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The main protease (M pro ) of SARS-CoV-2 has been recognized as an attractive drug target because of its central role in viral replication. Our previous preliminary molecular docking studies showed that theaflavin 3-gallate (a natural bioactive molecule derived from theaflavin and found in high abundance in black tea) exhibited better docking scores than repurposed drugs (Atazanavir, Darunavir, Lopinavir). In this study, conventional and steered MD-simulations analyses revealed stronger interactions of theaflavin 3-gallate with the active site residues of M pro  than theaflavin and a standard molecule GC373 (a known inhibitor of M pro and novel broad-spectrum anti-viral agent). Theaflavin 3-gallate inhibited M pro protein of SARS-CoV-2 with an IC 50 value of 18.48 ± 1.29 μM. Treatment of SARS-CoV-2 (Indian/a3i clade/2020 isolate) with 200 μM of theaflavin 3-gallate in vitro using Vero cells and quantifying viral transcripts demonstrated reduction of viral count by 75% (viral particles reduced from Log10 6.7 to Log10 6.1 ). Overall, our findings suggest that theaflavin 3-gallate effectively targets the M pro thus limiting the replication of the SARS-CoV-2 virus in vitro.

Multiple anodes can significantly enhance the treatment potential of constructed wetlands coupled with a microbial fuel cell (CW-MFC) system, which has not yet been explored. Thus, the present study evaluates the potential of multi-anodes and single cathode-based CW-MFC at significantly higher organic loading rates for treatment performance and bioelectricity generation. For this purpose, two identical but different materials, i.e., graphite granules (GG) and granular activated charcoal (GAC), were used to set up multiple anodes and single cathode-based CW-MFCs. The graphite granules (GG)-based system is named CW-MFC (GG), and the granular activated charcoal (GAC) based system is named as CW-MFC (GAC). These systems were evaluated for chemical oxygen demand (COD), NH4+-N removal efficiency, and electrical output at relatively higher organic loading rates of 890.11 g COD/m3-d and 1781.32 g COD/m3-d. At an OLR of 890.11 g COD/m3-d, the treatment efficiency was found to be 24.8% more in CW-MFC (GAC) than CW-MFC (GG), whereas it was 22.73% more for CW-MFC (GAC) when OLR was increased to 1781.32 g COD/m3-d. Whereas, NH4+-N removal efficiency was more in CW-MFC (GG) i.e., 56.29 ± 7% and 56.09 ± 3.9%, compared to CW-MFC (GAC) of 36.59 ± 3.8% and 50.59 ± 7% at OLR of 890.11 g COD/m3-d and 1781.32 g COD/m3-d, respectively. A maximum power density of 48.30 mW/m3 and a current density of 375.67 mA/m3 was produced for CW-MFC (GAC) under an organic loading rate of 890.11 g COD/m3-d.

COVID-19 pandemic caused by SARS-CoV-2 led to the research aiming to find the inhibitors of this virus. Towards this world problem, an attempt was made to identify SARS-CoV-2 main protease (M pro ) inhibitory peptides from ricin domains. The ricin-based peptide from barley (BRIP) was able to inhibit M pro in vitro with an IC 50 of 0.52 nM. Its low and no cytotoxicity upto 50 µM suggested its therapeutic potential against SARS-CoV-2. The most favorable binding site on M pro was identified by molecular docking and steered molecular dynamics (MD) simulations. The M pro -BRIP interactions were further investigated by evaluating the trajectories for microsecond timescale MD simulations. The structural parameters of M pro -BRIP complex were stable, and the presence of oppositely charged surfaces on the binding interface of BRIP and M pro complex further contributed to the overall stability of the protein-peptide complex. Among the components of thermodynamic binding free energy, Van der Waals and electrostatic contributions were most favorable for complex formation. Our findings provide novel insight into the area of inhibitor development against COVID-19.

Carbon dioxide (CO2) emissions from burning fossil fuels play a crucial role in global warming/climate change. The effective removal of CO2 from the point sources or atmosphere (CO2 capture), its conversion to value-added products (CO2 utilization), and long-term geological storage, or CO2 sequestration, has captured the attention of several researchers and policymakers. This review paper illustrates all kinds of CO2 capture/separation processes and the challenges faced in deploying these technologies. This review described the research efforts put forth in gas separation technologies. Recent advances in the existing gas separation technologies have been highlighted, and future directives for commercial deployment have also been outlined.

