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Purpose: Low back pain (LBP) and its association with disability has emerged as an area of concern. This study aimed to investigate the influence of demographic, low back pain on disability to provide insights for informed interventions enhancing students’ inclusive health and wellbeing. Materials & Methods: A cross-sectional study was conducted among 351 students of all genders, aged 17 to 30. Nordic questionnaire was used to check the prevalence of low back pain. Oswestry disability index was employed to assess the back pain induced disability. Logistic regression analysis was used to analyse the association between risk factors and LBP. Results: Among students, the total prevalence of LBP was 81.5%. Adjusted odds ratio and standardized coefficient, variables such as year of study (OR = 2.526, CI = 1.629–3.923), mode of study (OR = 4.725, CI = 1.767–12.630), and duration of electronic gadgets usage (OR = 2.912, CI = 1.544–5.490) were found to be independent risk factors and predictors for the occurrence of LBP among university students. Conclusion: The study results demonstrate a substantial association between the use of computers, year of study, and use of electronic gadgets with prevalence of low back discomfort. Future investigations should focus on strategies to emphasize the significance of ergonomic guidance about computer usage and managing study workload throughout different academic years among university students.

The study investigated the structure, spectroscopy, and chemical reactivity of 2′,4′-dichloroacetophenone using DFT and Hartree-Fock (HF) methods. The B3LYP and LC DFT (CAM-B3LYP) methods were applied to a 6–311++G (d, p) basis set combination. The bond angles and bond lengths are appraised in depth to understand the geometrical framework. The FT-IR and FT-Raman spectra of the respective compound were analyzed within the regions of 4000–400 cm−1 respectively. The experimental spectra were compared and discussed in connection with the theoretical spectrum. The VEDA program was implemented to accomplish the vibrational assignments of all the fundamentals highlighted using the PED analysis. TD-DFT level was used to explore the essential electronic properties of LUMO and HOMO energies. To forecast reactive sites, the MEP surface was examined. NBO was computed according to the compound’s reactivity and biological requirements. The Multi-Wave Function Analyzer 3.6 was designed to examine and compare topological inquiries, specifically focusing on the LOL and ELF. The detailed investigation specifies the drug likeness and molecular docking that assisted in the prediction of the physicochemical, pharmacokinetic, and biological availability of 2′,4′-dichloroacetophenone.

Heavy metal pollution poses significant environmental and health risks due to the toxic effects of metals like copper and chromium at elevated concentrations. Despite their essential roles in trace amounts, these metals can be highly toxic. Bacteria such as Pseudomonas aeruginosa are promising candidates for bioremediation due to their robustness and adaptability. The objective of this study was to analyze and identify potential copper and chromium binding genes involved in metal detoxification in Pseudomonas aeruginosa PA01. The heavy metal binding protein identified as ferredoxin using MALDI-TOF/PMF-MS analysis was further characterized. The structure of the ferredoxin protein was elucidated using the SWISS-MODEL tool. Metal-binding domains were validated through a pattern search against UniProtKB/Swiss-Prot and UniProtKB/TrEMBL databases using the ScanProsite tool. Comparative sequence alignments were conducted between the copper-binding NosD gene of P. aeruginosa, the ferredoxin gene of P. aeruginosa PA01, and the chromium-binding iron hydrogenase 1 gene of Clostridium chromiireducens. The SWISS-MODEL analysis revealed alpha helices and beta sheets with key metal-coordinating amino acids (cysteine, glutamic acid, aspartic acid, histidine, and methionine). The ScanProsite tool confirmed the presence of a 4Fe-4S ferredoxin-type iron-sulphur binding domain essential for coordinating chromium and copper ions. Sequence alignments showed a 64.29 % similarity between the NosD gene and ferredoxin gene, and a 67 % identity between the iron hydrogenase 1 gene and ferredoxin gene, with correlations in amino acid residues involved in metal binding. These findings suggest that the ferredoxin gene could effectively bind heavy metal ions, offering potential applications in bioremediation of metal-polluted soils using Pseudomonas species. This study contributes to sustainable agricultural productivity by facilitating the targeted remediation of heavy metal-contaminated soils through biological means.

