Metal-Bound Methisazone; Novel Drugs Targeting Prophylaxis and Treatment of SARS-CoV-2, a Molecular Docking Study

SARS-CoV-2 currently lacks effective first-line drug treatment. We present promising data from in silico docking studies of new Methisazone compounds (modified with calcium, Ca; iron, Fe; magnesium, Mg; manganese, Mn; or zinc, Zn) designed to bind more strongly to key proteins involved in replication of SARS-CoV-2. In this in silico molecular docking study, we investigated the inhibiting role of Methisazone and the modified drugs against SARS-CoV-2 proteins: ribonucleic acid (RNA)-dependent RNA polymerase (RdRp), spike protein, papain-like protease (PlPr), and main protease (MPro). We found that the highest binding interactions were found with the spike protein (6VYB), with the highest overall binding being observed with Mn-bound Methisazone at −8.3 kcal/mol, followed by Zn and Ca at −8.0 kcal/mol, and Fe and Mg at −7.9 kcal/mol. We also found that the metal-modified Methisazone had higher affinity for PlPr and MPro. In addition, we identified multiple binding pockets that could be singly or multiply occupied on all proteins tested. The best binding energy was with Mn–Methisazone versus spike protein, and the largest cumulative increases in binding energies were found with PlPr. We suggest that further studies are warranted to identify whether these compounds may be effective for treatment and/or prophylaxis.     

Influence of the drying route on the depolymerization and properties of chitosan

In this work, a chitosan sample with a high degree of deacetylation (DD >95%) obtained from freshwater shrimp shells was subjected to drying processes in an electric oven and by supercritical CO₂. The results indicated that drying chitosan particles with supercritical CO₂ resulted in a very significant increase in specific surface area and pore volume, and also increased the material's crystallinity index. This drying route led to a more than 10‐fold reduction in viscosimetric molecular weight (from 35.3 to 3.0 kDa), indicating that the physical drying process caused the chitosan to depolymerize, which usually occurs by enzymatic and chemical methods, according to the literature. Low molecular weight chitosan is essential for some applications in the field of biomedicine (drug delivery for example); hence, drying via the CO₂ route can be considered a promising technique for the production of high value‐added materials with applications in this area. POLYM. ENG. SCI., 55:1969–1976, 2015. © 2014 Society of Plastics Engineers     

Zeolite filled siloxane composite foams: Compression property

In this article, mechanical behavior under compression loads of an innovative adsorbent material, based on silicone composite foams filled with SAPO 34 zeolite, is presented. The innovative composite foams were obtained profiting by the dehydrogenative coupling of siloxane constituents. These new adsorbent systems have been proposed to overcome to the low mechanical stability of conventional SAPO‐34 coating for adsorption chiller. In this concern, static and cyclic compressive tests at room temperature have been carried out. Samples at increasing content of SAPO 34 zeolite were tested to evaluate the influence of the filler content on the mechanical behavior of the composite foam. The results showed that the presence of zeolite reduces the elastic limit of the foam and increases the strength. The foams evidenced also acceptable mechanical stability to cyclic compressive loads. The encouraging results confirm the possible use of these new composite foams as adsorbent materials for cyclic adsorption heat pumps. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46145.     

