Explore the vast range of titles available.

The recent outbreak of COVID-19 caused by SARS-CoV-2 brought a great global public health and economic concern. SARS-CoV-2 is an enveloped RNA virus, from the genus Betacoronavirus. Although few molecules have been tested and shown some efficacy against SARS-CoV-2 in humans but a safe and cost-effective attachment inhibitors are still required for the treatment of COVID-19. Natural products are gaining attention because of the large therapeutic window and potent antiviral, immunomodulatory, anti-inflammatory, and antioxidant properties. Therefore, this study was planned to screen natural products from Ayurveda that have the potential to modulate host immune system as well as block the virus entry in host cells by interfering its interaction with cellular receptor and may be used to develop an effective and broad-spectrum strategy for the management of COVID-19 as well as other coronavirus infections in coming future. To decipher the antiviral activity of the selected natural products, molecular docking was performed. Further, the drug-likeness, pharmacokinetics and toxicity parameters of the selected natural products were determined. Docking results suggest that curcumin and nimbin exhibits highest interaction with spike glycoprotein (MolDock score − 141.36 and − 148.621 kcal/mole) and ACE2 receptor (MolDock score − 142.647 and − 140.108 kcal/mole) as compared with other selected natural products/drugs and controls. Also, the pharmacokinetics data illustrated that all selected natural products have better pharmacological properties (low molecular weight; no violation of Lipinski rule of five, good absorption profiles, oral bioavailability, good blood–brain barrier penetration, and low toxicity risk). Our study exhibited that curcumin, nimbin, withaferin A, piperine, mangiferin, thebaine, berberine, and andrographolide have significant binding affinity towards spike glycoprotein of SARS-CoV-2 and ACE2 receptor and may be useful as a therapeutic and/or prophylactic agent for restricting viral attachment to the host cells. However, few other natural products like resveratrol, quercetin, luteolin, naringenin, zingiberene, and gallic acid has the significant binding affinity towards ACE2 receptor only and therefore may be used for ACE2-mediated attachment inhibition of SARS-CoV-2.

The emergence of 2019 novel coronavirus (2019-nCoV) is of global concern and might have emerged from RNA recombination among existing coronaviruses. CoV spike (S) protein which is crucial for receptor binding, membrane fusion via conformational changes, internalization of the virus, host tissue tropism and comprises crucial targets for vaccine development, remain largely uncharacterized. Therefore, the present study has been planned to determine the sequence variation, structural and antigenic divergence of S glycoprotein which may be helpful for the management of 2019-nCoV infection. The sequences of spike glycoprotein of 2019-nCoV and SARS coronavirus (SARS-CoV) were used for the comparison. The sequence variations were determined using EMBOSS Needle pairwise sequence alignment tools. The variation in glycosylation sites was predicted by NetNGlyc 1.0 and validated by N-GlyDE server. Antigenicity was predicted by NetCTL 1.2 and validated by IEDB Analysis Resource server. The structural divergence was determined by using SuperPose Version 1.0 based on cryo-EM structure of the SARS coronavirus spike glycoprotein. Our data suggests that 2019-nCoV is newly spilled coronavirus into humans in China is closely related to SARS-CoV, which has only 12.8% of difference with SARS-CoV in S protein and has 83.9% similarity in minimal receptor-binding domain with SARS-CoV. Addition of a novel glycosylation sites were observed in 2019-nCoV. In addition, antigenic analysis proposes that great antigenic differences exist between both the viral strains, but some of the epitopes were found to be similar between both the S proteins. In spite of the variation in S protein amino acid composition, we found no significant difference in their structures. Collectively, for the first time our results exhibit the emergence of human 2019-nCoV is closely related to predecessor SARS-CoV and provide the evidence that 2019-nCoV uses various novel glycosylation sites as SARS-CoV and may have a potential to become pandemic owing its antigenic discrepancy. Further, demonstration of novel Cytotoxic T lymphocyte epitopes may impart opportunities for the development of peptide based vaccine for the prevention of 2019-nCoV.

This work studied the effect of the silica and functionalized silica nanoparticles on the density, hardness, and water absorption of the polymer epoxy nanocomposites. Silica nanoparticles were synthesized by the sol–gel method and further functionalized with epichlorohydrin (EPR) and furfuryl amine (FA) by post-synthesis grafting technique. Different samples of nanocomposites with filler loading of 0.5 wt.% of silica, EPR-functionalized silica, and FA-functionalized silica in epoxy nanocomposites were prepared. FESEM image analysis was done to understand the surface morphology and to confirm the functionalization of silica nanoparticles. The Shore D hardness test was performed to check the hardness of the nanocomposites. Density, hardness, and water absorption rate of these samples were tested and compared with neat epoxy (NE). Tensile test and TGA analysis were performed to check the mechanical and thermal behavior of the nanocomposites. The density of the epoxy gat increased by ~ 3% by adding 0.5 wt.% filler. Epoxy with functionalized silica as the filler has more density. By adding silica and FA-functionalized silica, the epoxy’s hardness gets improved by ~ 2% and ~ 4%, respectively. The rate of water absorption had been reduced by ~ 30% by adding fillers to the epoxy resin system. There is an improvement in tensile strength of ~ 57%, ~ 35%, and ~ 67% due to the reinforcement of 0.5 wt.% of silica, epoxy functionalized silica and furfuryl amine functionalized silica, respectively with respect to neat epoxy. TGA analysis shows improvement in thermal stability due to the addition of functionalized nanofillers. These changes are related to the better interfacial adhesion and the covalent reaction of the nanofiller with the epoxy matrix system.

