single point B3LYP‐D3/6‐31G+(d,p) levels have predicted the most stable conformations for the hybrid compounds and allow explaining the observed regioselectivity in the cyclopropanation reaction with dimalonate 7 during the synthesis of the dumbbell derivative.

We report the synthesis and characterization of a fullerene‐steroid hybrid that contains H 2 @C 60 and a dehydroepiandrosterone moiety synthesized by a cyclopropanation reaction with 76 % yield. Theoretical calculations at the DFT‐D3(BJ)/PBE 6‐311G(d,p) level predict the most stable conformation and that the saturation of a double bond is the main factor causing the upfield shielding of the signal appearing at −3.13 ppm, which corresponds to the H 2 located inside the fullerene cage. Relevant stereoelectronic parameters were also investigated and reinforce the idea that electronic interactions must be considered to develop studies on chemical‐biological interactions. A molecular docking simulation predicted that the binding energy values for the protease‐hybrid complexes were −9.9 kcal/mol and −13.5 kcal/mol for PL pro and 3CL pro respectively, indicating the potential use of the synthesized steroid‐H 2 @C 60 as anti‐SARS‐Cov‐2 agent.

Invited for this month's cover are the collaborating groups of Dr. Margarita Suárez at Universidad de La Habana, Cuba, and Dr. Nazario Martín at Universidad Complutense de Madrid, Spain, together with groups at other institutions worldwide. The Front Cover shows a representation of the H2@C60 hybrid molecule with a dehydroepiandrosterone moiety interacting with the active site of the SARS Cov‐2. Read the full text of the article at 10.1002/cplu.202000770.