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This research aimed to evaluate the performance of dyes extracted from Acacia Nilotica bark on Tencel fabric dyeing. The extraction of dye was optimized by extracting dyes with different liquor ratios. The dyeing parameters were optimized under pH values from 5 to 14. The effect of different mordants was also observed to see the shades this dye can produce on Tencel fabric. The optimum dye extraction conditions for material-to-liquor ratio were found to be 1:10. The optimum pH was found to be 12. The color yield and fastness characteristics of the dyed materials were measured to assess them. It was determined that the addition of mordants affected the color values; as a result, distinct fashion hues were produced from the same dye extract by employing various mordants. This basic study of dyeing and extracting natural dye showed that this dye has the potential to be used for cellulosic fibers.

Abstract In the current study, Azo-Thiohydantoins derivatives were synthesized and characterized by using various spectroscopic techniques including FTIR, 1H-NMR, 13C-NMR, elemental and HRMS analysis. The compounds were evaluated for alkaline phosphatase activity and it was observed that among all the synthesized compounds, derivative 7e exhibited substantial inhibitory activity (IC50 = 0.308 ± 0.065 µM), surpassing the standard inhibitor (L–Phenyl alanine, IC50 = 80.2 ± 1.1 µM). Along with this, these derivatives were comprehensively examined regarding the electronic properties and reactivity of the synthesized compounds using Density Functional Theory (DFT) calculations, where the results were found very promising and the synthesized compound were found stable. After that, SwissADME evaluations highlighted compounds for their favorable physicochemical properties, including solubility and drug-likeness. Molecular docking exhibited the strong binding affinities of 7f and 7e derivatives with intestinal alkaline phosphatase (IAP), further supported by Molecular Dynamics (MD) simulations. This comprehensive integration of experimental and computational approaches sheds the light on the potential therapeutic applications of the synthesized compounds. By providing a detailed investigation of these aspects, this research opens the avenues for the development of novel pharmacologically active compounds with diverse applications.

Amorphous solid dispersion (ASD) has emerged to be an outstanding strategy among multiple options available for improving solubility and consequently biological activity. Interestingly several binary SD systems continue to exhibit insufficient solubility over time. Therefore, the goal of current research was to design ternary amorphous solid dispersions (ASDs) of hydrophobic model drug curcumin (CUR) to enhance the solubility and dissolution rate in turn, presenting enhanced anti-bacterial, antioxidant and anti-inflammatory activity. For this purpose several ternary solid dispersions (TSDs) consisting of Soluplus®, Syloid® XDP 3150, Syloid® 244 and Poloxamer® 188 in combination with HPMC E5 (binary carrier) were prepared using solvent evaporation method. Both solubility and dissolution testing of prepared solid dispersion were performed to determine the increase in solubility and dissolution. Solid state investigation was carried out utilizing infrared spectroscopy, also known as Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM),Differential scanning calorimetry (DSC) and X-ray diffraction (XRD).Optimized formulations were also tested for their biological effectiveness including anti-bacterial, anti-oxidant and anti-inflammatory activity. Amid all Ternary formulations F3 entailing 20 % soluplus® remarkably improved the solubility (186 μg/ml ± 3.95) and consequently dissolution (91 % ± 3.89 %) of curcumin by 3100 and 9 fold respectively. These finding were also supported by FTIR, SEM, XRD and DSC. In-vitro antibacterial investigation of F3 also demonstrated significant improvement in antibacterial activity against both gram positive (Staphylococcus aureus, Bacillus cereus) and gram negative (Pseudomonas aeruginosa, Escherichia coli) bacteria. Among all the tested strains Staphylococcus aureus was found to be most susceptible with a zone of inhibition of 24 mm ± 2.87. Antioxidant activity of F3 was also notably enhanced (93 % ± 5.30) in contrast to CUR (69 % ± 4.79). In vitro anti-inflammatory assessment also exhibited that F3 markedly protected BSA (bovine serum albumin) from denaturation with percent BSA inhibition of 80 % ± 3.16 in comparison to CUR (49 % ± 2.91). Hence, F3 could be an effective solid dispersion system for the delivery of model hydrophobic drug curcumin.

Background: There is increasing emphasis on restoring the efficacy of existing antibiotics instead of developing new ones. Objectives: This study aimed to determine the role of Cremophor EL and Cremophor RH40 in the inhibition of efflux pumps in MDR Pseudomonas aeruginosa strains. Methods: Efflux pump-active MDR strains of P. aeruginosa were identified and confirmed by flow cytometry. The identified efflux-active strains were further subjected to determination of the MIC of ciprofloxacin and the synergistic role of non-ionic surfactants (Cremophor EL and Cremophor RH40) along with ciprofloxacin. Results: Out of 30 samples, 6 strains displayed high efflux pump activity. Both Cremophor EL and Cremophor RH40 showed efflux pump inhibitory roles. A 4-fold reduction in the MIC values of ciprofloxacin was observed when Cremophor EL was used along with ciprofloxacin, while a 6-fold reduction was observed when Cremophor RH40 was used along with ciprofloxacin. Both compounds showed synergistic effects with ciprofloxacin, ticarcillin and meropenem when used in a 24-well plate efflux pump inhibitory assay. Conclusion: The inhibition of the efflux pump of MDR Pseudomonas aeruginosa by non-ionic surfactants, namely, Cremophor RH40 and Cremophor EL, provided the best strategy to restore the efficacy of ciprofloxacin.

Here we report the synthesis of Sm-doped Na0.5Bi4.5Ti4O15 (Na0.5Sm0.5Bi4Ti4O15) lead-free ceramics via a conventional solid-state technique. Investigations of Na0.5Bi4.5Ti4O15 (NBT) and Na0.5Sm0.5Bi4.5Ti4O15 (NSBT) ceramics were demonstrated in detail to understand the composition-based structure-property of Aurivillius compounds and related functional material. Dielectric properties for frequency and temperature in a wide range were analyzed. The conduction activation energy values of NSBT ceramics are obtained to be 1.40 eV, whereas, the NBT ceramics get the value to be 1.31 eV. At higher temperatures, the conduction activation energy value of NSBT ceramics is 1.32 eV for both frequencies of 100 Hz and 1 kHz, whereas, for NBT compounds, the calculated value is 1.27 eV for both frequencies. The simulation performed on the impedance data for capacitive and resistance elements shows well-fitting curves which indicates a single relaxation behavior in the material. Similarly, the AC-conductivity data were analyzed which gives different conduction processes and relaxation activation energies in the NSBT ceramics.

This study aimed to synthesize novel compounds as more effective carbonic anhydrase II inhibitors. For this purpose, 2-(3-methoxy-4-(prop-2-yn-1-yloxy)phenyl)-4,5-diphenyl-1H-imidazole (3) was reacted with 3-methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde through the glyoxal reaction to produce a series of imidazole-based 1,2,3-triazoles 5a-f. The synthesized compounds were structurally confirmed using IR, 1H, and 13C NMR techniques. To evaluate their potential as inhibitors of carbonic anhydrase II enzyme, the synthesized compounds were tested via in vitro enzyme inhibition assay. Among the derivatives, compounds 5f and 5a exhibited the most promising inhibitory potential, with IC50 values of 0.025 ± 0.001 and 0.032 ± 0.003 µM, respectively. Both 5a and 5f derivatives have comparable inhibitory potential but 5f was found to be more potent than 5a: Molecular docking analysis revealed that compounds 5a and 5f displayed excellent binding scores of -8.0 and -8.4 kcal mol-1, respectively. The results were further validated by MD simulations. The RMSD analysis revealed the average values of 3.20 Å for the ligand-protein complex, 1.38 Å for the apoprotein, and 7.15 Å for the ligand molecule. Based on the chemical stability and biological importance, the compound 5f was identified as potential lead candidates for the development of more effective carbonic anhydrase II inhibitors.

