Exploring the nuclear proteins, viral capsid protein, and early antigen protein using immunoinformatic and molecular modeling approaches to design a vaccine candidate against Epstein Barr virus.

The available Epstein Barr virus vaccine has tirelessly harnessed the gp350 glycoprotein as its target epitope, but the result has not been preventive. Right here, we designed a global multi-epitope vaccine for EBV; with special attention to making sure all strains and preventive antigens are covered. Using a robust computational vaccine design approach, our proposed vaccine is armed with 6-16 mers linear B-cell epitopes, 4-9 mer CTL epitopes, and 8-15 mer HTL epitopes which are verified to induce interleukin 4, 10 & IFN-gamma. We employed deep computational mining coupled with expert intelligence in designing the vaccine, using human Beta defensin-3-which has been reported to induce the same TLRs as EBV-as the adjuvant. The tendency of the vaccine to cause autoimmune disorder is quenched by the assurance that the construct contains no EBNA-1 homolog. The protein vaccine construct exhibited excellent physicochemical attributes such as Aliphatic index 59.55 and GRAVY - 0.710; and a ProsaWeb Z score of - 3.04. Further computational analysis revealed the vaccine docked favorably with EBV indicted TLR 1, 2, 4 & 9 with satisfactory interaction patterns. With global coverage of 85.75% and the stable molecular dynamics result obtained for the best two interactions, we are optimistic that our nontoxic, non-allergenic multi-epitope vaccine will help to ameliorate the EBV-associated diseases-which include various malignancies, tumors, and cancers-preventively.

Eco-systematic assessment of the spring herbaceous vegetation under edaphic and topographic effects.

The distribution and composition of the vegetation are greatly affected by the edaphology and topography of an area. The current study explores the vegetation structure of the herbaceous layer at various habitats of district Kohat for the first time. A survey was conducted during the spring seasons of 2021, 2022 and 2023 selecting 40 sites on the basis of edaphology, topography, altitude, aspect and status. Data was collected via quadrat approach to establish plant communities by species Importance Value (IV), point out dominant species by Total IV (TIV) and dominant families via Total Family IV (TFIV). The quantitative biological spectrum was also calculated. Communities' phytosociological characteristics were analyzed via various diversity indices (Shannon's Index (H), Simpson's Index (D), Species Richness (SR), Evenness (E) and Maturity index (Mi)) while similarity between the communities was calculated by using Sorensen's Index. The findings revealed a total of 253 species belonging to 57 families having the dominant species Cynodon dactylon (L.) Pers. (TIV, 484.3) followed by Saussuria heteromalla (D. Don) Hand. (TIV, 360.4), Anagallis arvensis L. (TIV, 353.2) and Aristida adscensionis L. (TIV, 349.65). Among 40 plant communities, Poaceae (TFIV, 2706.6), Asteraceae (TFIV, 2018.8), Fabaceae (TFIV, 1071.5) and Brassicaceae (TFIV, 825.9) were the dominant families. Therophytes (TIV, 7882) class was the dominant life form class followed by hemicryptophytes (TIV, 2517) while microphylls (TIV, 4669) class was the dominant leaf size class followed by nanophylls (TIV, 5469). Environmental factors i.e. topography and edaphic characteristics, showed significant effects on the diversity of the communities. The study concludes in a diverse pattern of distribution with a rich flora in the area warranting its documentation which will preserve the valuable species opening vistas for future research.

Assessment of drinking water quality using Water Quality Index and synthetic pollution index in urban areas of mega city Lahore: a GIS-based approach.

The aim of the present study was to assess the drinking water quality in the selected urban areas of Lahore and to comprehend the public health status by addressing the basic drinking water quality parameters. Total 50 tap water samples were collected from groundwater in the two selected areas of district Lahore i.e., Gulshan-e-Ravi (site 1) and Samanabad (site 2). Water samples were analyzed in the laboratory to elucidate physico-chemical parameters including pH, turbidity, temperature, total dissolved solids (TDS), electrical conductivity (EC), dissolved oxygen (DO), total hardness, magnesium hardness, and calcium hardness. These physico-chemical parameters were used to examine the Water Quality Index (WQI) and Synthetic Pollution Index (SPI) in order to characterize the water quality. Results of th selected physico-chemical parameters were compared with World Health Organization (WHO) guidelines to determine the quality of drinking water. A GIS-based approach was used for mapping water quality, WQI, and SPI. Results of the present study revealed that the average value of temperature, pH, and DO of both study sites were within the WHO guidelines of 23.5 °C, 7.7, and 6.9 mg/L, respectively. The TDS level of site 1 was 192.56 mg/L (within WHO guidelines) and whereas, in site 2 it was found 612.84 mg/L (higher than WHO guidelines), respectively. Calcium hardness of site 1 and site 2 was observed within the range from 25.04 to 65.732 mg/L but, magnesium hardness values were higher than WHO guidelines. The major reason for poor water quality is old, worn-out water supply pipelines and improper waste disposal in the selected areas. The average WQI was found as 59.66 for site 1 and 77.30 for site 2. Results showed that the quality of the water was classified as "poor" for site 1 and "very poor " for site 2. There is a need to address the problem of poor water quality and also raise the public awareness about the quality of drinking water and its associated health impacts.