Alzheimer’s disease (AD) is a major cause of disability and one of the top causes of mortality globally. AD remains a major public health challenge due to its prevalence, impact on patients and caregivers, and the current lack of a cure. In recent years, polyphenols have garnered attention for their potential therapeutic effects on AD. The objective of the study was to establish network pharmacology between selected polyphenols of plant origin and AD. Insilico tools such as SwissADME, ProTox3.0, pkCSM, Swiss Target Prediction, DisGeNET, InterActiVenn, DAVID database, STRING database, Cytoscape/CytoHubba were employed to establish the multi-target potential of the polyphenolic compounds. The present study revealed that out of 17 polyphenols, 10 ligands were found to possess a drug-likeness nature along with desirable pharmacokinetic parameters and a lesser toxicity profile. Also, the results highlighted the possible interactions between the polyphenols and the disease targets involved in AD. Further, this study has shed light on the mTOR pathway and its impact on AD through the autophagic mechanism. Overall, this study indicated that polyphenols could be a better therapeutic option for treating AD. Hence, the consumption of polyphenolic cocktails as a part of the diet could produce more effective outcomes against the disease. Additional studies are warranted in the future to explore additional pathways and genes to provide a comprehensive understanding regarding the usage of the shortlisted polyphenols and their derivatives for the prevention and treatment of AD.

Green synthesis methods for making nanoparticles using plant extracts have gained considerable attention in recent years, particularly because of their potential applications in nanomedicine. Plant biosynthesized nanoparticles have shown noteworthy biomedical uses in comparison. The silver nanoparticle (AgNP) synthesized using extracts from the leaves and flowers of Cymbopogon citratus Linn was investigated for its antibacterial and anticancer properties. The biosynthesized AgNPs were characterized using UV–Vis, FTIR, DLS, EDX and SEM. The presence of alcohol, alkene, and phytochemicals in the AgNPs was confirmed using FTIR analysis. The investigation using SEM with EDX spectroscopy confirmed that the AgNPs were both pure and in the form of nanocrystals. Furthermore, AgNPs demonstrated significant antibacterial activity by efficiently suppressing bacterial growth. The biosynthesized AgNPs exhibited a concentration-dependent reduction in the lung cancer-A549 cell growth. The ethanolic extracts of C. citratus flower-synthesized AgNPs contain a wide range of phytochemical constituents. These components have been shown to effectively modulate antibacterial and anticancer activities, superior to the effects of leaf extracts synthesized AgNPs. Consequently, additional research is required to investigate the potential biomedical applications of these biosynthesized AgNPs.

Density Functional Theory (DFT) and Molecular docking are pivotal computational techniques in modern chemistry and drug design. This work investigates the electronic structure and reactivity of 2-thiophenecarbonitrile (2TCN) with an emphasis on important factors such as HOMO-LUMO energy gap, MEP, Mulliken atomic charges, natural population analysis, and Mutiwfn (ELF, LOL, ALIE, and RDG) analysis. The MEP and FMO studies were calculated in various solvents like acetonitrile, water, gas, and methanol. The anti-inflammatory and antioxidant investigations revealed substantial activities by 2TCN. Additionally, molecular docking studies are performed to elucidate the binding interaction between the compound and target proteins, providing insights into its potential therapeutic mechanisms. The results demonstrate the binding energies, interaction residues, and the most favorable docking poses. This approach underscores the integration of theoretical and computational methods in advancing molecule design and therapeutic discovery.

This study focuses on the development and characterization of a biotic spinel CoFe2O4 nanosphere, synthesized using Rhizophora mucronata leaf, for textile pollutant removal via a photoresponsive process. The structure, morphology, and composition of the nanosphere will be analyzed using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FTIR). The study also investigates the antimicrobial properties of the nanosphere to explore its potential in inhibiting harmful microorganisms in the textile industry. The research aims to provide insights into the feasibility of using CoFe2O4 nanospheres for efficient and eco-friendly textile pollutant removal and microbial control.

Infections and pests affecting plants pose significant threats to global food security. Over the top utilize of chemical pesticides is frequently utilized to diminish the impacts of plant illnesses caused by bacterial and parasitic pathogens. The greatest concern as we work towards more feasible horticulture is expanding agrarian efficiency for a developing populace. Microbial biocontrol operators (MBCAs) have illustrated their viability as a green procedure to oversee plant illnesses, invigorate edit development and execution, and increment yields. Other than their growth-promoting part, plant growth-promoting bacteria/fungi (PGPR/PGPF) can stifle plant illnesses by creating inhibitory chemicals and actuating a plant resistant reaction against plant pathogens. As biofertilizers and biopesticides, PGPR and PGPF are considered financially practical and appealing strategies for economical horticulture; This leads to a “win–win” circumstance. A few strains of PGPR and PGPF have been distinguished as compelling BCAs beneath controlled natural conditions. In common, any MBCA must overcome certain challenges some time recently it can be enrolled or broadly utilized for disease/pest control. Viable MBCA gives a down to earth arrangement to progress nursery edit execution with decreased fertilizer inputs and chemical pesticide utilization. This current audit points to fill the current crevice in information on plant growth-promoting microorganisms (PGPM), drawing consideration to the logical premise for arrangement, improvement proposals and extra investigate related to commercial utilize of PGPM.

