Impact of solid waste dumping on soil quality and its potential risk on human health and environment.

The soil, comprising minerals, organic matter, and living organisms, serves as a critical component of our environment. However, anthropogenic activities, such as uncontrolled sewage disposal and industrial waste, have led to pervasive soil pollution, impacting ecosystems and human health. This comprehensive study scrutinizes the intricate dynamics of soil pollution resulting from open waste dumping, specifically examining its impact on the health of local communities and the environment in Haridwar municipality. In this study, four solid waste dumping sites were meticulously surveyed, with soil samples analyzed for 19 parameters through statistical tools like one-way ANOVA, Kruskal-Wallis tests, soil pollution indices, and potential health risk assessment. The Geo-accumulation Index (Igeo) and contamination factor (CF) followed the heavy metals in the order of Zn > Mn > Fe > Cu in all selected sites. Additionally, a potential health risk assessment considered ingestion, inhalation, and dermal exposure pathways, revealing a high non-carcinogenic risk of metals (Mn > Fe > Zn > Cu) for both children and adults. In the ingestion pathway, the hazard quotient indicated a high risk of metals for both children and adults in the range of 1192.73 to 2066.94 for child and 191.98 to 312.16 for adults. Crucially, the HQ revealed potential health risks, emphasizing the urgency of addressing metal contamination. However, the findings indicate that dumping sites directly or indirectly affects the local people of Haridwar municipality. Therefore, this study provides a baseline framework for minimizing the impact of dumping sites on local population and the environment.

Assessment of Iron Biosorption Potential by Live and Dead Biomass of Bacillus subtilis (MN093305) from Aqueous Solution.

Heavy metals polluted aquatic ecosystems and become a global environmental issue due to their toxic effect on all forms of ecosystems and further on all forms of life. Heavy metals are non- degradable and accumulated in different life forms by accumulating in the food chain; this increases the need for the development of a sustainable method for the removal of these metals. Biosorption is an eco-friendly and cost-effective convenient technique of heavy metal bioremediation from the contaminated aquatic ecosystem. The current investigation involves biosorption of iron using Bacillus subtilis strain (MN093305) isolated from Ganga river at different physical parameters with the highest rate of biosorption was 96.64%, 98.91%, 97.88%, and 99.44% at pH 5, 60 min incubation period, 35 °C temperature and 2.5 mg/ml of biomass respectively for dead biomass. Living biomass biosorption rate was 87.32%, 96.74%, 96.94% and 95.02% at pH 7, 72 h, 35 °C and 2.5 mg/ml respectively. Functional groups involved in the biosorption of iron by Bacillus subtilis were fitted to a second-order kinetic model. Langmuir and Freundlich's isotherm are used to evaluate data; both isotherms indicate iron absorption as a favorable process.

Understanding the self-assembly dynamics of A/T absent 'four-way DNA junctions with sticky ends' at altered physiological conditions through molecular dynamics simulations.

Elucidation of structure and dynamics of alternative higher-order structures of DNA such as in branched form could be targeted for therapeutics designing. Herein, we are reporting the intrinsically dynamic and folds transitions of an unusual DNA junction with sequence d(CGGCGGCCGC)4 which self-assembles into a four-way DNA junction form with sticky ends using long interval molecular simulations under various artificial physiological conditions. The original crystal structure coordinates (PDB ID: 3Q5C) for the selected DNA junction was considered for a total of 1.1 µs molecular dynamics simulation interval, including different temperature and pH, under OPLS-2005 force field using DESMOND suite. Following, post-dynamics structure parameters for the DNA junction were calculated and analyzed by comparison to the crystal structure. We show here that the self-assembly dynamics of DNA junction is mitigated by the temperature and pH sensitivities, and discloses peculiar structural properties as function of time. From this study it can be concluded on account of temperature sensitive and pH dependent behaviours, DNA junction periodic arrangements can willingly be synthesized and redeveloped for multiple uses like genetic biomarkers, DNA biosensor, DNA nanotechnology, DNA Zipper, etc. Furthermore, the pH dis-regulation behaviour may be used to trigger the functionality of DNA made drug-releasing nanomachines.

Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations.

Sirtuin 2 (Sirt2) nicotinamide adenine dinucleotide-dependent deacetylase enzyme has been reported to alter diverse biological functions in the cells and onset of diseases, including cancer, aging, and neurodegenerative diseases, which implicate the regulation of Sirt2 function as a potential drug target. Available Sirt2 inhibitors or modulators exhibit insufficient specificity and potency, and even partially contradictory Sirt2 effects were described for the available inhibitors. Herein, we applied computational screening and evaluation of FDA-approved drugs for highly selective modulation of Sirt2 activity via a unique inhibitory mechanism as reported earlier for SirReal2 inhibitor. Application of stringent molecular docking results in the identification of 48 FDA-approved drugs as selective putative inhibitors of Sirt2, but only top 10 drugs with docking scores > - 11 kcal/mol were considered in reference to SirReal2 inhibitor for computational analysis. The molecular dynamics simulations and post-simulation analysis of Sirt2-drug complexes revealed substantial stability for Fluphenazine and Nintedanib with Sirt2. Additionally, developed 3D-QSAR-models also support the inhibitory potential of drugs, which exclusively revealed highest activities for Nintedanib (pIC50 ≥ 5.90 µM). Conclusively, screened FDA-approved drugs were advocated as promising agents for Sirt2 inhibition and required in vitro investigation for Sirt2 targeted drug development.

Spatial and temporal variation of zooplankton assemblage in the mining-impacted stretch of Ganga River, Uttarakhand, India.

The spatial and temporal variation in the distribution, abundance and assemblage structure of zooplankton were examined in a mining-impacted stretch of river Ganga. The collection of samples has been done from three different sampling zones such as Z1 (Chandi Bridge Ghat) as reference zone, Z2 (Shyampur), and Z3 (Bisanpur) as mining-intruded area from May 2017 to April 2018. During the analysis, twenty-eight species of zooplankton kindred to four groups mainly Rotifera (ten species), Protozoa (five species), Cladocera (eight species), and Copepoda (five species) were identified. In the course of analysis, it was observed that Rotifera were dominant (43.49 %) followed by Cladocera (19.58 %), Protozoa (18.31 %), and Copepoda (18.62 %). The results showed that the distribution and abundance of zooplankton fluctuated more at Z1 (reference zone) as compared with Z2 and Z3 (mining-intruded zones). The diversity indices also indicated the higher richness, abundance, and evenness of zooplankton ranging from 3.145 to 3.180 at Z1, 3.081 to 3.129 at Z2, and 3.130 to 3.175 at Z3. The canonical correspondence analysis (CCA) showed positive and negative correlation between the zooplankton and water quality of the river Ganga. The present study shows that the anthropogenic activities such as river bed mining disturbed the water quality through enhancing the turbidity and nutrients load in the aquatic system. However, these changes in water quality significantly affected the distribution and abundance of zooplankton.