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The SARS-CoV-2 virus and its mutations have affected human health globally and created significant danger for the health of people all around the world. To cure this virus, the human Angiotensin Converting Enzyme-2 (ACE2) receptor, the SARS-CoV-2 main protease (Mpro), and spike proteins were found to be likely candidates for the synthesis of novel therapeutic drug. In the past, proteins were capable of engaging in interaction with a wide variety of ligands, including both manmade and plant-derived small molecules. Pyrus communis L., Ginko bibola, Carica papaya, Syrian rue, and Pimenta dioica were some of the plant species that were studied for their tendency to interact with SARS-CoV-2 main protease (Mpro) in this research project (6LU7). This scenario investigates the geometry, electronic, and thermodynamic properties computationally. Assessing the intermolecular forces of phytochemicals with the targets of the SARS-CoV-2 Mpro spike protein (SP) resulted in the recognition of a compound, kaempferol, as the most potent binding ligand, −7.7 kcal mol−1. Kaempferol interacted with ASP-187, CYS-145, SER-144, LEU 141, MET-165, and GLU-166 residues. Through additional molecular dynamic simulations, the stability of ligand–protein interactions was assessed for 100 ns. GLU-166 remained intact with 33% contact strength with phenolic OH group. We noted a change in torsional conformation, and the molecular dynamics simulation showed a potential variation in the range from 3.36 to 7.44 against a 45–50-degree angle rotation. SAR, pharmacokinetics, and drug-likeness characteristic investigations showed that kaempferol may be the suitable candidate to serve as a model for designing and developing new anti-COVID-19 medicines. [ABSTRACT FROM AUTHOR]

The feasibility of a chitosan-coated coconut-shell (CS) carbon composite for landfill leachate treatment in a fixed-bed study was investigated in terms of COD and NH3-N removal. The surface of the composite was characterized using SEM, FT-IR, and XRD to assess any changes before and after column operations. To enhance its cost-effectiveness, the saturated composite was regenerated using NaOH. The results showed that the composite had significantly better removal of both COD and NH3-N, as compared to CS and/or chitosan (p ≤ 0.05; ANOVA test), respectively. The breakthrough curve obtained from the fixed-bed studies exhibited an ideal "S" shape. The breakthrough points for the adsorbents followed the order of CS at BV 76 < chitosan at 200 BV < composite at BV 305. It was also found that a low flow rate and deeper bed depth of the packed adsorbent were necessary for achieving optimal column operations. The composite achieved 96% regeneration in the first cycle. However, even with the enhanced adsorption of target pollutants by the composite through chitosan coating, the treated effluents still could not meet the required COD and NH3-N effluent limits of less than 200 and 5 mg/L, respectively, as mandated by legislation. Nonetheless, the findings suggest that low-cost composites derived from unused resources can be employed as effective adsorbents for wastewater treatment. [ABSTRACT FROM AUTHOR]

This work investigates the applicability of clinoptilolite, a natural zeolite, as a low-cost adsorbent for removing chromium from aqueous solutions using fixed bed studies. To improve its removal performance for the inorganic pollutant, the adsorbent is pretreated with NaCl to prepare it in the homoionic form of Na+ before undertaking ion exchange with Cr3+ in aqueous solution. This work also evaluates if treated effluents could meet the required effluent discharge standard set by legislation for the target pollutant. To sustain its cost-effectiveness for wastewater treatment, the spent adsorbent is regenerated with NaOH. It was found that the clinoptilolite treated with NaCl has a two-times higher Cr adsorption capacity (4.5 mg/g) than the as-received clinoptilolite (2.2 mg/g). Pretreatment of the clinoptilolite with NaCl enabled it to treat more bed volume (BV) (64 BV) at a breakthrough point of 0.5 mg/L of Cr concentration and achieve a longer breakthrough time (1500 min) for the first run, as compared to as-received clinoptilolite (32 BV; 250 min). This suggests that pretreatment of clinoptilolite with NaCl rendered it in the homoionic form of Na+. Although pretreated clinoptilolite could treat the Cr wastewater at an initial concentration of 10 mg/L, its treated effluents were still unable to meet the required Cr limit of less than 0.05 mg/L set by the US Environmental Protection Agency (EPA). [ABSTRACT FROM AUTHOR]

Due to its low cost, over the past decades, biosorption technology has been extensively carried out to treat heavy metal-laden wastewater using biosorbents. Recent studies on heavy metal biosorption mechanisms and the simulation of mathematical modeling on the biosorption process have enhanced scientific understanding about the binding between target metal cations and the functional group on different surfaces of biomasses as a biosorbent. However, so far, none have provided an overview of mechanistic studies on heavy metal removal from aqueous solutions using inexpensive biosorbents. To close this knowledge gap, this article discusses the applicability of the surface complexation (SC) model for biosorption of a target pollutant. Insightful ideas and directions of future research in wastewater treatment using digital technologies are also presented. It was conclusive from a literature survey of 115 articles (1987–2023) that Aspergillus niger, Penicillium chrysogenum, and Rhizopus nigricans represent biomaterials that have substantial adsorption capacities, up to 200 mg of Au(I)/g, 142 mg of Th/g, and 166 mg of Pb(II)/g, respectively. The metal-binding mechanisms involved include ion exchange, surface complexation, and micro-precipitation. Ion exchange is the only mechanisms that play key roles in sequestering heavy metal using fungal cells with chitin and chitosan. X-ray energy dispersion (XED) and scanning electron microscopy (SEM) analysis were used to evaluate biosorption mechanisms of the inorganic pollutants using physico-chemical characterization on the cell surfaces of the biomass. As metal removal by the biosorbent is affected by its surface properties, surface complexation also occurs. The affinity of the surface complexation depends on the type of functional groups such as phosphate, carboxyl, and amine. [ABSTRACT FROM AUTHOR]