The study analysed the changes in the rainfall, extreme indices and their future projections over Rajasthan state based on observed gridded datasets (1976–2005) and simulated climate models. The climate projections from two global circulation models (HadCM3 and GFCM21) are used in statistical downscaling tool LARS-WG5 (Long Ashton Research Station-Weather Generator) to generate future precipitation. Further, the changes in precipitation pattern are investigated for the baseline period and the future periods based on seven extreme precipitation indices. Three future periods are used for the analysis i.e., early century period 2011–2040 (2025s), a mid-century period of 2041–2070 (2055s) and a late-century period of 2071–2100 (2085s). The study area is classified in three regions based on elevation range i.e., region 1 (< 250 m), region 2 (251–350 m) and region 3 (350–1700 m). Based on results, it is observed that there is a possible decrease in monsoon precipitation at many grid points for all the three future periods. The maximum decrease in rainfall (−142 mm) is observed in Banswara for the period 2041–2070, while the maximum increase (37 mm) is found in Alwar along with Churu 1 and Ganganagar during the period 2071–2100. Consecutive dry days (CDD) is predicted to increase in the west and south-west direction, while it shows decrease values in eastern and central part of the study area with the maximum value in Ajmer district. The pattern in PRCPTOT revealed maximum negative change (− 90 mm) in southern parts, and maximum positive change in the northern regions (62.2 mm) in Churu 1. Further, R20 and RX5day are projected to decrease in all three regions in future with several magnitudes. For RX1day, a maximum positive change is observed in eastern parts (Jhalawar, Sawai Madhopur) and negative changes in the southern part of the study area. In case of R95p index, both positive and negative changes are observed. Similarly, the SDII indicates a positive change in 2011–2040 and negative changes for the remaining two future periods. Finally, SDII shows maximum positive changes in the south and southeastern regions (Jhalawar, Chittaurgarh) and positive changes in various parts with spatial and temporal changes. The results will help water resources planner to understand the change pattern in various precipitation indices in water scarce state of India.

We evaluate the transport properties such as shear viscosity (\\[\\eta \\]), bulk viscosity (\\[\\zeta \\]) and their ratios over entropy density (s) for hadronic matter using relativistic non-extensive Boltzmann transport equation (NBTE) in relaxation time approximation (RTA). In NBTE, we argue that the system far from equilibrium may not reach to an equilibrium described by extensive (Boltzmann-Gibbs (BG)) statistics but to a q-equilibrium defined by Tsallis non-extensive statistics after subsequent evolution, where q denotes the degree of non-extensivity. We observe that \\[\\eta /s\\] and \\[\\zeta /s\\] decrease rapidly with temperature (T) for various q-values. As q increases, the magnitudes of \\[\\eta /s\\] and \\[\\zeta /s\\] decrease with T. We also show the upper mass cutoff dependence of these ratios for a particular q and find that they decrease with the increase in mass cutoff of hadrons. Further, we present the first estimation of isothermal compressibility (\\[\\kappa _T\\]) using non-extensive Tsallis statistics at finite baryon chemical potential (\\[\\mu _B\\]). It is observed that, \\[\\kappa _T\\] changes significantly with the degree of non-extensivity. We also study the squared speed of sound (\\[c_{s}^{2}\\]) as a function of temperature at finite baryon chemical potential for various q and upper mass cutoffs. It is noticed that there is a strong impact of q and mass cutoff on the behaviour of \\[c_{s}^{2}\\].

Heat waves are expected to intensify around the globe in the future, with a potential increase in heat stress and heat-induced mortality in the absence of adaptation measures. India has high current exposure to heat waves, and with limited adaptive capacity, impacts of increased heat waves might be quite severe. This paper presents a comparative analysis of urban heat stress/heatwaves by combining temperature and vapour pressure through two heat stress indices, i.e., Wet Bulb Globe Temperature (WBGT) and humidex index. For the years 1970–2000 (historical) and 2041–2060 (future), these two indicators were estimated in Jaipur. Another goal of this research is to better understand Jaipur land use changes and urban growth. For the land use study, Landsat 5 TM and Landsat 8 OLI satellite data from the years 1993, 2010, and 2015 were examined. During the research period, urban settlement increased and the majority of open land is converted to urban settlements. In the coming term, all months except three, namely July to September, have seen an increase in the WBGT index values; however, these months are classified as dangerous. Humidex’s historical value has been 21.4, but in RCP4.5 and RCP8.5 scenarios, it will rise to 25.5 and 27.3, respectively, and slip into the danger and extreme danger categories. The NDVI and SAVI indices are also used to assess the city’s condition during various periods of heat stress. The findings suggest that people’s discomfort levels will rise in the future, making it difficult for them to work outside and engage in their usual activities.