Cerium oxide fine particles injected with metallic nanoparticles were produced using the co-precipitation method and characterized using various techniques such as XRD, SEM, FTIR, UV–Vis, and PL. Both injected and non-doped ceria nanoparticles exhibited a crystallographic structure similar to calcium fluoride. The nanoparticles ranged in size from 25 to 74 nm and had an inconsistent spherical shape. EDX analysis confirmed the presence of Erbium (Er) and Barium (Ba) in the ceria nanocrystal lattices. UV–Vis experiments showed that the optical band gap efficiency of purified CeO2 NPs was 3.1 eV, while doped CeO2 NPs had an energy level of 2.9 eV. The nanoparticles exhibited a sharp emission peak at approximately 347 nm. The synthesized CeO2 NPs showed antibacterial activity against Gram-positive and Gram-negative bacteria, including Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. Overall, the results demonstrate that the doping of ceria nanoparticles with metallic nanoparticles can significantly enhance their antibacterial properties. This research paves the way for the development of novel antibacterial agents with potential applications in various fields such as medicine, food packaging, and water treatment.

This research descibes a pioneering approach aimed at preparing zinc oxide nanoparticles (ZnO-NPs) with colchicine as the reducing and capping agent. Colchicine-loaded ZnO-NPs (CHZnO-NPs) were prepared by adding colchicine to the zinc sulfate heptahydrate solution. The CHZnO-NPs formulation was then characterized to determine the morphology, size, crystallinity, elemental composition and vibrational properties. Upon characterization, CHZnO-NPs were studied for their cytotoxic effect against the breast cancer cell line (MDA-MB-231). The successful biosynthesis of CHZnO-NPs was initially confirmed visually by the changes in the mixture color, from light-yellow to white cloudy. The best CHZnO-NPs formulation selected was F3, which possessed 10 mg/mL of colchicine. Formulation (F3) had the smallest mean particle diameter of 43.77 nm and the lowest zeta potential of −19.60 mV. It also had 92.21 ± 0.012 % encapsulation efficiency and 20.86 ± 0.005 % drug loading. Formulation (F3) displayed a hexagonal wurtzite structure with irregular morphology. The observation of colchicine peaks on the FTIR spectra of F3 proved the role of colchicine as a reducing and capping agent during the synthesis of ZnO-NPs. Besides, the in-vitro cell cytotoxicity study on the MDA-MB-231 cell line revealed a significant reduction in cell proliferation at the concentration of 25 μg of colchicine and F3. Further, studies on the cellular migration potential also demonstrated concentration-dependent activity. Overall, CHZnO-NPs were shown to be successfully synthesized via an environmental-friendly procedure and colchicine acted as a capping agent to regulate the particle size, and aggregation, in addition to its anticancer properties.

The newly synthesized imidazole derivative namely, 4,5-bis[(E)-2-phenylethenyl]-1H,1′H-2,2′-biimidazole (KA1), was studied for its molecular geometry, docking studies, spectral analysis and density functional theory (DFT) studies. Experimental vibrational frequencies were compared with scaled ones. The reactivity sites were determined using average localized ionization analysis (ALIE), electron localized function (ELF), localized orbital locator (LOL), reduced density gradient (RDG), Fukui functions and frontier molecular orbital (FMO). Due to the solvent effect, a lower gas phase energy gap was observed. Through utilization of the noncovalent interaction (NCI) method, the hydrogen bond interaction, steric effect and Vander Walls interaction were investigated. Molecular docking simulations were employed to determine the specific atom inside the molecules that exhibits a preference for binding with protein. The parameters for the molecular electrostatic potential (MESP) and global reactivity descriptors were also determined. The thermodynamic characteristics were determined through calculations employing the B3LYP/cc-pVDZ basis set. Antimicrobial activity was carried out using the five different microorganisms like Escherichia coli, Streptococcus pneumoniae, Staphylococcus aureus, Klebsiella pneumoniae and Candida albicans.