Air pollution, resulting from buffing dust waste produced by local leather tanning industry, has become a critical issue for the environment and public health. To promote a circular economy through resource recovery, this work developed a thermal insulation composite using buffing dust-laden tanning waste mixed with polystyrene and a blowing agent. To prepare the samples from leather tanning waste, different proportions of buffing dust (5–20% (w/w)) were blended with polystyrene in the presence of 3% (w/w) blowing agent. The composite material was processed in double-barreled with co-twin extruder to expose it to pressure and then heated at 200 °C. Different physico-chemical properties of composite samples were determined. The prepared composite materials had a good thermal conductivity (0.033–0.029 W/m-K), strong compression (5.21–6.25 ton), density (38–20 kg/m3), and water absorption (5–7.5%), as compared to conventional constructional insulation panels. The thermal conductivity of polystyrene was reduced to 10% after the addition of buffing dust (20% w/w). The presence of a blowing agent in the composite material enhanced its volume without compromising its physico-chemical properties. Thermo-gravimetric analysis showed that the thermal stability of the composite material ranged from 200–412 °C. FTIR analysis indicated that the composite had carbonyl and amino functional groups. The SEM images revealed the formation of voids with a decreasing homogeneity of the composite after the addition of the buffing dust waste. The EDX analysis revealed that the composite also had 62% of C and a tiny amount of Cr. This implies that the composite panels can be used for installation in buildings as thermal insulators in the construction sector. Overall, this work not only resolved the energy consumption problems during manufacturing, but it also brought positive impacts on the environment by recycling hazardous buffing dust and then reusing it as a thermal insulation material. Not only does this reduce the air pollution that results from the buffing dust waste, but this also promotes resource recovery in the framework of a circular economy. [ABSTRACT FROM AUTHOR]

Currently, access to electricity in the cities of the Global South is so limited that electrification remains low in rural areas. Unless properly tackled, one-third of the world's cities will suffer from energy scarcity. The emergence of microbial fuel cell (MFC) technology accelerates the deployment of decentralized and sustainable energy solutions that can address the looming energy shortage. This review consolidates scattered knowledge into one article about the performance of MFC in optimizing electricity generation from phosphorus (P)-laden wastewater, while removing the target nutrient from wastewater simultaneously. It is obvious from a literature survey of 108 published articles (1999–2022) that the applications of MFC for building a self-powered municipal water treatment system represents an important breakthrough, as this enables water treatment operators to generate electricity without affecting the atmospheric balance of CO2. Using a pyrite-based wetland MFC, about 91% of P was removed after operating 180 days, while generating power output of 48 A/m2. Unlike other techniques, MFCs utilize bacteria that act as micro-reactors and allow substrates to be oxidized completely. The Earth's tiniest inhabitants can efficiently transform the chemical energy of organic matter in unused wastewater either into hydrogen gas or electricity. This facilitates wastewater treatment plants powering themselves in daily operation or selling electricity on the market. This MFC technology radically changes how to treat wastewater universally. By exploring this direction along the water–energy–food nexus, MFC technology could transform wastewater treatment plants into a key sustainability tool in the energy sector. This suggests that MFCs provide a practical solution that addresses the need of global society for clean water and electricity simultaneously. [ABSTRACT FROM AUTHOR]

Highlights: (1) Against the seven bacteria tested, the five taxa studied had varying antibacterial activity. (2) Plant extracts were discovered to be as efficient as antibiotics in certain circumstances. (3) All plants had moderate DPPH free radical scavenging activity, but S. chenopodioides performed the best. (4) In the ABTS experiment, S. retroflexum had the highest Trolox equivalent antioxidant capacity, with a TEAC of 33.88 mM/100 g of dry weight. (5) The therapeutic potential of specific plants may therefore be used to evaluate their functioning and chemical makeup. Solanum nigrum is a traditional medicinal plant renowned as a cure for many diseases due to the presence of bioactive compounds. The Solanum nigrum complex refers to a group of more than 30 closely related but morphologically distinct taxa. Five indigenous taxa of this complex were investigated for their medicinal potential by using methanolic extracts. The efficacy of each plant was different for each of the seven bacteria studied. On comparing the MIC values, S. americanum was found to be most potent against Bacillus licheniformis (34 µg/mL), S. chenopodioides against Escherichia coli (78 µg/mL), S. nigrum against Bacillus licheniformis (49 µg/mL) and Escherichia coli (49 µg/mL), S. retroflexum against Escherichia coli (30 µg/mL), and S. villosum against Proteus mirabilis (45 µg/mL). The extracts were also subjected to six antioxidant assays. Moderate scavenging activity was observed by all plants in the DPPH free radical assay, but S. chenopodioides was the most effective. The total phenolic contents of the five plants were comparable, but the gallic acid equivalents of S. americanum and S. nigrum were the highest (26.58 mg/100 g GAE). The highest Trolox equivalent antioxidant capacity was observed for S. retroflexum, with the ABTS assay giving a TEAC value of 33.88 mM/100 g of dry weight. Metal-chelating activity against Fe2+ was observed to be highest for S. chenopodioides (70.37%). The FRAP value of S. nigrum was the highest (8.5 mM FeSO4·7H2O) among all taxa. The lipid peroxidation trend was very similar for all five samples. The results suggest the specified medicinal use of different members of the Solanum nigrum complex, which will also have significant nutritional value. [ABSTRACT FROM AUTHOR]