Ab Initio Insight into the Interaction of Metal-Decorated Fluorinated Carbon Fullerenes with Anti-COVID Drugs.

We theoretically investigated the adsorption of two common anti-COVID drugs, favipiravir and chloroquine, on fluorinated C60 fullerene, decorated with metal ions Cr3+, Fe2+, Fe3+, Ni2+. We focused on the effect of fluoridation on the interaction of fullerene with metal ions and drugs in an aqueous solution. We considered three model systems, C60, C60F2 and C60F48, and represented pristine, low-fluorinated and high-fluorinated fullerenes, respectively. Adsorption energies, deformation of fullerene and drug molecules, frontier molecular orbitals and vibrational spectra were investigated in detail. We found that different drugs and different ions interacted differently with fluorinated fullerenes. Cr3+ and Fe2+ ions lead to the defluorination of low-fluorinated fullerenes. Favipiravir also leads to their defluorination with the formation of HF molecules. Therefore, fluorinated fullerenes are not suitable for the delivery of favipiravir and similar drugs molecules. In contrast, we found that fluorine enhances the adsorption of Ni2+ and Fe3+ ions on fullerene and their activity to chloroquine. Ni2+-decorated fluorinated fullerenes were found to be stable and suitable carriers for the loading of chloroquine. Clear shifts of infrared, ultraviolet and visible spectra can provide control over the loading of chloroquine on Ni2+-doped fluorinated fullerenes.

Reuse of treated wastewater and non-potable groundwater in the manufacture of concrete: major challenge of environmental preservation.

This work concerns the reuse of treated wastewater from Er-Rachidia wastewater treatment plant (WWTP) in the mixing of ordinary C20/25 concrete, to reduce the overexploitation of non-potable groundwater, avoid its discharge into watercourses and reduce the risk of environmental pollution due to its mineral and organic matter load. In this respect, three types of mixing water were used in this study: drinking water (DW), non-potable groundwater (GW), and treated wastewater (TW). The results recorded for each type of mixing water, in the fresh and hardened state of concretes, were compared with the requirements of the standards. The obtained results show that the treated wastewater does not have any adverse effect upon the quality of the concrete; it has shown an improvement of the mechanical strength from the first stage, a similar density, setting time, and porosity and a slight decrease of the workability compared with the control concrete. A one-way analysis of variance (ANOVA) of the mechanical performance of concrete at different cure times (7, 14, 28, and 90 days) has shown that there is no significant decrease in the mechanical performance of concretes based on TW and GW compared with concretes formulated with DW. Through this study, the substitution of drinking water by treated TW and GW will help to minimize the footprint of construction materials on natural resources. From a point of view of the mechanical performance, TW and GW improve the mechanical performance of concrete. Additionally, it makes wastewater treatment plants more economically attractive and contributes to sustainable development.

Ethnobotanical survey about medicinal plants used in traditional treatment of insomnia, asthenia, and oral and gum infections in the region Fez-Meknes, Morocco.

An ethnobotanical survey was conducted among herbalists in the north-central region of Morocco using a questionnaire in order to highlight knowledge and know-how and to establish an inventory of herbal remedies used in the treatment of diseases common in the region and rarely cited in the bibliography: in this case, it is insomnia, asthenia, and oral-gum infections. The results showed that 120 herbalists were interviewed in different areas of the Fez-Meknes region, about 86 species were cited and grouped into 60 families (47 plants to treat asthenia, 25 to treat insomnia, and 21 to treat oral and gum infections). The reported plants have been identified and presented with the binomial name, family, part used, and method of preparation. In addition, the versatility was observed in several plants, indicating that the same plant could be used to treat conditions of different groups. Herbalists are people of both sexes belonging to different age groups and have different socioeconomic and intellectual levels. Eighty percent of surveyed herbalists are willing to provide us information about plants in the studied area. The most cited plants for treating these diseases are Lavandula dentata, Matricaria chamomilla, Rosmarinus officinalis, Allium cepa, Origanum vulgare, Origanum majorana, Marrubium vulgare, Lepidium sativum, and Ocimum basilicum. The Lamiaceae are the most quoted family. The leaves are the most commonly used organs. Infusion is the most common form of preparation. The results of this ethnobotanical study could constitute an important source of information and databases for further research in the fields of phytochemistry and pharmacology in order to find new bioactive molecules. In addition, this document can be used in the protection of indigenous knowledge.