The (E)-4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino) pyrimidin-2(1H)-one (C5NV) was synthesized from cytosine and 5-nitrovanilline by simple straightforward condensation reaction. The structural characteristics of the compound was determined and optimized by WB97XD/cc-pVDZ basis set. The vibrational frequencies were computed and subsequently compared to the experimental frequencies. We investiated the electronic properties of the synthesized compound in gas and solvent phases using the time-dependent density functional theory (TD-DFT) approach, and compared them to experimental values. The fluorescence study showed three different wavelengths indicating the nature of the optical material properties. Frontier molecular orbital (FMO) and molecular electrostatic potential (MEP) analyses were conducted for the title compound, and electron localized functions (ELF) and localized orbital locators (LOL) were used to identify the orbital positions of localized and delocalized atoms. Non-covalent interactions (H-bond interactions) were investigated using reduced density gradients (RDGs). The objective of the study was to determine the physical, chemical, and biological properties of the C5NV. The molecular docking study was conducted between C5NV and 2XNF protein, its lowest binding energy score is −7.92 kcal/mol.

The synthesis of a new class of effective antibiotics and antimicrobial agents with less toxicity is highly desirable due to bacterial resistance to antibiotics has increased dramatically. In this context, molecules that embedding a spiro moiety are attractive from a medicinal chemistry point of view as these spiro heterocycles show a vital part in the development of delivery systems for antimicrobial therapies. In the present study, the synthesis and antimicrobial evaluation of structurally attractive complex hybrid heterocycles comprising spriooxindolopyrrolidine and indole heterocycles was attained in quantitative yields by cycloaddition strategy. The new class of spirocompouds were unequivocally assigned through spectroscopic analysis and the antimicrobial efficacy were assessed against six microbial pathogens. Among them, compound 4a, bearing chlorine substituted derivative showed significant activity against tested ESKAPE pathogens. The maximum zone of inhibition observed against ESKAPE microbial pathogens causing infectious disease ranged from 6.75 ± 0.40 to 19.75 ± 1.15 mm, with MIC values ranging between 16.00 to > 256.00 µg/ml .

The study examined various properties of synthesized copolyesters PESC and PPSC. Inherent viscosities of the copolyesters, measured in 1,4-dioxane at 32 °C, were 0.65 dL/g for PESC and 0.73 dL/g for PPSC. Fourier-Transform Infrared Spectroscopy (FT-IR) revealed distinct absorption bands associated with ester carbonyl stretching, C–H bending vibration, C–H group symmetry stretching, and C–O stretching vibrations. 1H and 13C Nuclear magnetic Resonance (NMR) spectroscopy were used to identify specific protons and carbon groups in the polymer chain, revealing the molecular structure of the copolyesters. Differential Scanning Calorimetry (DSC) identified the glass transition, melting, and decomposition temperatures for both copolyesters, indicating variations in the crystalline nature of the copolymers. XRD Spectral studies further elaborated on the crystalline nature, indicating that PPSC is less amorphous than PESC. Biodegradation analysis showed that PESC degrades more quickly than PPSC, with degradation decreasing as the number of methylene groups increase. Scanning Electron Microscopy (SEM) images depicted the surface morphology of the copolyesters before and after degradation, revealing a more roughened surface with pits post-degradation. These findings provide comprehensive insights into the structural and degradable properties of PESC and PPSC copolyesters.

In this work, the mixture of trisodium cittrate and Zn2+ was used as binary (hetero type) inhibitor for corrosion inhibition of copper metal in potable water. The binary inhibitor system (Zn2+ and trisodium citrate) was used to form hydrophobic surfaces on copper submerged in potable water. Water contact angle (WCA) was found to be 155°4° when the inhibitor was present, whereas it was 84°2° when there was no inhibitor. These observations suggested the development of superhydrophobic layer on the surface of copper in drinkable water. Electrochemical impedance spectroscopy (EIS – AC mode), and potentiodynamic polarization (DC mode) experiments conveyed that the copper surface could be protected by utilizing the mixture of trisodium citrate and Zn2+ in potable water. The morphological studies including SEM (coupled with EDX), AFM, and WCA were evidenced the formulation of a hetero-type inhibitor for the corrosion inhibition of copper in potable water. In this study, the decline in the double-layer capacitance and the rise in the charge transfer resistance were due to the adsorption of inhibitor confirming the development of protective layer, which EIS, SEM, EDX, AFM, and WCA studies also supported. Thus, there was a synergism observed between TSC and Zn2+, and the formulation consisting of TSC and Zn2+ provided 83% of inhibition efficiency (IEp). So, it was suggested that the approach reported in this study could be a simple method for obtaining the superhydrophobic copper surface.

