Catalytic reduction of organic pollutants, antibacterial and antifungal activities of AgNPs@CuO nanoparticles-loaded mesoporous silica.

In this work, the mesoporous silica MCM-41 was prepared by a hydrothermal method and then modified using silver and copper. The obtained samples were used as antibacterial/antifungal agents and as catalysts for the reduction of the following dyes: Methylene Blue (MB), Congo Red (CR), Methyl Orange (MO), and Orange G (OG). Several parameters affecting the reduction of dyes were investigated and discussed such as the catalyst nature, the initial concentration of the dye, the dye nature, the selectivity of the catalyst in a binary system as well as the catalyst reuse. The catalysts were characterized using XRD, nitrogen sorption measurements, XRF, FTIR, XPS, SEM/EDS, and TEM. XRD, XPS, and TEM analysis clearly showed that the calcination of copper- and silver-modified silica leads to the formation of well-dispersed CuO and AgNPs having sizes between 5 and 10 nm. As determined by XRF analysis, the content of silver nanoparticles was higher compared to CuO in all samples. It has been shown that the dye reduction is influenced by the size and the content of nanoparticles as well as by their dispersions. The catalytic activity was shown to be the highest for the Ag-Cu-MCM(0.05) catalyst with a rate constant of 0.114, 0.102, 0.093, and 0.056 s-1 for MO, MB, CR, and OG dyes in the single-dye system, respectively. In the binary system containing MB/OG or MB/MO, the catalyst Ag-Cu-MCM(0.05) was more selective toward the MB dye. The reuse of the catalyst for three consecutive cycles showed higher MB conversion in a single system with an increase in reaction time. For antifungal and antibacterial properties, the application of calcined and uncalcined materials toward six different strains showed good results, but uncalcined materials showed the best results due to the synergistic effect between CuO and unreduced species Ag+ which are considered responsible for the antibacterial and antifungal action.

Zinc nanoparticles encapsulated in porous biopolymer beads for reduction of water pollutants and antimicrobial activity.

This work focuses on the preparation of composite beads from alginate crosslinked with copper at several loading percent and also loaded with ZnNPs. Th obtained samples were applied as catalysts for the reduction of the organic polluants 4-NP, MB, OG, MO, and CR in simple and binary systems. XRD results and TEM images confirmed the presence of ZnNPs in the polymer matrix. XRF and TGA analysis showed that the percentage of the cross-linking agent significantly influences the content of ZnNPs as well as the thermal stability of the resulting material. The catalytic activity of the composite beads showed that the Cu(4 %)-ALG(ZnNPs) sample was the best catalyst for all pollutants. In the simple system, the recorded rate constants for MB, MO, 4-NP, OG, and CR were 0.0133 s-1, 0.0076 s-1, 0.005 s-1, 0.0042 s-1, 0.0036 s-1, respectively. The catalyst was more selective towards the cationic MB dye for binary systems. For antibacterial and antifungal applications, the different materials containing ZnNPs and their counterparts containing Zn2+ were found to be active across all bacterial strains (Gram positive and Gram negative) as well as fungi, and the Zn2+-containing composites in particular performed better across all bacteria and fungi.

Identification of new biologically active synthetic molecules: comparative experimental and theoretical studies on the structure-antioxidant activity relationship of cyclic 1,3-ketoamides.

Antioxidant agent is a chemical that prevents the oxidation of other chemical substances. Its use is the most effective means of protecting the organism by neutralizing the harmful effects of free radicals caused by oxidative stress. In the present work, a series of ß-ketoamides containing a variety of monosubstituted amide groups were synthesized and tested as antioxidant agents. In order to establish a possible structure-antioxidant activity relationship, we are presenting a systematic theoretical study of these molecules with the aim of clarifying the active sites. In particular, we discuss the selectivity resulting from the choice of a free radical/antioxidant system. The theoretical study of these molecules was carried out using density functional theory (DFT) calculations at the B3LYP/6-311G (d,p) level of theory. In order to shed light on the antioxidant properties of ß-ketoamides, O-H bond dissociation enthalpies (BDEs), ionization potentials (IPs), electron affinities (EAs), proton affinities (PAs), and electron transfer enthalpies (ETEs) are performed in the gas phase and in ethanol. The results obtained show that the HAT mechanism is thermodynamically more favored in the gas phase, while the SPLET is preferred in the polar solvent.

Composites beads based on Fe3O4@MCM-41 and calcium alginate for enhanced catalytic reduction of organic dyes.

This work concerns the preparation of composite beads based on calcium alginate and Fe3O4@MCM-41. In the first step, the material Fe3O4@MCM-41 was prepared mechanically using several Fe3O4 contents, then was encapsulated by calcium alginate as a cross-linking matrix to give the composites MC@CA(x). The composite beads were used as catalysts for the reduction of MB and OG dyes in a simple system. Several parameters affecting the reduction reaction were investigated such as effect of the shape of composite beads, concentration of NaBH4, Fe3O4 content, catalyst mass and initial concentration of dye. The obtained results showed a higher immobilization of Fe3O4@MCM-41 in the alginate matrix leading to a high porous structure. The results showed that these catalysts have interesting catalytic activities towards the reduction of MB dye in which the reaction was more efficient with the catalyst containing a higher content of Fe3O4. The MC@CA(1) aerogel catalyst was the best in terms of stability compared to its MC@CA(1) hydrogel counterpart. Finally, the MC@CA(1) aerogel composite was reused in five successive cycles, with a slight loss of its activity during the fifth cycle due to the slight leaching of iron in the reaction medium.

Transmetallation of beta-allenyl silanes: efficient synthesis of dienyl chlorostannanes and chlorostibines.

The reaction of 1-trimethylsilylbuta-2,3-diene with tin tetrachloride, antimony trichloride or antimony pentachloride gave the corresponding buta-1,3-dien-2-yl halostannane or stibine derivatives; this ligand exchange was extended to other beta-allenylsilanes.