Electrochemical incineration of dyes using a boron‐doped diamond anode

The electrochemical oxidation of a synthetic wastewater containing the model dyes alizarin red (an anthraquinone) and Eriochrome black T (an azoic compound) has been studied on a boron‐doped diamond electrode (BDD) by both cyclic voltammetry and bulk electrolysis. The influence of the current density and dye concentration were investigated. The results obtained show that complete chemical oxygen demand (COD) and colour removal was obtained for both wastewaters. However, the nature of the pollutant, and specially the presence of functional groups (such as the azoic group) seems to strongly influence the performance and efficiency of the electrochemical process. The electro‐oxidation of alizarin red behaves as a mass‐transfer‐controlled process. In such a system, an increase in the current density leads to a decrease in the current efficiency. This can be explained by direct or hydroxyl radical mediated oxidation. The contrary tendency has been observed in Eriochrome black T electro‐oxidation. In this case, higher efficiencies were obtained working at high current densities. This may indicate that the mediated oxidation by electrogenerated reagent (such as peroxodisulphate) is the main oxidation mechanism involved in Eriochrome black T treatment. These compounds have a longer average lifetime than hydroxyl radicals, and it allows the reaction to be extended to the whole wastewater volume. This study has shown the suitability of the electrochemical process for completely removing the COD and total organic carbon and effectively decolourising of wastewaters containing synthetic dyes. Copyright © 2007 Society of Chemical Industry     

Post-COVID-19 Syndrome: Retinal Microcirculation as a Potential Marker for Chronic Fatigue

Post-COVID-19 syndrome (PCS) is characterized by persisting sequelae after infection with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). PCS can affect patients with all COVID-19 disease severities. As previous studies have revealed impaired blood flow as a provoking factor triggering PCS, it was the aim of the present study to investigate the potential association between self-reported chronic fatigue and retinal microcirculation in patients with PCS, potentially indicating an objective biomarker. A prospective study was performed, including 201 subjects: 173 patients with PCS and 28 controls. Retinal microcirculation was visualized by OCT angiography (OCT-A) and quantified using the Erlangen-Angio-Tool as macula and peripapillary vessel density (VD). Chronic fatigue (CF) was assessed according to the variables of Bell’s score, age and gender. VDs in the superficial vascular plexus (SVP), intermediate capillary plexus (ICP) and deep capillary plexus (DCP) were analyzed, considering the repetitions (12 times). Seropositivity for autoantibodies targeting G protein-coupled receptors (GPCR-AAbs) was determined by an established cardiomyocyte bioassay. Taking account of the repetitions, a mixed model was performed to detect possible differences in the least square means between the different groups included in the analysis. An age effect in relation to VD was observed between patients and controls (p < 0.0001). Gender analysis showed that women with PCS showed lower VD levels in the SVP compared to male patients (p = 0.0015). The PCS patients showed significantly lower VDs in the ICP as compared to the controls (p = 0.0001 (CI: 0.32; 1)). Moreover, considering PCS patients, the mixed model revealed a significant difference between those with chronic fatigue (CF) and those without CF with respect to VDs in the SVP (p = 0.0033 (CI: −4.5; −0.92)). The model included variables of age, gender and Bell’s score, representing a subjective marker for CF. Consequently, retinal microcirculation might serve as an objective biomarker in subjectively reported chronic fatigue in patients with PCS.     

Compositional and Structural Modifications by Ion Beam in Graphene Oxide for Radiation Detection Studies

In the present study, graphene oxide foils 10 μm thick have been irradiated in vacuum using same charge state (one charge state) ions, such as protons, helium and oxygen ions, at the same energies (3 MeV) and fluences (from 5 × 10¹¹ ion/cm² to 5 × 10¹⁴ ion/cm²). The structural changes generated by the ion energy deposition and investigated by X-ray diffraction have suggested the generation of new phases, as reduced GO, GO quantum dots and graphitic nanofibers, carbon nanotubes, amorphous carbon and stacked-cup carbon nanofibers. Further analyses, based on Rutherford Backscattering Spectrometry and Elastic Recoil Detection Analysis, have indicated a reduction of GO connected to the atomic number of implanted ions. The morphological changes in the ion irradiated GO foils have been monitored by Transmission Electron, Atomic Force and Scanning Electron microscopies. The present study aims to better structurally, compositionally and morphologically characterize the GO foils irradiated by different ions at the same conditions and at very low ion fluencies to validate the use of GO for radiation detection and propose it as a promising dosimeter. It has been observed that GO quantum dots are produced on the GO foil when it is irradiated by proton, helium and oxygen ions and their number increases with the atomic number of beam gaseous ion.