With the increasing water scarcity and the demand for sustainable agriculture, precise estimation of crop evapotranspiration (ET) is crucial for effective irrigation management, crop yield assessment, and equitable water distribution, particularly in semi-arid regions. In this study, a large aperture scintillometer (LAS) was used to validate the remote sensing-based ET model SETMI (Spatial Evapotranspiration Modeling Interface) in an irrigated maize-wheat cropping system in a semi-arid region at the ICAR-Indian Agricultural Research Institute, New Delhi. Results obtained by the SETMI model depicted modeled surface energy fluxes compared well with LAS field data, showing a very high R2 (0.83–0.95) and NRMSE (8–29%). The SETMI model performed better in the case of the maize crop than the wheat crop in field experiments. Further, the SETMI model was employed at the regional level using high-resolution Sentinel-2 to estimate the regional water productivity of wheat crops over a semi-arid region in India. The estimated regional, seasonal wheat actual ET mainly ranged between 101 mm and 325 mm. The regional wheat water productivity varied from 0.9 kg m−3 to 2.20 kg m−3. Our research reveals that the SETMI model can give reliable estimates of regional wheat water productivity by examining its spatial and temporal fluctuations and facilitating the creation of regional benchmark values.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causing the coronavirus disease 2019 (COVID-19) pandemic is a serious global threat until we identify the effective preventive and therapeutic strategies. SARS-CoV-2 infection is characterized by various immunopathological consequences including lymphocyte activation and dysfunction, lymphopenia, cytokine storm, increased level of neutrophils, and depletion and exhaustion of lymphocytes. Considering the low level of antibody-mediated protection during coronavirus infection, understanding the role of T cell for long-term protection is decisive. Both CD4 + and CD8 + T cell response is imperative for cell-mediated immune response during COVID-19. However, the level of CD8 + T cell response reduced to almost half as compared to CD4 + after 6 months of infection. The long-term protection is mediated via generation of immunological memory response during COVID-19. The presence of memory CD4 + T cells in all the severely infected and recovered individuals shows that the memory response is predominated by CD4 + T cells. Prominently, the antigen-specific CD4 + and CD8 + T cells are specifically observed during day 0 to day 28 in COVID-19-vaccinated individuals. However, level of antigen-specific T memory cells in COVID-19-vaccinated individuals defines the long-term protection against forthcoming outbreaks of SARS-CoV-2.

We estimate the combined effect of climate and landuse-landcover (LU-LC) change on the streamflow of the Betwa River; a semi-arid catchment in Central India. We have used the observed and future bias-corrected climatic datasets from 1980–2100. To assess the LU-LC change in the catchment, we have processed and classified the Landsat satellite images from 1990–2020. We have used Artificial Neural Network (ANN) based Cellular Automata (CA) model to simulate the future LU-LC. Further, we coupled the observed and projected LU-LC and climatic variables in the SWAT (Soil and water assessment tool) model to simulate the streamflow of the Betwa River. In doing so, we have setup this model for the observed (1980–2000 and 2001–2020) and projected (2023–2060 and 2061–2100) time periods by using the LU-LC of the years 1990, 2018, and 2040, 2070, respectively. We observed that the combined effect of climate and LU-LC change resulted in the reduction in the mean monsoon stream flow of the Betwa River by 16% during 2001–2020 as compared to 1982–2000. In all four CMIP6 climatic scenarios (SSP126, SSP245, SSP370, and SSP585), the mean monsoon stream flow is expected to decrease by 39–47% and 31–47% during 2023–2060 and 2061–2100, respectively as compared to the observed time period 1982–2020. Furthermore, average monsoon rainfall in the catchment will decrease by 30–35% during 2023–2060 and 23–30% during 2061–2100 with respect to 1982–2020.

Monocrotophos (MCP) is a widely used organophosphate (OP) pesticide. We studied apoptotic changes and their correlation with expression of selected cytochrome P450s (CYPs) in PC12 cells exposed to MCP. A significant induction in reactive oxygen species (ROS) and decrease in glutathione (GSH) levels were observed in cells exposed to MCP. Following the exposure of PC12 cells to MCP (10(-5) M), the levels of protein and mRNA expressions of caspase-3/9, Bax, Bcl(2), P(53), P(21), GSTP1-1 were significantly upregulated, whereas the levels of Bclw, Mcl1 were downregulated. A significant induction in the expression of CYP1A1/1A2, 2B1/2B2, 2E1 was also observed in PC12 cells exposed to MCP (10(-5) M), whereas induction of CYPs was insignificant in cells exposed to 10(-6) M concentration of MCP. We believe that this is the first report showing altered expressions of selected CYPs in MCP-induced apoptosis in PC12 cells. These apoptotic changes were mitochondria mediated and regulated by caspase cascade. Our data confirm the involvement of specific CYPs in MCP-induced apoptosis in PC12 cells and also identifies possible cellular and molecular mechanisms of organophosphate pesticide-induced apoptosis in neuronal cells.