The synthesis of 1-(bromomethyl)-3,5-dimethoxybenzene, a crucial intermediate in the formation of various natural products, was carried out through a straightforward three-step procedure starting from 3,5-dihydroxybenzoic acid. The structure of the synthesized derivative was fully characterized using a combination of spectroscopic techniques and single crystal X-ray diffraction. The crystalline sample was found to possess monoclinic symmetry with dimensions a = 8.4054(10) Å, b = 4.4245(6) Å, c = 25.016(3) Å, volume V = 928.9(2) Å3 and Z = 4.0. In order to assess the inhibitory potential of the synthesized crystal, a comprehensive in-silico investigation was conducted which involved molecular docking, density function theory (DFT) analysis, and molecular dynamics (MD) simulation studies. The docking analysis was utilized to determine the binding orientation of the compound with respect to the target proteins, while DFT analysis was utilized to evaluate the molecule’s reactivity profile. The MD simulation approach was used to evaluate the structural rearrangements and chemical interactions that occurred during the simulation period. The results of these studies suggest that the synthesized crystal could potentially serve as a dual inhibitor of RNR and tyrosinase and could be a suitable candidate for the synthesis of noval anti-cancer agent for the treatment of associated malignancies.

Despite the success of antibiotics in medicine, the treatment of bacterial infection is still challenging due to emerging resistance and suitable drug delivery system, therefore, innovative approaches focused on nanoparticles based antimicrobial drug delivery systems are highly desired. This research aimed to synthesize Cymbopogon citratus (C. citratus) aqueous extract-mediated copper oxide (CuO-Nps) conjugated with levofloxacin (LFX). The synthesized CuO NPs-LFX nano conjugate was confirmed by analysis using scanning electron microscopy (SEM), thermal gravimetric analysis (TGA), and infrared and ultraviolet/visible spectroscopy. Antibacterial activities were assessed in vitro through the agar well diffusion method against six bacterial strains of clinical relevance. CuO NPs confirmed by UV–Vis analysis absorption peak observed at 380 nm. TGA analysis showed 8.98% weight loss between the 400–800 °C temperature range. The functional group's presence was confirmed by FTIR analysis. Spherical shape nanoparticles with an average particle size of 55 nm were recorded by FESEM. Results from agar well diffusion assay showed that CuO NPs-LFX prohibited the development of both gram-positive and gram-negative bacteria at all established concentrations, and the antibacterial propensity was more pronounced as compared to bare CuO NPs, Levofloxacin and C. citratus aqueous extract alone. The results showed that gram-negative bacteria are more susceptible to CuO NPs-LFX nano conjugate and at 10 μgmL−1 concentration, form a 10.1 mm zone of inhibition (ZOI), whereas gram-positive bacteria on the same concentration form 9.5 mm ZOI. LFX-loaded CuO NPs antibacterial activity was observed higher than plant extract, bare CuO NPs, and standard drug (Levofloxacin). This study provides a novel approach for the fabrication of biogenic CuO NPs with antibacterial drug levofloxacin and their usage as nano antibiotic carriers against pathogenic bacteria, especially antibiotic-resistant microbes.

Abstract Energetic heterocycles, including pyridines, triazoles, and tetrazoles, exhibit greater density, heats of formation, and oxygen balance compared to their carbocyclic counterparts, making them a promising approach for synthesizing novel bis-tetrazole acetamides. Synthesized compounds A-F, some of which feature a chlorine atom attached to the phenyl ring, serve as valuable synthons for aryl coupling reactions. Analysis via 1H-NMR and 13C-NMR spectroscopy, as well as density functional considerations through B3LYP functional correlation with 6-311 + + G(d) and 6-31G(d) basis set, revealed the observed LUMO/HOMO energies and charge transfer within the molecule. Additionally, the dipole moment, chemical hardness, softness, ionization potential, local reactivity potential via Fukui indices and thermodynamic properties (entropy, enthalpy, and Gibbs free energy) of the molecule were calculated through density functional theory studies. In addition, Molecular Docking studies were conducted to investigate the anti-cancer potential of synthesized heterocyclic compounds against caspase 3, NF-KAPPA-B and P53 protein. Molecular docking analysis demonstrated a potent interaction between 2,2’-(5,5’-(1,4-phenylene)bis(1H-tetrazole-5,1-diyl))bis-N-(2,4-dinitrophenyl) acetamides (6d) and TP53 and NF-KAPPA-B with binding energies of − 11.8 kJ/mol and − 10.9 kJ/mol for TP53 and NF-KAPPA-B, respectively. Similarly, 2,2’-(5,5’–(1,4-phenylene)bis(1H-tetrazole-5,1-diyl))bis-N-(2-chlorophenyl) acetamides (6f) exhibited a strong interaction with caspase-3 with binding energy of -10.0 kJ/mol, indicating their potential as therapeutic agents against these proteins. Furthermore, the findings of current study was further strengthen by 100 ns molecular dynamics (MD) simulations. Finally, theoretical studies of oxygen balance and nitrogen percentage suggest that these molecules can be utilized as energetic materials. Graphical Abstract

Abstract A new compound, C23H20BrN3OS, containing a quinoline-based iminothiazoline with a thiazoline ring, was synthesized and its crystal and molecular structures were analyzed through single crystal X-ray analysis. The compound belongs to the triclinic system P − 1 space group, with dimensions of a = 9.2304 (6) Å, b = 11.1780 (8) Å, c = 11.3006 (6) Å, α = 107.146 (5)°, β = 93.701 (5)°, γ = 110.435 (6)°, Z = 2 and V = 1025.61 (12) Å3. The crystal structure showed that C–H···N and C–H···O hydrogen bond linkages, forming infinite double chains along the b-axis direction, and enclosing R2 2(14) and R2 2(16) ring motifs. The Hirshfeld surface analysis revealed that H…H (44.1%) and H…C/C…H (15.3%) interactions made the most significant contribution. The newly synthesized (Z)-4-bromo-N-(4-butyl-3 (quinolin-3-yl)thiazol-2(3H)-ylidene)benzamide, in comparison to oleanolic acid, exhibited more strong potential against elastase with an inhibition value of 1.21 µM. Additionally, the derivative was evaluated using molecular docking and molecular dynamics simulation studies, which showed that the quinoline based iminothiazoline derivative has the potential to be a novel inhibitor of elastase enzyme. Both theoretical and experimental findings suggested that this compound could have a number of biological activities.

Abstract The maintenance of the beneficial plant microbiome to control plant pathogens is an emerging concept of disease management, and necessitates a clear understanding of these microbial communities and the environmental factors that affect their diversity and compositional structure. As such, studies investigating the microbiome of economically significant cultivars within each growing region are necessary to develop adequate disease management strategies. Here, we assessed the relative impacts of growing season, management strategy, and geographical location on the fungal microbiome of ‘Honeycrisp’ apples from seven different orchard locations in the Atlantic Maritime Ecozone for two consecutive growing years. Though apple fruit tissue was dominated by relatively few fungal genera, significant changes in their fungal communities were observed as a result of environmental factors, including shifts in genera with plant‐associated lifestyles (symbionts and pathogens), such as Aureobasidium, Alternaria, Penicillium, Diplodia, and Mycosphaerella. Variation in fungal composition between different tissues of fruit was also observed. We demonstrate that growing season is the most significant factor affecting fungal community structure and diversity of apple fruit, suggesting that future microbiome studies should take place for multiple growing seasons to better represent the host–microbiome of perennial crops under different environmental conditions.