Re-entrant auxetic lattices exhibiting negative Poisson’s ratio behaviour are attractive for lightweight energy-absorbing applications. However, traditional re-entrant and hexagonal auxetic designs often exhibit low stiffness and premature cell collapse under compressive or impact loading. In this research, the effect of the thickness ratio between primary and secondary struts on the mechanical properties of reinforced re-entrant auxetic lattices produced using fused deposition modelling is investigated. Quasi-static compression testing and numerical analysis using finite element methods are carried out to validate the mechanical performance of these lattices. The optimised reinforced lattice has shown an improvement of approximately 73% in energy absorption and 28% in specific energy absorption compared to the unreinforced lattice. This improvement is mainly attributed to a transition in the deformation mechanism from localized hinge buckling to stable progressive crushing. The optimum thickness ratio between primary and secondary struts (t/t* ≈ 1.0) is found to achieve a balance between mechanical properties. The research provides a design guideline for high-performance lightweight auxetic lattices. Graphical abstract Graphical abstract illustrating the design, experimental–numerical methodology, and performance enhancement of reinforced re-entrant honeycomb auxetic structures

For the foreseeable future, vaccines are the cornerstone in the global campaign against the Coronavirus Disease-19 (COVID-19) pandemic. As the number and fatalities due to COVID-19 decline and the lockdown anywise rescinded, we recognize an increase in the incidence of autoimmune disease post-COVID-19 vaccination. However, the causality of the most vaccine-induced side effects is debatable and, at best, limited to a temporal correlation. We herein report a case of a 51-year-old gentleman who developed Anti-Neutrophil Cytoplasmic Antibody (ANCA)-associated vasculitis (AAV) 2 week post-COVID-19 vaccination. The patient responded favorably to oral steroids and rituximab. Additionally, we conducted a case-based review of vaccine-associated AAV describing their clinical manifestations and treatment response of this emerging entity.

Nuclear receptors are a unique family of transcription factors that play cardinal roles in physiology and plethora of human diseases. The adopted orphan nuclear receptor Nr1d1 is a constitutive transcriptional repressor known to modulate several biological processes. In this study, we found that Nr1d1 plays a decisive role in T helper (Th)-cell polarization and transcriptionally impedes the formation of Th2 cells by directly binding to the promoter region of GATA binding protein 3 (GATA3) gene. Nr1d1 interacts with its cellular companion, the nuclear receptor corepressor and histone deacetylase 3 to form a stable repression complex on the GATA3 promoter. The presence of Nr1d1 also imparts protection against associated inflammatory responses in murine model of asthma and its ligand SR9011 eased disease severity by suppressing Th2 responses. Moreover, Chip-seq profiling uncovered Nr1d1 interactions with other gene subsets that impedes Th2-linked pathways and regulates metabolism, immunity and brain functions, therefore, providing empirical evidence regarding the genetic link between asthma and other comorbid conditions. Thus, Nr1d1 emerges as a molecular switch that could be targeted to subdue asthma.

Many studies have investigated the ocular benefits of intravitreal bevacizumab but there is scarcity of literature evaluating the effects of bevacizumab on kidney function and proteinuria especially in the Asian population. This study aims to investigate the effect of intravitreal injection of bevacizumab on proteinuria and kidney function in patients with diabetic retinopathy. This prospective observational study included 50 patients with diabetes and proliferative diabetic retinopathy (PDR) and/or significant diabetic macular edema, who have received intravitreal bevacizumab injection at a tertiary care center in India. Changes in the urinary albumin-to-creatinine ratio (UACR) and estimated glomerular filtration rate (eGFR) at one month and six months after injection were measured. This study reported no significant change in eGFR and UACR at one month (  > 0.05), but significant changes were seen at six months (  < 0.05). The subgroup with diabetic kidney disease (DKD) reported significant worsening of eGFR compared to the non-DKD subgroup. However, the DKD subgroup also had higher proteinuria and lower eGFR at baseline. Baseline UACR was a significant predictor of worsening eGFR and UACR at six months. Patients with diabetic retinopathy who received intravitreal bevacizumab injections showed significant worsening of kidney function and proteinuria at six months but not at one month. Higher baseline UACR was indicator of poor kidney outcomes. However, further studies with a control group without bevacizumab exposure are required to confirm the independent effect of intravitreal bevacizumab on kidney function and proteinuria.

Fossil fuels are dominant as an energy source, typically producing carbon dioxide (CO2) and enhancing global climate change. The present work reports the application of low-cost tri-sodium phosphate (TSP) to capture CO2 from model flue gas (CO2 + N2) mixture, in a batch mode and fixed-bed setup. It is observed that TSP has a high CO2 capture capacity as well as high CO2 selectivity. At ambient temperature, TSP shows a maximum CO2 capture capacity of 198 mg CO2/g of TSP. Furthermore, the CO2 capture efficiency of TSP over a flue gas mixture was found to be more than 90%. Fresh and spent materials were characterized using powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), and Fourier transformed infrared spectroscopy (FTIR). Preliminary experiments were also conducted to evaluate the performance of regenerated TSP. The spent TSP was regenerated using sodium hydroxide (NaOH) and its recyclability was tested for three consecutive cycles. A conceptual prototype for post-combustion CO2 capture based on TSP material has also been discussed.