Incessant utilization of chemical fertilizers leads to the accumulation of minerals in the soil, rendering them unavailable to plants. Unaware of the mineral reserves present in the soil, farming communities employ chemical fertilizers once during each cultivation, a practice that causes elevated levels of insoluble minerals within the soil. The use of biofertilizers on the other hand, reduces the impact of chemical fertilizers through the action of microorganisms in the product, which dissolves minerals and makes them readily available for plant uptake, helping to create a sustainable environment for continuous agricultural production. In the current investigation, a field trial employing Arachis hypogaea L was conducted to evaluate the ability of Pseudomonas aeruginosa to enhance plant growth and development by solubilizing minerals present in the soil (such as zinc and phosphorus). A Randomized Complete Block Design (RCBD) included five different treatments as T1: Un inoculated Control; T2: Seeds treated with a liquid formulation of P. aeruginosa; T3: Seeds treated with a liquid formulation of P. aeruginosa and the soil amended with organic manure (farmyard); T4: Soil amended with organic manure (farmyard) alone; T5: Seeds treated with lignite (solid) based formulation of P. aeruginosa were used for the study. Efficacy was determined based on the plant's morphological characters and mineral contents (Zn and P) of plants and soil. Survival of P. aeruginosa in the field was validated using Antibiotic Intrinsic patterns (AIP). The results indicated that the combination treatment of P. aeruginosa liquid formulation and organic fertilizer (farmyard) (T3) produced the highest biometric parameters and mineral (Zn and P) content of the groundnut plants and the soil. This outcome is likely attributed to the mineral solubilizing capability of P. aeruginosa. Furthermore, the presence of farmyard manure increased the metabolic activity of P. aeruginosa by inducing its heterotrophic activity, leading to higher mineral content in T3 soil compared to other soil treatments. The AIP data confirmed the presence of the applied liquid inoculant by exhibiting a similar intrinsic pattern between the in vitro isolate and the isolate obtained from the fields. In summary, the Zn and P solubilization ability of P. aeruginosa facilitates the conversion of soil-unavailable mineral form into a form accessible to plants. It further proposes the utilization of the liquid formulation of P. aeruginosa as a viable solution to mitigate the challenges linked to solid-based biofertilizers and the reliance on mineral-based chemical fertilizers.

The major goal of this investigation was to prepare carvedilol nanocrystals (CRL-NCs) for better solubility, stability, and bioavailability. Using polyvinyl pyrolidine K-30 (PVP) and sodium dodecyl sulphate (SDS) as stabilisers, CRL-NCs were effectively synthesised by emulsion-diffusion, followed by the high-pressure homogenization (HPH) method. The AL classes of phase solubility curves with ideal complexes produced with stabilisers were estimated by thermodynamic parameters. The docking study was performed with the active site of a β-1 adrenoreceptor protein, and the CRLs docking score was revealed as −23.481 Kcal/mol−1. At 25 and 37 °C, the optimum interaction constant was determined for PVP (144 and 176 M−1) and SDS (102 and 121 M−1). The average particle size (PS) of the produced stable CRL-NCs is 58 nm, with a zeta potential of −27.2 ± 2.29 mV, a poly dispersibility index of 0.181 ± 0.012, a percentage yield of 78.7 ± 3.41, drug content of 96.81 ± 3.64%, and entrapment efficiency of 83.61 ± 1.80%. The morphological data also reveals that the CRL-NCs were nearly sphere shaped, with distinct and smooth surfaces. CRL-NCs were studied using X-ray diffraction (XRD), fourier transform infrared (FT-IR) spectroscopy, and differential scanning calorimetry (DSC), and the results show no chemical structural alterations, even when PS was reduced. NCs accelerate their in vitro dissolution release rate by about three times faster than CRL-MCs (microcrystals). When kept at 4 °C, the CRL-NCs exhibit good physical stability for six months. As a result, the CRL-NCs created via emulsion-diffusion followed by HPH with stabilisers can be used to increase the solubility, stability, and bioavailability of poorly soluble or lipophilic drugs.