Globally, the occurrence of skin cancers has been increasing day by day due to unprotected skin and exposure to UV radiation. This research is focused toward the evaluation of the antioxidant potential of an OH-free flavanone derivative that was synthesized by using 1,4-diazabicyclo[2.2.2]octane–polyethylene glycol (DABCO-PEG) 400. Ionic liquid was prepared via the alkylation of DABCO using 1-pentyl bromide followed by mixing with PEG 400. The structure of the synthesized molecules was characterized through single-crystal XRD. The target flavanone, viz., 2-(4-isobutylphenyl)chroman-4-one, was subjected to free radical activity. In addition, in silico studies were carried out with proteins ribonucleotide reductase and tyrosinase and isobutyl containing flavanone, viz., 2-(4-isobutylphenyl)chroman-4-one. The flavanone 2-(4-isobutylphenyl)chroman-4-one showed significant inhibition at a concentration of 25 μg/ml compared to vitamin C, which was also supported by the molecular docking studies. The flavanones exhibit binding energies of −6.45 and −6.83 kcal/mol for ribonucleotide reductase and tyrosinase, respectively. The results were further validated by molecular dynamic simulations, which recommended that further investigation of this flavanone must be carried out before using it in potent drug discovery in the field of skin cancer.

Pure and manganese-doped titanium dioxide nanoparticles (MnTiO2-NPs) were synthesized by the defect-oriented hydrothermal approach. The synthesized material was then characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray spectroscopy (EDX), and UV–visible spectroscopy (UV–Vis). The agar well diffusion method assessed the antibacterial efficiency of TiO2 and MnTiO2-NPs against E. coli and S. aureus. Zone of inhibition (ZOI) formed by pure TiO2 was observed as 12 mm and 11.5 mm against E. coli and S. aureus, while for MnTiO2-NPs it was observed as 19 mm (E. coli) and 21 mm (S. aureus). The concentration of synthesized nanoparticles (10 mg/ml, and 20 mg/ml) was used for antibacterial studies. The efficacy of the pure and MnTiO2-NPs as an active photocatalyst for the degradation of methylene blue (MB) dye was also assessed using a UV light. It was observed that the photodegradation efficiency of 1 g of MnTiO2-NPs was higher than the same amount of pure TiO2. The results suggest that the photocatalyst concentration directly impacts the photodegradation of MB dye. The pH value was found to influence the photodegradation of MB dye at higher pH values. Based on the obtained results, MnTiO2-NPs were observed as a promising agent for microbial resistance and water remediation.

Epiphytic and endophytic micro-organisms associated with plants form complex communities on or in their host plant. These communities influence physiological traits, development, and host susceptibility to abiotic and biotic stresses, and these communities are theorized to have evolved alongside their hosts, forming a unit of selection known as the holobiont. The microbiome is highly variable and can be influenced by abiotic factors, including applied exogenous agents. In this study, we compared the impact of chemical fungicide and salicylic acid treatments on the fungal communities of “Honeycrisp” apples at harvest over two consecutive growing years. We demonstrated variations in fungal community structure and composition by tissue type, growing season, and treatment regimes and that fungicide treatments were associated with reduced network complexity. Finally, we show that the inclusion of salicylic acid with 50% less chemical fungicides in an integrated spray program allowed a reduction in fungicide use while maintaining effective control of disease at harvest and following storage.

BackgroundVaccination has been one of the most effective preventive strategies to contain the COVID-19 pandemic. However, as the COVID-19 vaccines' effect wanes off after some time and given their reduced level of protection against mutation strains of the virus, the calls for boosters and second boosters signal the need for continuous vaccination for the foreseeable future. As Malaysia transitions into the endemic phase, the nation's ability to co-exist with the virus in the endemic phase will hinge on people's continuance intention to be vaccinated against the virus. Adapting the expectations confirmation model (ECM) to the public health context and in a developing country, this study integrates the ECM with the health belief model (HBM) and the theory of reasoned action (TRA) to examine the inter-relationships of the predictors of people's continuance intention to vaccinate against COVID-19.MethodologyData were collected using self-administered questionnaires from 1,914 respondents aged 18 and above by a marketing consulting firm via its online panel. The partial least squares structural equation modeling (PLS-SEM) technique was used to analyze the data.ResultsOut of the 1,914 respondents, 55.9% reported having a continuance intention to vaccinate against COVID-19, similar to other developing countries. The multivariate analysis revealed that perceived usefulness and satisfaction significantly influenced individuals' continuance intention to vaccinate against COVID-19. Additionally, attitude was found to play a key role in influencing behavioral change among individuals towards their perceptions of continuously getting vaccinated against COVID-19.ConclusionsBy integrating three theoretical frameworks (i.e., HBM, TRA and ECM), this study showed that behavioral characteristics could provide insights towards continuance vaccination intention. Hence, policymakers and key stakeholders can develop effective public health strategies or interventions to encourage vaccine booster uptake by targeting behavioral factors such as perceived usefulness, attitude, satisfaction, and subjective norms.

The novel 1-(2,6-dibromo-4-fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thiones molecule has been synthesized through a convenient and simple protocol by the facile reaction of acetone, potassium thiocyanate and 2,6-dibromo-4-fluoroaniline. The structure of synthesized compound has been confirmed by spectroscopic (IR, 1H NMR, 13C NMR,), elemental and single crystal analyses. The x-ray studies exhibited the presence of two six-fold ring planes that are almost perpendicular with a dihedral angle of 89.84(7) °. The crystal studies employing Hirshfeld surface (HS) analysis revealed the presence of large number of H … H, H … Br/Br … H, H … S/S … H, H … F/F … H and H … C/C … H interactions suggesting the major role of van der Waals interactions and hydrogen bonding in the crystal packing. DFT studies were performed using the B3LYP function and 6-31G basis set to optimize the molecular geometry. Both in-vitro enzyme inhibition analysis and in-silico molecular docking studies were conducted to confirm the antidiabetic and anti-Alzheimer’s effects. The enzyme inhibition data demonstrated the potent inhibitory activity against acetylcholinesterase (65.5 ± 2.6 µM), butyryl cholinesterase (125.5 ± 2.0 µM) and α-glucosidase (156.0 ± 5.1 µM), while a lesser effect against α-amylase enzyme. These results were further confirmed by in-silico studies which showed strong binding interactions within the active site of target receptor proteins such as α-amylase, α-glucosidase, acetylcholinesterase and butyryl cholinesterase respectively. These findings highlight the potential of compound 4 as a therapeutic agent for the treatment of diabetes and Alzheimer’s disease.

Electron cyclotron resonance heating method of Particle-in-Cell code was used to analyze heating phenomena, axial kinetic energy, and self-consistent electric field of confined electron plasma in ELTRAP device by hydrogen and helium background gases. The electromagnetic simulations were performed at a constant power of 3.8 V for different RF drives (0.5 GHz- 8 GHz), as well as for 1 GHz constant frequency at these varying amplitudes (1 V-3.8 V). The impacts of axial and radial temperatures were found maximum at 1.8 V and 5 GHz as compared to other amplitudes and frequencies for both background gases. These effects are higher at varying radio frequencies due to more ionization and secondary electrons production and maximum recorded radial temperature for hydrogen background gas was 170.41 eV. The axial kinetic energy impacts were found more effective in the outer radial part (between 0.03 and 0.04 meters) of the ELTRAP device due to applied VRF through C8 electrode. The self-consistent electric field was found higher for helium background gas at 5 GHz RF than other amplitudes and radio frequencies. The excitation and ionization rates were found to be higher along the radial direction (r-axis) than the axial direction (z-axis) in helium background gas as compared to hydrogen background gas. The current studies are advantageous for nuclear physics applications, beam physics, microelectronics, coherent radiation devices and also in magnetrons.

