Antonio D’Angelo

Many important drugs in pharmaceutical applications are poorly soluble. Solubilization, which is diffusion through biological barriers, and the control of local administration are crucial steps for bioavailability and to avoid cytotoxic effects. Hybrid organic/inorganic biomaterials can incorporate drugs for in situ release after implantation. Molecular Mechanics (MM) and Molecular Dynamics (MD) simulations are useful tools for investigating intermolecular interactions between drug and biomaterial surfaces at the atomistic level for these applications. This work studies quercetin, a flavonoid drug important for its anti-inflammatory, antioxidant, and anticancer properties, and the amorphous SiO2 surface using a simulation protocol proposed in previous work related to ketoprofen drugs. After adsorption on the amorphous silica surface, the adsorption process of quercetin drug molecules at two different drug concentrations near a hydrated and then dried silica surface is investigated. Interestingly, these theoretical results are compared with experimental data obtained via Fourier Transform Infrared Spectroscopy (FT–IR) spectra related to quercetin molecules homogenously entrapped in a silica matrix obtained via the Sol–Gel method. Favorable H– bonds and some π–π interactions among drug molecules are crucial surface interactions for the new generation of biocompatible materials capable of incorporating anti-inflammatory agents for release into the human body.

Glass recycling reduces the amount of waste to be treated or disposed in landfills, allowing both to limit environmental damage and to save on the costs of transportation and disposal of waste. In this paper, an advantageous method for recycling glass containers (bottles, jars, jars for food, glasses, and cans for drinks, etc.) is presented. The glass is crushed and without being washed or separated from any foreign bodies it is safely incorporated into a metakaolin (MK)‐based geopolymeric matrix. Pure MK and mixtures obtained by adding different percentages (30–50 wt%) of glass cullet are consolidated via alkali activation at 50°C. Infrared spectroscopy is able to reveal the formation of bonds in the mixtures between the geopolymeric matrix and the glass. Leaching tests are carried out to evaluate the eventual release of toxic metals, while the antibacterial tests complete the environmental evaluation of the final consolidated products that show how the mechanical performance are modified by adding different amount of glass cullet.