Electrospun nanosystems based on PHBV and ZnO for ecological food packaging

The electrospun nanosystems containing poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) and 1 wt% Fe doped ZnO nanoparticles (NPs) (with the content of dopant in the range of 0–1 wt% Fe) deposited onto polylactic acid (PLA) film were prepared for food packaging application. They were investigated by scanning electron microscopy (SEM), energy dispersive X-ray (EDX), Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), antimicrobial analysis, and X-ray photoelectron spectrometry (XPS) techniques. Migration studies conducted in acetic acid 3% (wt/wt) and ethanol 10% (v/v) food simulants as well as by the use of treated ashes with 3% HNO3 solution reveal that the migration of Zn and Fe falls into the specific limits imposed by the legislation in force. Results indicated that the PLA/PHBV/ZnO:Fex electrospun nanosystems exhibit excellent antibacterial activity against the Pseudomonas aeruginosa (ATCC-27853) due to the generation of a larger amount of perhydroxyl (¿OOH) radicals as assessed using electron para-magnetic resonance (EPR) spectroscopy coupled with a spin trapping method. © 2021 by the authors. Licensee MDPI, Basel, Switzerland

Electronic structure of the Magnesium hydride molecular ion

In this paper, using a standard quantum chemistry approach based on pseudopotentials for atomic core representation, Gaussian basis sets, and effective core polarization potentials, we investigate the electronic properties of the MgH$^+$ ion. We first determine potential energy curves for several states using different basis sets and discuss their predicted accuracy by comparing our values of the well depths and position with other available results. We then calculate permanent and transition dipole moments for several transitions. Finally for the first time, we calculate the static dipole polarizability of MgH$^+$ as function of the interatomic distance. This study represents the first step towards the modeling of collisions between trapped cold Mg$^+$ ions and H$_2$ molecules.Comment: submitted to J. Phys. B, special issue on Cold trapped ion

Magnetic properties of Y(Co1-xNix)4Al compounds

International audienceMagnetic measurements were performed on Y(Co1?xNix)4Al compounds in the temperature range 4.2–750 K and fields up to 7°F. The magnetic behaviour of Ni and Co is analyzed with the spin fluctuation model

Spectroscopic investigations and crystal structure from synchrotron powder data of the inclusion complex of β-cyclodextrin with atenolol

Inclusion complexes of atenolol with β-cyclodextrin (β-CD) in aqueous solution have been investigated with 1H NMR and UV-vis spectroscopy. The stoichiometry of this inclusion complex was established to be equimolar (1:1) and its stability constant was determined by UV-vis spectroscopy. The crystal structure of the β-CD-atenolol (1:1) inclusion compound has been solved from synchrotron powder diffraction data using direct-space search techniques. The crystal structure model and 1H NMR data are in good agreement and, with support of Hyperchem MM+ molecular dynamics results, suggest which protons are likely to be involved in the inclusion process that leads to the supramolecular architecture of this guest-host complex