Deposition of hydroxyapatite (HA) or alkaline phosphate crystals on soft tissues causes the pathological calcification diseases comprising of end-stage osteoarthritis (OA), ankylosing spondylitis (AS), medial artery calcification and tumour calcification. The pathological calcification is symbolised by increased concentration of tissue non-specific alkaline phosphatase (TNAP). An efficient therapeutic strategy to eradicate these diseases is required, and for this the alkaline phosphatase inhibitors can play a potential role. In this context a series of novel quinolinyl iminothiazolines was synthesised and evaluated for alkaline phosphatase inhibition potential. All the compounds were subjected to DFT studies where N-benzamide quinolinyl iminothiazoline (6g), N-dichlorobenzamide quinolinyl iminothiazoline (6i) and N-nitrobenzamide quinolinyl iminothiazoline (6j) were found as the most reactive compounds. Then during the in-vitro testing, the compound N-benzamide quinolinyl iminothiazoline (6g) exhibited the maximum alkaline phosphatase inhibitory effect (IC50 = 0.337 ± 0.015 µM) as compared to other analogues and standard KH2PO4 (IC50 = 5.245 ± 0.477 µM). The results were supported by the molecular docking studies, molecular dynamics simulations and kinetic analysis which also revealed the inhibitory potential of compound N-benzamide quinolinyl iminothiazoline (6g) against alkaline phosphatase. This compound can be act as lead molecule for the synthesis of more effective inhibitors and can be suggested to test at the molecular level.

The objective of this study was to determine the effects of TiO2, Ag-TiO2, and Cu-TiO2 nanoparticles (NPs) addition on the mechanical and antibacterial properties of resin-based sealants. TiO2, Ag-TiO2, and Cu-TiO2 NPs were characterized with FTIR, Raman, SEM-EDX, TEM, XPS, and XRD, and evaluated for cytotoxicity study. After characterization, the nanoparticles were mixed with commercial pit and fissure sealants (PAFS) in ratios of 1 and 2%. A total of 7 groups were made, control group (PAFS only) and experimental groups (1%-2% TiO2, 1%-2% Ag-TiO2, and 1%-2% Cu-TiO2). ISO standards were adopted to prepare samples for mechanical properties, i.e., compressive strength (CS), flexural strength (FS), and Vickers hardness evaluation. Samples were tested against Streptococcus mutans through an agar well diffusion test. The CS, FS, and Vickers hardness were increased for the Cu-TiO2 group with respect to Ag-TiO2 but values were less compared to TiO2 groups. The highest flow rate was measured in the control group which was 8.16±0.06 mm and 9.17±0.1 mm after 3 and 10 mins respectively. In the agar well diffusion test, the control group showed no zone of inhibition, and the lowest zone of bacterial inhibition was found in PAFS with 1% TiO2 NPs group (13.3 ± 1.5 mm) while the highest was found in PAFS with 2% Ag-TiO2 NPs (21.8 ± 1.7 mm). Cu-doped TiO2 NPs showed more biocompatibility as compared to Ag-doped TiO2. The outcomes were statistically significant for all the mechanical tests and agar well diffusion antibacterial test as the p-value ≤0.05 while for the cytotoxicity test, the p-value >0.05. The TiO2 addition generally improved both the mechanical and antibacterial properties of pit and fissure sealant.

A hydrothermal technique was employed to synthesize Ni/Mg/Al ternary L.D.H.s modified with montmorillonite (NMA-MMT-LDHs). Many characterization methods, including X-ray diffraction (XRD), scanning electron microscopy (S.E.M.), Fourier transform infrared (FTIR), and Brunauer, Emmett, and Teller (B.E.T.), were used to assess the physiochemical properties of the produced analytes. Congo red and methylene blue were utilized as model dyes to treat textile waste with the synthesized analytes. The batch adsorption model was utilized to conduct the adsorption experiments under varying contact time, adsorbent dosage, and solution pH conditions. A pseudo-second-order kinetics and the Langmuir adsorption model control the adsorption process. The maximum monolayer adsorption capacities of C.R. and M.B. were determined to be 344 and 200 mg/g, respectively. As the quantity of dosage increased from the 0.01–0.04 g, the percent removal efficiency (%) increased from 75 to 87 % for S2-LDH, 84–88 % for S2-MMT, 86–93 % for S3-MMT, and 95–97% for S4-MMT for C.R. dye and 82–85 % for S2-LDH, 83–89 % for S2-MMT, 83–91 % for S3-MMT, and 84–92 % for S4-MMT for M.B. dye. The removal percentage of C.R. dye for adsorbents S2-LDH, S2-MMT, S3-MMT, and S4-MMT were 75 %, 84 %, 86 %, and 95 %, respectively and 82 %, 83 %, 83 %, and 85 %, respectively for the M.B. dye removal. The presence of MMT significantly increases the affinity of Ni/Mg/Al-LDHs (NMA-LDHs), and the designed production technique can be used to produce a variety of compositionally distinct adsorbent materials.

BCS class II drugs exhibit low aqueous solubility and high permeability. Such drugs often have an incomplete or erratic absorption profile. This study aimed to predict the effects of β-cyclodextrin (βCD) and different hydrophilic polymers (poloxamer 188 (PXM-188), polyvinyl pyrrolidone (PVP) and soluplus (SOLO)) on the saturated solubility and dissolution profile of hydrophobic model drug rivaroxaban (RIV). Binary inclusion complex with βCD were prepared by kneading and solvent evaporation method, at drug to cyclodextrin weight molar ratios of 1:1, 1:2, and 1:4. Saturated solubility of the hydrophobic model moiety was evaluated with βCD to explore the increment in saturated solubility. Dissolution test was carried out to assess the drug release from the produced binary inclusion complex in the aqueous medium. Solid state analysis was performed using Fourier transform infrared spectroscopy (FTIR), Differential scanning calorimetry (DSC), X-ray diffraction (XRD), and Scanning electron microscopy (SEM) techniques. When compared to pure drug, the binary complex (Drug: βCD at molar ratio of 1:2 w/w) demonstrated the best performance in terms of enhanced solubility and drug release. Furthermore, ternary inclusion complex was prepared with hydrophilic polymers SOLO, PVP K-30 and PXM-188 at 0.5%,1%,2.5%,5% and 10% w/w to optimized binary formulation RIV:βCD (1:2) prepared by kneading (KN) and solvent evaporation (S.E) method. The findings demonstrated that among ternary formulations (1:2 Drug: βCD: SOLO 10% S.E) manifested greatest improvement in saturated solubility and dissolution rate. Results of solubility enhancement and improvement in dissolution profile of model drug by ternary inclusion complexation were also supported by FTIR, DSC, XRD, and SEM analysis. So, it can be concluded that the ternary inclusion systems were more effective compared to the binary combinations in improving solubility as well as dissolution of hydrophobic model drug rivaroxaban.

Academic writing is a salient skill for medical students all over the world. Academic writing starts with composing effective paragraphs, laying the foundation for students' advancement in writing during college. This study investigated common mistakes in English paragraph writing committed by the first-year medical students of the Medicine Faculty at Kabul University of Medical Sciences. Additionally, it measured the challenges that Medicine Faculty students tackled in paragraph writing. This quantitative study was conducted through an action research design. The data were collected from 52 medical students, and their work was analyzed using the developed rubrics. The data were analyzed in the SPPS 26 version, and the descriptive statistics were reported. The findings revealed that participants obtained the highest means in the mechanics of paragraph writing (22 out of 25), and they received the lowest means (12 out of 25) in the contents of a paragraph. In English for Medical Purposes (EMP), students should improve their content finding, paragraphing, summarizing, and referencing skills for their assignments and research writings. Medical students should give detailed attention to every characteristic of academic paragraph writing because they give readers a full grasp of the contents of their written works.