Optimization of glass scrap recovery and reuse in road construction for promising physicochemical stabilization.

Waste glass is hugely present in Morocco, and can be recycled for many geotechnical purposes, including road construction. In contrast, earthworks often produce significant amounts of clay waste that lack the necessary technical criteria for use as barriers. The present work aimed to study the influence of the addition of glass waste on the evolution of the mechanical characteristics of clays stabilized with crushed glass (particles less than 63 µm). The work consists of carrying out CBR, Proctor, and shear tests on natural clay taken as a reference and mixtures (clay-crushed glass) at different percentages. Results showed that the addition of glass to clay decreases the swelling and compaction indices along with modifying the intrinsic characteristics of the clay.

Molecular modeling and simulation approaches to characterize potential molecular targets for burdock inulin to instigate protection against autoimmune diseases.

In the current study, we utilized molecular modeling and simulation approaches to define putative potential molecular targets for Burdock Inulin, including inflammatory proteins such as iNOS, COX-2, TNF-alpha, IL-6, and IL-1ß. Molecular docking results revealed potential interactions and good binding affinity for these targets; however, IL-1ß, COX-2, and iNOS were identified as the best targets for Inulin. Molecular simulation-based stability assessment demonstrated that inulin could primarily target iNOS and may also supplementarily target COX-2 and IL-1ß during DSS-induced colitis to reduce the role of these inflammatory mechanisms. Furthermore, residual flexibility, hydrogen bonding, and structural packing were reported with uniform trajectories, showing no significant perturbation throughout the simulation. The protein motions within the simulation trajectories were clustered using principal component analysis (PCA). The IL-1ß-Inulin complex, approximately 70% of the total motion was attributed to the first three eigenvectors, while the remaining motion was contributed by the remaining eigenvectors. In contrast, for the COX2-Inulin complex, 75% of the total motion was attributed to the eigenvectors. Furthermore, in the iNOS-Inulin complex, the first three eigenvectors contributed to 60% of the total motion. Furthermore, the iNOS-Inulin complex contributed 60% to the total motion through the first three eigenvectors. To explore thermodynamically favorable changes upon mutation, motion mode analysis was carried out. The Free Energy Landscape (FEL) results demonstrated that the IL-1ß-Inulin achieved a single conformation with the lowest energy, while COX2-Inulin and iNOS-Inulin exhibited two lowest-energy conformations each. IL-1ß-Inulin and COX2-Inulin displayed total binding free energies of - 27.76 kcal/mol and - 37.78 kcal/mol, respectively, while iNOS-Inulin demonstrated the best binding free energy results at - 45.89 kcal/mol. This indicates a stronger pharmacological potential of iNOS than the other two complexes. Thus, further experiments are needed to use inulin to target iNOS and reduce DSS-induced colitis and other autoimmune diseases.

Optimization of an experimental study of cationic Pb metal adsorption by resin polymer.

To eliminate lead (Pb) ions from metallic solutions, the cationic resin in solid form was utilized. The characterization of the adsorbent was performed using GTA/GTD, SEM spectroscopy, and EDX analysis. The results of these analyses provided insights into the structure and composition of the resin. The removal of Pb (II) ions was found to be highly dependent on various parameters. Firstly, the pH of the metal solution played a crucial role, as the adsorption capacity increased with the pH of the solution, at a maximum equal to (R = 84.78%), at a pH = 8.0. Additionally, the concentration of Pb (II) ions present in the solution influenced the adsorption technique's capacity, with higher concentrations leading to increased adsorption, analysis overhead of high concentration present (100 mg L-1) of the metal lead (II) study, a saturation corresponding a plateau to the resin polymeric saturation is 93.18 mg g-1. To determine the optimal mass of the resin adsorbent, a study was conducted to maximize the removal of Pb (II) ions, at the mass 1.0 g showed that the proportion of inorganic pollutants removed from Pb (II) is entirely qualitative (100%). Furthermore, the effect of temperature on the adsorption process was investigated. It was observed that the rate of the Pb (II) adsorption process decreased as the temperature increased. Kinetic studies were performed to gain further insights into the adsorption process. Pseudo-first-order and pseudo-second-order models, along with the intra-particle diffusion model, were utilized for this purpose. The results indicated that the adsorption process was fast, as evidenced by the findings from the pseudo-second-order study. The saturation technical process was studied, employing several different isothermal models, including Langmuir, Freundlich, and Temkin. Among these models, the Langmuir model was found to best describe the phenomenon of lead metal adsorption by the resin polymeric, is equal to 11.23 mg g-1, with the experimental value precisely (R2 = 0.999). Finally, various thermodynamic techniques were applied to analyze the adsorption process. The thermodynamic parameters such as ΔG° (- 9.78 to - 9.27 kJ mol-1), ΔH° (14.85 kJ mol-1), and ΔS° (0.017 kJ mol-1) were determined. These values indicated that the adsorption process was endothermic and spontaneous, further emphasizing its impetuous nature. The results of the molecular dynamics calculations demonstrated that amino groups are very important in defining the characteristics of cation adsorption. We conclude that this new adsorbent has the potential to significantly improve the process of regularly removing heavy metal ions from wastewater.