Photocatalytic performance of SiO2@TiO2 spheres in selective conversion of oxidation of benzyl alcohol to benzaldehyde and reduction of nitrobenzene to aniline.

Selective photocatalytic oxidation of benzyl alcohol to benzaldehyde and reduction of nitrobenzene to aniline reactions are investigated by using SiO2@TiO2 spheres produced in a simple route using chitosan as a template. The spheres are predominantly macroporous and, the XRD points out an amorphous crystallographic profile suggesting the uniform distribution of TiO2. Under low-power lighting for 4 hours, the conversions achieved was of the order of 49% and 99% for benzyl alcohol and nitrobenzene, respectively, with selectivity to benzaldehyde and aniline of 99% in both reactions. The study also follows the effects of the solvent and the presence of O2.

In silico investigation of Komaroviquinone as a potential inhibitor of SARS-CoV-2 main protease (Mpro): Molecular docking, molecular dynamics, and QM/MM approaches.

COVID-19 has highlighted the urgent need for new therapeutic agents to combat the spread of the virus. The main protease of SARS-CoV-2 (Mpro) has emerged as a promising target. In this study, we conducted an in silico investigation to explore the potential of Komaroviquinone, an icetexane diterpene, as a therapeutic agent against COVID-19. We employed molecular docking, molecular dynamics, and QM/MM methodologies to compare the binding affinity, molecular interactions, and stability of Komaroviquinone and the FDA-approved antiviral drug Nirmatrelvir with the SARS-CoV-2 Mpro protein. The study demonstrated that Komaroviquinone exhibits strong interaction with Mpro, with a binding energy comparable to Nirmatrelvir. The ADMET analysis revealed that Barbatusol, Brussonol, and Komaroviquinone possess superior solubility, permeability, and intestinal absorption compared to Nirmatrelvir, as well as more favorable distribution properties and lower toxicity profiles. Notably, Nirmatrelvir displayed toxicity and hepatotoxicity, which were not present in the natural compounds. Thus, it is suggested that Komaroviquinone may be a promising candidate for the development of effective and safer therapeutic agents against COVID-19. Experimental validation is necessary to confirm its potential as a treatment for the disease.

Evaluation of hair fiber hydration by differential scanning calorimetry, gas chromatography, and sensory analysis.

Hair hydration is one of the effects that consumers most expect when using a cosmetic hair product. The purpose of this study was to combine differential scanning calorimetry (DSC) and gas chromatography (GC) techniques for a precise evaluation of the water content in hair fiber. DSC allowed determination of the bonding strength of water to hair fibers by quantifying the amount of energy required to remove the water. The amount of water thus removed was determined by GC. Post-treatment sensory evaluations of hair tresses were conducted to determine whether the values obtained with these techniques correspond to the moisturizing sensation perceived by consumers.

Application of silica gel organofunctionalized with 3(1-imidazolyl)propyl in an on-line preconcentration system for the determination of copper by FAAS.

This study presents a new procedure for the determination of trace levels of copper(II) in an aqueous matrix, through flow injection (FI) on-line preconcentration with a minicolumn packed with silica gel modified with 3(1-imidazolyl)propyl groups. After the preconcentration stage, the analyte was eluted with a HNO(3) solution and determined by flame atomic absorption spectrometry (FAAS). The measurements of the analytical signals were carried out as peak area and peak height with the objective of evaluating the most appropriate absorption measurement for the proposed method. Four procedures to calculate the experimental enrichment factor (EF) were also studied. For a preconcentration time of 90s the enrichment factors found in this study varied between 19.5-25.8 and 36.2-42.2 for peak area and peak height, respectively. The precision of the proposed method was calculated for a solution containing 20mugl(-1) of Cu(II), when 11.2ml of solution was preconcentrated (n=7), and their respective relative standard deviation (R.S.D.) values were 1.2 and 1.4% for peak area and peak height, respectively. The detection limits obtained were 0.4 and 0.2mugl(-1) of Cu(II) for peak area and peak height, respectively, with a preconcentration time of 90s. The on-line preconcentration system accuracy was evaluated through a recovery test on the aqueous samples and analysis of a certified material.