The CMSWEB cluster is pivotal to the activities of the Compact Muon Solenoid (CMS) experiment, as it hosts critical services required for the operational needs of the CMS experiment. The security of these services and the corresponding data is crucial to CMS. Any malicious attack can compromise the availability of our services. Therefore, it is important to construct a robust security infrastructure. In this work, we discuss new security features introduced to the CMSWEB Kubernetes (“k8s”) cluster. The new features include the implementation of network policies, deployment of Open Policy Agent (OPA), enforcement of OPA policies, and the integration of Vault. The network policies act as an inside-the-cluster firewall to limit the network communication between the pods to the minimum necessary, and its dynamic nature allows us to work with microservices. The OPA validates the objects against some custom-defined policies during create, update, and delete operations to further enhance security. Without recompiling or changing the configuration of the Kubernetes API server, it can apply customized policies on Kubernetes objects and their audit functionality enabling us to detect pre-existing conflicts and issues. Although Kubernetes incorporates the concepts of secrets, they are only base64 encoded and are not dynamically configured. This is where Vault comes into play: Vault dynamically secures, stores, and tightly controls access to sensitive data. This way, the secret information is encrypted, secured, and centralized, making it more scalable and easier to manage. Thus, the implementation of these three security features corroborate the enhanced security and reliability of the CMSWEB Kubernetes infrastructure.

The infamous malfeasance of corporate giants and the collapse of a financial system with global reverberations have further pressured the need for greater ethical discipline and consideration in business and finance. This study explored the motivations within firms as driven by their performance measurement systems (P.M.). Then, the study developed a newly proposed P.M.S. with greater ethical emphasis based on Islamic principles to be a foundation for augmented Sharia-compliant screening criteria for Islamic equities. Discourse analysis of the Islamic religious texts was used, followed by validation through interviews with scholars and practitioners. Results indicate that improving the current Sharia screening criteria is possible by expanding the qualitative and quantitative assessments to include indicators that consider shareholders, the board of directors and top management, business dealings and products, employee relations, community issues and environmental protection. This study has implications for regulators such as Accounting and Auditing Organization for Islamic Financial Institutions (AAOIFI), Islamic Financial Services Board (IFSB) and Sharia-compliant screening criteria users such as the Dow Jones Islamic Market (DJIM), Financial Times Stock Exchange (FTSE) and Standard and Poor's (S&P) that may consider expanding their current equity screening criteria which mainly depends on the issuer's business activity and narrow quantitative measures. This version: June 28, 2022.

Fungal pathogens pose a major threat to food production worldwide. Traditionally, chemical fungicides have been the primary means of controlling these pathogens, but many of these fungicides have recently come under increased scrutiny due to their negative effects on the health of humans, animals, and the environment. Furthermore, the use of chemical fungicides can result in the development of resistance in populations of phytopathogenic fungi. Therefore, new environmentally friendly alternatives that provide adequate levels of disease control are needed to replace chemical fungicides—if not completely, then at least partially. A number of alternatives to conventional chemical fungicides have been developed, including plant defence elicitors (PDEs); biological control agents (fungi, bacteria, and mycoviruses), either alone or as consortia; biochemical fungicides; natural products; RNA interference (RNAi) methods; and resistance breeding. This article reviews the conventional and alternative methods available to manage fungal pathogens, discusses their strengths and weaknesses, and identifies potential areas for future research.

Curcumin’s applications in the treatment of conditions including osteoarthritis, dementia, malignancies of the pancreas, and malignancies of the intestines have drawn increasing attention. It has several wonderful qualities, including being an anti-inflammatory agent, an anti-mutagenic agent, and an antioxidant, and has substantially reduced inherent cytotoxicity outcomes. Although curcumin possesses multiple known curative properties, due to its limited bioavailability, it is necessary to develop efficient strategies to overcome these hurdles. To establish an effective administration method, various niosomal formulations were optimized using the Box–Behnken design and assessed in the current investigation. To examine the curcumin niosomes, zeta sizer, zeta potential, entrapment efficiency, SEM, antioxidant potential, cytotoxicity, and release studies were performed. The optimized curcumin niosomes exhibited an average particle size of 169.4 nm, a low PDI of 0.189, and high entrapment efficiency of 85.4%. The release profile showed 79.39% curcumin after 24 h and had significantly higher antioxidant potential as compared with that of free curcumin. The cytotoxicity results of curcumin niosomes presented increased mortality in human ovarian cancer A2780.

Abstract Acrylic resins-based artificial teeth are frequently used for the fabrication of dentures has and contribute a very strong share in the global market. However, the scientific literature reporting the comparative analysis data of various artificial teeth is scarce. Focusing on that, the present study investigated various types of commercially available artificial teeth, composed of polymethyl methacrylate (PMMA). Artificial teeth are characterized for chemical analysis, morphological features, thermal analysis, and mechanical properties (surface hardness, compressive strength). Different types of artificial teeth showed distinct mechanical (compression strength, Vickers hardness) and thermal properties (thermal gravimetric analysis) which may be attributed to the difference in the content of PMMA and type and quantity of different fillers in their composition. Thermogravimetric analysis (TGA) results exhibited that vinyl end groups of PMMA degraded above 200 °C, whereas 340–400 °C maximum degradation temperature was measured by differential thermal analysis (DTA) for all samples. Crisma brand showed the highest compressive strength and young modulus (88.6 MPa and 1654 MPa) while the lowest value of Vickers hardness was demonstrated by Pigeon and Vital brands. Scanning electron microscope (SEM) photographs showed that Crisma, Pigeon, and Vital exhibited characteristics of a brittle fracture; however, Artis and Well bite brands contained elongated voids on their surfaces. According to the mechanical analysis and SEM data, Well bite teeth showed a significantly higher mechanical strength compared to other groups. However, no considerable difference was observed in Vickers hardness of all groups. Graphical abstract

In this study, zinc-oxide (ZnO) nanoparticles (NPs) doped with cobalt (Co) were synthesized using a simple coprecipitation technique. The concentration of Co was varied to investigate its effect on the structural, morphological, optical, and dielectric properties of the NPs. X-ray diffraction (XRD) analysis confirmed the hexagonal wurtzite structure of both undoped and Co-doped ZnO-NPs. Scanning electron microscopy (SEM) was used to examine the morphology of the synthesized NPs, while energy-dispersive X-ray spectroscopy (EDX) was used to verify their purity. The band gap of the NPs was evaluated using UV-visible spectroscopy, which revealed a decrease in the energy gap as the concentration of Co2+ increased in the ZnO matrix. The dielectric constants and AC conductivity of the NPs were measured using an LCR meter. The dielectric constant of the Co-doped ZnO-NPs continuously increased from 4.0 × 10-9 to 2.25 × 10-8, while the dielectric loss decreased from 4.0 × 10-8 to 1.7 × 10-7 as the Co content increased from 0.01 to 0.07%. The a.c. conductivity also increased with increasing applied frequency. The findings suggest that the synthesized Co-doped ZnO-NPs possess enhanced dielectric properties and reduced energy gap, making them promising candidates for low-frequency devices such as UV photodetectors, optoelectronics, and spintronics applications. The use of a cost-effective and scalable synthesis method, coupled with detailed material characterization, makes this work significant in the field of nanomaterials and device engineering.

The nanostructures synthesized using the green chemistry method have recently attracted the attention of scientists due to their significance in many scientific domains. This work provides an overview of the biosynthesis of zinc oxide (ZnO) nanosheets (NSs) using Phyllanthus emblica plant (PEP) extract. X-ray diffraction analysis (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and Fourier transform infrared (FTIR) were used to analyze the synthesized ZnO-NSs. Evaluation of the antibacterial activity of biosynthesized ZnO-NSs was performed. ZnO-NSs exhibit effective antibacterial activity against Gram-positive (S. pyogenes and S. aureus) and Gram-negative (S. typhi and E. coli) bacterial strains. S. typhi is the most sensitive microbe towards ZnO-NSs and formed a 21 mm zone of inhibition (ZOI). ZnO-NSs are also tested as a photocatalyst in the degradation of methyl orange (MO) and rhodamine B (RB). The degradation rate of MO was 90%, and RB was 96% after being exposed to UV light for 120 min. The as-synthesized ZnO-NSs exhibited selective dye degradation and showed relatively better photocatalytic activity for positively charged (cationic) dyes. This work could lead to the fabrication of high-yield photocatalysts, which have the potential to degrade textile dyes from aqueous solution.

Structural, electronic, and optical properties of a new combined system of carbon and boron nitride nanotubes are studied using the DFT first principles as implemented in Quantum ESPRESSO codes. The corrections to the quasi-particle energies were studied via GW hybrid functional implemented in the YAMBO code within the many-body perturbation theory. The studies were performed under different interwall distances of 3.0 nm, 2.5 nm, and 1.5 nm between CNTs and BNNTs. The results showed that the structural properties demonstrated high stability of the double-walled carbon boron nitride nanotube (DWCBNNT) systems under interwall distance (IWD) of 3.00 nm, 2.50 nm, and 1.50 nm. Results also demonstrated an inverse variation between the IWD and the diameter of the DWCBNNT system. In terms of the electronic properties, all three configurations of the DWCBNNTs reveal semiconducting behavior under KS-DFT showing a direct band gap of 3.30 eV, 1.79 eV, and 0.81 eV under IWD of 3.0 nm, 2.5 nm, and 1.5 nm, respectively. Furthermore, the band gap of the DWCBNNT increases with an increase in IWD (decrease in inner tube diameter) and decreases with a decrease in IWD (increase in inner tube diameter). In all three cases, the bands are formed by the molecular orbitals of the armchair CBNNT which are transformed to a series of continuous energy levels; the behaviors of electrons that formed the heterostructure are related to the behavior of electrons in B, C, and N atoms. From the optical properties perspective, the studies were conducted in parallel and perpendicular directions to the nanotubes’ axes. The presence of static dielectric functions in parallel direction at 3.3, 3.4, and 4.5 for nanotubes under 3.0 nm, 2.5 nm, and 1.5 nm demonstrated optical refraction. Refractions were also observed in directions perpendicular to the nanotubes. Furthermore, optical reflections occur when there is a higher absorption. The ability of these CBNNT hybrid systems to refract in all directions revealed the most exciting properties of the armchair CBNNT suitable to be used in magnifying glass materials. The findings further imply that the optical absorption coefficient is inversely related to the diameter of the nanotubes and is directly correlated to the band gap.

BackgroundSporadic outbreaks of COVID-19 remain a threat to public healthcare, especially if vaccination levels do not improve. As Malaysia begins its transition into the endemic phase, it is essential to identify the key determinants of COVID-19 vaccination intention amongst the pockets of the population who are still hesitant. Therefore, focusing on a sample of individuals who did not register for the COVID-19 vaccination, the current study integrated two widely used frameworks in the public health domain-the health belief model (HBM) and the theory of reasoned action (TRA)-to examine the inter-relationships of the predictors of vaccination intention amongst these individuals.MethodologyPrimary data from 117 respondents who did not register for the COVID-19 vaccination were collected using self-administered questionnaires to capture predictors of vaccination intention amongst individuals in a Malaysian context. The partial least squares structural equation modeling (PLS-SEM) technique was used to analyze the data.ResultsSubjective norms and attitude play key mediating roles between the HBM factors and vaccination intention amongst the unregistered respondents. In particular, subjective norms mediate the relationship between cues to action and vaccination intention, highlighting the significance of important others to influence unregistered individuals who are already exposed to information from mass media and interpersonal discussions regarding vaccines. Trust, perceived susceptibility, and perceived benefits indirectly influence vaccination intention through attitude, indicating that one's attitude is vital in promoting behavioral change.ConclusionThis study showed that the behavioral factors could help understand the reasons for vaccine refusal or acceptance, and shape and improve health interventions, particularly among the vaccine-hesitant group in a developing country. Therefore, policymakers and key stakeholders can develop effective strategies or interventions to encourage vaccination amongst the unvaccinated for future health pandemics by targeting subjective norms and attitude.

The crystal structure of N-((4-acetylphenyl)carbamothioyl)pivalamide (3) was synthesized by inert refluxing pivaloyl isothiocyanate (2) and 4-aminoacetophenone in dry acetone. The spectroscopic characterization (1H-NMR, 13CNMR, FT-IR) and single crystal assays determined the structure of synthesized compound (3). Systematic experimental and theoretical studies were conducted to determine the molecular characteristics of the synthesized crystal. The biological examination of (3) was conducted against a variety of enzymes i.e., acetyl cholinesterase (AChE), butyl cholinesterase (BChE), alpha amylase, and urease enzyme were evaluated. The crystal exhibited approximately 85% enzyme inhibition activity against BChE and AChE, but only 73.8 % and 57.9% inhibition activity against urease and alpha amylase was observed respectively. The theoretical calculations were conducted using density functional theory studies (DFTs) with the 6–31G (d, p) basis set and B3LYP functional correlation. The Frontier molecular orbital analysis revealed that the HOMO/LUMO energy gap was smaller, which corresponds to the molecule’s reactivity. In terms of reactivity, the chemical softness value was found to be in good agreement with experimental values. In Crystal structure analysis, the intramolecular N—H•••O hydrogen bond generates a S 6) ring motif and N—H•••O interactions exist in crystal structure between the centroids of neighboring parallel aromatic (C4-C9) rings with a centroid to centroid distance of 3.9766 (7)Å. These intermolecular interactions were useful in structural stabilization. The Hirshfeld surfaces and their related two-dimensional fingerprint plots were used for thorough investigation of intermolecular interactions. According to Hirshfeld surface analysis of the crystal structure the most substantial contributions to the crystal packing are from H ••• O and H ••• N/N ••• H interactions. Molecular docking studies were conducted to evaluate the binding orientation of synthesized crystal with multiple targets. The compound exhibited stronger interactions with AChE and BChE with binding energies of -7.5 and -7.6 kcal/mol, respectively. On the basis of in-vitro and in-silico findings, it is deduced that N-((4-acetylphenyl)carbamothioyl)pivalamide 3) possesses reactive and potent multiple target inhibitory properties.

Depression is the major mental illness which causes along with loss of interest in daily life, a feeling of hopelessness, appetite or weight changes, anger and irritability. Due to the hepatic first-pass metabolism, the absolute bioavailability of fluvoxamine (FVM) after oral administration is about 50%. By avoiding the pre-systemic metabolism, nasal delivery would boost bioavailability of FVM. Additionally, the absorption is anticipated to occur more quickly than it would via the oral route because of the existence of microvilli and high vasculature. A nonionic surfactant, cholesterol and an arachidonic acid-carboxymethyl chitosan (AA-CMCS) conjugate were used to develop FVM-loaded novasomes. To investigate the effects of surfactant concentration, AA-CMCS conjugate concentration and stirring speed on the novasomes’ characteristics, a Box–Behnken design was used. The dependent variables chosen were zeta potential, polydispersity index and particle size. The AA-CMCS conjugate was confirmed by 1H-NMR and FTIR. Using Design Expert software (version 7; Stat-Ease Inc., Minneapolis, MN, USA), novasomes were further optimized. The chosen optimal formulation (NAC8) was made up of AA-CMCS conjugate, Span 60 and cholesterol. Particle size, zeta potential and PDI values for NAC8 formulation were 101 nm, −35 mV and 0.263, respectively. The NAC8 formulation’s DSC and TGA analysis demonstrated that the medication had been uniformly and amorphously distributed throughout the novasomes. The NAC8 formulation showed 99% and 90% FVM release and permeation, respectively, and the novasome adherence time was 24 h. An improved antidepressant effect along with five-fold increase in bioavailability of FVM was observed after trans-nasal administration of NAC8 formulation compared to the reference commercially available Flumin® tablets. FVM-loaded novasomes administered via the nasal route may therefore constitute an advancement in the management of depression.

A basic urea technique was successfully used to synthesize Mg/Al-Layered double hydroxides (Mg/Al LDHs), which were then calcined at 400 °C to form Mg/Al-Layered double oxides (Mg/Al LDOs). To reconstruct LDHs, Mg/Al LDOs were fabricated with different feeding ratios of Ni by the co-precipitation method. After synthesis, the Ni/Mg/Al-layered double hydroxides (NMA-LDHs) with 20% and 30% Ni (S1 and S2) were roasted at 400 °C and transformed into corresponding Ni/Mg/Al-layered double oxides (NMA-LDOs) (S1a and S2b, respectively). The physiochemical properties of synthesized samples were also evaluated by various characterization techniques, such as X-ray diffraction (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray spectroscopy (EDS), Fourier transform infrared (FTIR), and Brunauer, Emmett, and Teller (BET). The adsorption behavior of methyl orange (MO) onto the synthesized samples was evaluated in batch adsorption mode under varying conditions of contact time, adsorbent quantity, and solution pH. As the dosage amount increased from 0.01–0.04 g, the removal percentage of MO dye also increased from 83% to 90% for S1, 84% to 92% for S1a, 77% to 87% for S2, and 93% to 98% for S2b, respectively. For all of the samples, the adsorption kinetics were well described by the pseudo-second-order kinetic model. The equilibrium adsorption data were well fitted to both Langmuir and Freundlich models for methyl orange (MO). Finally, three adsorption-desorption cycles show that NMA-LDHs and NMA-LDOs have greater adsorption and reusability performance for MO dye, signifying that the design and fabrication strategy can facilitate the application of the natural hydrotalcite material in water remediation.

Various N- and S-containing 5-membered heterocycles such as imidazole-2-thiones, thiazolidinones and thiazolidin-2-imines are among the most eminent biologically active organic heterocycles and are present in many marketed drugs. In view of their synthetic and biological significance, an efficient synthesis of two novel thiazolidine-2-imines (4a-b) utilizing a three-component one-pot approach starting from an aldimine, an alkyne and isothiocyanates has been developed. The reaction proceeded via a 5-exo digonal (5-exo dig) cyclization of a propargyl thiourea, formed in situ in the presence of Zn(II)-catalyst. The structures of the resulting products are elucidated by spectroscopic methods and X-ray crystallography. A DFT study explored the structural, thermodynamic and molecular electrostatic potential parameters for the compounds. The newly synthesized compounds (4a & 4b) were evaluated for the inhibition of tyrosinase both in vitro and in silico. The in vitro results revealed that the synthesized thiazolidine-2-imines (4a-b) showed good inhibition activity towards mushroom tyrosinase (IC50 = 1.151 ± 1.25 and 2.079 ± 0.87 μM respectively) in comparison to the kojic acid standard (IC50 = 16.031 ± 1.27 μM) a commonly used anti-pigment agent in plant and animal tissues. The experimental inhibition was further assessed by molecular docking studies between synthesized ligands and the human tyrosinase protein complex to investigate the intermolecular interactions responsible for tyrosinase inhibition activity.

The use of Phyllanthus emblica (gooseberry) leaf extract to synthesize Boron-doped zinc oxide nanosheets (B-doped ZnO-NSs) is deliberated in this article. Scanning electron microscopy (SEM) shows a network of synthesized nanosheets randomly aligned side by side in a B-doped ZnO (15 wt% B) sample. The thickness of B-doped ZnO-NSs is in the range of 20–80 nm. B-doped ZnO-NSs were tested against both gram-positive and gram-negative bacterial strains including Staphylococcus aureus, Pseudomonas aeruginosa, Klebsiella pneumonia, and Escherichia coli. Against gram-negative bacterium (K. pneumonia and E. coli), B-doped ZnO displays enhanced antibacterial activity with 26 and 24 mm of inhibition zone, respectively. The mass attenuation coefficient (MAC), linear attenuation coefficient (LAC), mean free path (MFP), half-value layer (HVL), and tenth value layer (TVL) of B-doped ZnO were investigated as aspects linked to radiation shielding. These observations were carried out by using a PTW® electron detector and VARIAN® irradiation with 6 MeV electrons. The results of these experiments can be used to learn more about the radiation shielding properties of B-doped ZnO nanostructures.

In this work, we report the preparation of TiO2 and Co-S doped TiO2 nanostructures by sol–gel and wet impregnation method for their potential applications in photocatalytic processes for environmental applications in water purification to degrade pollutant dyes. The crystalline phase, morphology, optical properties, and chemical composition of the synthesized nanoparticles (NPs) are studied by using X-ray diffraction (XRD), Scanning electron microscopy (SEM), Transmission electron microscopy (TEM), UV–Visible spectroscopy, and Fourier transform infrared spectroscopy (FTIR). The photocatalytic accomplishment of synthesized nanostructures is observed for the degradation of brilliant green (BG). All the synthesized nanostructures exhibited excellent photodegradation activity. The observed rate of degradation of dye is higher with the Co-S doped TiO2 nanostructures than pure TiO2.

The recent research was performed to investigate the toxicity of As and Cd in suburban area of Sargodha, Punjab, Pakistan. Water, soil and forage samples were collected for this purpose in summer and winter season and analysis was done via wet digestion to determine the concentration of selected heavy metals. The mean concentration of As and Cd in water was found above the permissible maximum limit. Mean concentration of Cd in soil and forages was lower than the allowed limit whereas As which was higher than the PML in forages. So, continuous use of domestic wastewater for irrigation purpose should be avoided in order to secure the area from any hazard in near future.

Bis-acyl-thiourea derivatives, namely N,N’-(((4-nitro-1,2-phenylene)bis(azanediyl)) bis(carbonothioyl))bis(2,4-dichlorobenzamide) (UP-1), N,N’-(((4-nitro-1,2-phenylene) bis(azanediyl))bis(carbonothioyl))diheptanamide (UP-2), and N,N’-(((4-nitro-1,2-phenylene)bis(azanediyl))bis(carbonothioyl))dibutannamide (UP-3), were synthesized in two steps. The structural characterization of the derivatives was carried out by FTIR, 1H-NMR, and 13C-NMR, and then their DNA binding, anti-urease, and anticancer activities were explored. Both theoretical and experimental results, as obtained by density functional theory, molecular docking, UV-visible spectroscopy, fluorescence (Flu-)spectroscopy, cyclic voltammetry (CV), and viscometry, pointed towards compounds’ interactions with DNA. However, the values of binding constant (Kb), binding site size (n), and negative Gibbs free energy change (ΔG) (as evaluated by docking, UV-vis, Flu-, and CV) indicated that all the derivatives exhibited binding interactions with the DNA in the order UP-3 > UP-2 > UP-1. The experimental findings from spectral and electrochemical analysis complemented each other and supported the theoretical analysis. The lower diffusion coefficient (Do) values, as obtained from CV responses of each compound after DNA addition at various scan rates, further confirmed the formation of a bulky compound–DNA complex that caused slow diffusion. The mixed binding mode of interaction as seen in docking was further verified by changes in DNA viscosity with varying compound concentrations. All compounds showed strong anti-urease activity, whereas UP-1 was found to have comparatively better inhibitory efficiency, with an IC50 value of 1.55 ± 0.0288 µM. The dose-dependent cytotoxicity of the synthesized derivatives against glioblastoma MG-U87 cells (a human brain cancer cell line) followed by HEK-293 cells (a normal human embryonic kidney cell line) indicated that UP-1 and UP-3 have greater cytotoxicity against both cancerous and healthy cell lines at 400 µM. However, dose-dependent responses of UP-2 showed cytotoxicity against cancerous cells, while it showed no cytotoxicity on the healthy cell line at a low concentration range of 40–120 µM.

Renewable energy can be harnessed from wastewater, whether from municipalities or industries, but this potential is often ignored. The world generates over 900 km3 of wastewater annually, which is typically treated through energy-consuming processes, despite its potential for energy production. Environmental pollution is a most important and serious issue for all and their adulterations to the aquatic system are very toxic in very low concentrations. Photocatalysis is a prominent approach to eliminating risky elements from the environment. The present study developed Zinc oxide (ZnO), Copper-doped Zinc oxide (CuZnO), and Cobalt-doped Zinc oxide (CoZnO) nanostructures (NSs) by facile hydrothermal route. The crystalline and structural stability of the synthesized nanostructures were evident from XRD and FESEM analysis. Metal, and oxygen bond and their interaction on the surfaces and their valency were explored from XPS spectra. Optical orientations and electron movements were revealed from UV-Visible analysis. After 100 min exposure time with 1 g of catalyst concentration 60%, 70%, and 89% of dye degraded, for dye concentration (5 mg/L to 50 mg/L), the huge variation observed (70% to 22%), (80% to 16%), (94% to 10%). The highest photodegradation rate (55%, 75%, 90%) was observed on pH~12 using ZnO, CoZnO, and CuZnO respectively. Photodegradation of methylene blue confirmed the largest surface area, rate of recombination, photo-excited charge carriers, photo-sensitivity range, and radical generations of ZnO, CuZnO, and CoZnO. The present study, therefore, suggested that CuZnO would be preferred to produce nanomaterials for industrial wastewater treatment like methylene.

Abstract Climate change and other global change drivers threaten plant diversity in mountains worldwide. A widely documented response to such environmental modifications is for plant species to change their elevational ranges. Range shifts are often idiosyncratic and difficult to generalize, partly due to variation in sampling methods. There is thus a need for a standardized monitoring strategy that can be applied across mountain regions to assess distribution changes and community turnover of native and non‐native plant species over space and time. Here, we present a conceptually intuitive and standardized protocol developed by the Mountain Invasion Research Network (MIREN) to systematically quantify global patterns of native and non‐native species distributions along elevation gradients and shifts arising from interactive effects of climate change and human disturbance. Usually repeated every five years, surveys consist of 20 sample sites located at equal elevation increments along three replicate roads per sampling region. At each site, three plots extend from the side of a mountain road into surrounding natural vegetation. The protocol has been successfully used in 18 regions worldwide from 2007 to present. Analyses of one point in time already generated some salient results, and revealed region‐specific elevational patterns of native plant species richness, but a globally consistent elevational decline in non‐native species richness. Non‐native plants were also more abundant directly adjacent to road edges, suggesting that disturbed roadsides serve as a vector for invasions into mountains. From the upcoming analyses of time series, even more exciting results can be expected, especially about range shifts. Implementing the protocol in more mountain regions globally would help to generate a more complete picture of how global change alters species distributions. This would inform conservation policy in mountain ecosystems, where some conservation policies remain poorly implemented.

Environmental problems with chemical and biological water pollution have become a major concern for society. Providing people with safe and affordable water is a grand challenge of the 21st century. The study investigates the photocatalytic degradation capabilities of hydrothermally prepared pure and Cu-doped ZnO nanoparticles (NPs) for the elimination of dye pollutants. A simple, cost-effective hydrothermal process is employed to synthesize the Cu-doped ZnO NPs. The photocatalytic dye degradation activity of the synthesized Cu-doped ZnO NPs is tested by using methylene blue (MB) dye. In addition, the parameters that affect photodegradation efficiency, such as catalyst concentration, starting potential of hydrogen (pH), and dye concentration, were also assessed. The dye degradation is found to be directly proportional to the irradiation time, as 94% of the MB dye is degraded in 2 hrs. Similarly, the dye degradation shows an inverse relation to the MB dye concentration, as the degradation reduced from 94% to 20% when the MB concentration increases from 5 ppm to 80 ppm. The synthesized cost-effective and environmentally friendly Cu-doped ZnO NPs exhibit improved photocatalytic activity against MB dye and can therefore be employed in wastewater treatment materials.

Weeds, unwanted plants, are responsible for significant yield and economic loss in agroecosystems and pose a serious threat to the ecology and efficiency of these ecosystems. Despite these losses, not much is known about the weeds associated with crops grown in Kashmir Himalaya. Here, we present a complete inventory of weeds associated with rabi crops, such as mustard (Brassica campestris), wheat (Triticum aestivum), flax (Linum usitatissimum), oats (Avena sativa), kharif crop, such as paddy (Oryza sativa), as well as apple and other fruit tree orchards. A total of 198 weeds were recorded belonging to 47 families. Poaceae (27 species) and Asteraceae (23 species) included the highest number of species. Most of these weeds were non-native (136 species) and only 62 species were native. Fifty one non-native species were invasive. Most of the weeds were herbs (195 species). Annuals and perennials were almost equally represented with 93 and 92 species, respectively. The number of weeds varied across the surveyed crops with the highest number of species (104) recorded in orchards and the lowest number of 25 species in flax fields. These observations are important for the better management of weeds in the agroecosystems of Kashmir Himalaya.

In this study, successful synthesis of ZnO nanoparticles (NPs), CuO NPs, and ZnO/CuO nanocomposite through an eco-friendly method using Corriandrum sativum leaf extract as a capping agent is reported. Using XRD, FTIR, UV-Vis, and SEM techniques, the synthesized materials were characterized for structural analysis, functional groups identification, spectroscopic measurements, and morphological analysis. The percentage composition and purity of the samples were determined by using Energy Dispersive X-ray (EDX), which showed the synthesis of materials. Morphological analysis was done by Scanning Electron Microscopy (SEM) which reflected that the CuO NPs, ZnO NPs and ZnO/CuO nanocomposite were spherical, and the average size calculated by using Image J software was around 25 nm, 55 nm, and 11 nm, respectively. FTIR and UV-Vis analyses were used for synthetic confirmation through characteristic peaks of materials. The synthesized (ZnO, CuO, and CuO/ZnO) nanomaterials were evaluated for photocatalytic activity using methylene blue (MB) dye. Among all three photocatalysts, the composite showed maximum photodegradation compared to the other two materials. The present work could lead to a pathway for the decontamination of harmful dyes of wastewater released from different industries.

Bergenia ciliata (B. ciliate) leaf extract was used as a capping and stabilizing agent to synthesize copper oxide nanoparticles (CuO NPs). The selection of B. ciliate is purely based on its rich phytochemical composition and less utilization in green chemistry. The X-ray diffraction (XRD) analysis showed that the CuO NPs were found to be highly crystalline, while the irregular morphology and other structural properties were investigated by scanning electron microscopy (SEM) and transmission electron microscopy (TEM), and the average particle size was found to be 50.05 nm. Energy dispersive X-ray (EDX) spectroscopy was used to determine the percentage composition and purity, whereas Fourier transform infrared (FTIR) spectroscopy was utilized to examine the surface functional groups. CuO NPs were tested for their antibacterial properties against Gram-positive and Gram-negative bacteria, and the activity was found to increase with an increasing concentration of CuO NPs in the wells. The dose-dependent antioxidant potential is slightly higher than ascorbic acid.