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Abstract As a springboard to explore novel potent inhibitors of cholinesterase enzymes (AChE and BChE) responsible for causing Alzheimer disorder, the current study was conducted to synthesize pyrrole derived triazole based Schiff base scaffolds by facile synthetic route. These compounds were validated by 1HNMR, 13CNMR and HREI-MS. All these scaffolds (1–16) were examined for their inhibitory activity against AChE and BChE in contrast to Donepezil (10.20 ± 0.10 and 10.80 ± 0.20 µM) and Allanzanthone (12.40 ± 0.10 and 13.10 ± 0.10 µM). All pyrrole derived triazole based Schiff base scaffolds (1–16) showed varied range of inhibitory potentials against acetylcholinesterase and butyrylcholinesterase enzymes with lowest inhibition concentration values ranging from 5.10 ± 0.40–27.10 ± 0.10 µM (for AChE) and 5.60 ± 0.30–28.40 ± 0.30 µM (for BChE). SAR analysis of these derivatives revealed analog 7 as lead molecule against targeted enzyme, while analog 6 and 11 were ranked as second and third most potent scaffolds. Binding affinity and selectivity of potent molecules against targeted enzymes were examined by molecular docking and obtained results showed that potent molecule have versatile significant binding interactions with stated enzymes. Furthermore, safety profiles of potent analogues were predicted via ADMET protocols. Graphical Abstract

Kidney failure is a kidney function disorder that occurs in more than 90.00% of people in the world, especially in developing countries. In 2013, around 12.50% of the 25 million population experienced kidney failure and 78.00% had to undergo dialysis for life. In this research, a hemodialysis method was developed, namely molecularly imprinted membrane (MIM), which has high selectivity for urea molecules with high binding capacity using a membrane in the form of hollow fiber. Variations in research use urea transport concentrations such as 50, 200, and 300 ppm. The analysis using UV-vis spectrophotometry on HFHIM with a solution mixture of 50 ppm showed that the receiving phase by the membrane was 70.48% urea, 12.97% creatinine, and 9.42% vitamin B12. Meanwhile, the feed phase is 28.25% urea, 85.41% creatinine and 88.64% vitamin B12. When using HFHNIM, the receiving phase is urea 44.78%, creatinine 58.51%, and vitamin B12 31.00%. Meanwhile, the feed phase is 54.55% urea, 40.57% creatinine, 68.29% vitamin B12. The selectivity of HFHIM for urea is better than creatinine and vitamin B12 compared to HFHNIM, in the order of selectivity urea > creatinine > vitamin B12.

In this study, magnetic natural zeolite (ZTM) was prepared using the coprecipitation method and dithizone was then immobilized on its surface in less toxic medium of alkaline to yield dithizone-immobilized magnetic zeolite (ZTM-Dtz). The synthesized ZTM-Dtz was characterized by FTIR and XRD, indicating that dithizone was successfully immobilized on the surface of ZTM. Vibrating sample magnetometer measurements showed superparamagnetic properties of either ZTM or ZTM-Dtz with magnetization values of 7.35 and 11.49 emu g−1, respectively. The adsorption kinetics of Pb(II) on both adsorbents followed a pseudo-second-order and their adsorption isotherms were properly described by the Langmuir model. The adsorption capacity of ZTM and ZTM-Dtz were 6.94 and 38.46 mg g−1, respectively, suggesting that dithizone immobilization enhanced the adsorbent capacity more than 5 times. The interaction mechanism between Pb(II) metal ion and ZTM was dominated by ion exchange, whereas that of ZTM-Dtz was mostly hydrogen bonds and complexation. The synthesized material is promising to be developed for the adsorption of heavy metal ions such as Pb(II) because it provides a high adsorption capacity and the adsorbents can be easily separated magnetically after application.

In our previous study, we documented the anti-melanogenic efficacy of calebin-A (CBA), which is a curcuminoid analog. The effects of its newly synthesized analogs, i.e., bisdemethoxy calebin (BD), demethoxycalebin-1 (DA1), demethoxycalebin-2 (DA2), and tetrahydrocalebin-A (THCBA), on melanogenesis have not been examined yet. Herein, we evaluated these four CBA analogs to determine their impacts on the enzymatic activity of mushroom tyrosinase. Additionally, we examined their effects on melanogenesis and the tyrosinase activity in B16F10 mouse and MNT-1 human melanoma cells. The antioxidant activity of the analogs was also assessed. Our results revealed that BD was ineffective, while DA1 and DA2 showed similar antioxidant activities, with THCBA exhibiting the greatest antioxidant activity. Next, the diphenolase activity assay results revealed that DA1 showed the most excellent inhibitory efficacy, DA2 and BD showed similar inhibition profiles, and THCBA was ineffective. In addition, the results of the monophenolase activity showed a similar pattern, except that THCBA suppressed the activity. The four analogs were evaluated for any cytotoxicity over a 48 h duration in B16F10 and HaCaT keratinocytes, where DA1 exerted cytotoxicity at the concentration of 50 µM. Based on this, the analogs were evaluated over a 10–50 µM concentration range, while DA1 was evaluated over 10–35 µM. BD showed the greatest efficacy at multiple concentrations in significantly diminishing melanogenesis in hormone-stimulated B16F10 cells, while DA1 and DA2 suppressed melanin at 35 and 50 µM, respectively, and THCBA stimulated melanogenesis at 50 µM. In addition, BD and DA1 suppressed tyrosinase activity in B16F10 cells, with no effect in the case of DA2 and THCBA analogs. However, in MNT-1 cells, only DA1 showed efficacy in suppressing melanin production while the other three analogs were ineffective. Interestingly, BD and DA1 suppressed MNT-1 cell tyrosinase activity. Collectively, our results indicate that of the four analogs, DA1 merits further investigation as a potential compound for hyperpigmentation skin disorders. Additional research is necessary to delineate the molecular mechanisms underlying the melanogenesis-inhibitory effect of CBA analogs and examine their efficacy in diminishing melanogenesis in normal human melanocytes.

Abstract Salinity gradient energy (SGE), known as blue energy is harvested from mixing seawater with river water in a controlled way using ion exchange membranes (IEMs). Using 2D materials as IEMs improves the output power density from a few Wm−2 to a few thousands of Wm−2 over conventional membranes. In this review, we survey the efforts taken to employ the different 2D materials as nanoporous or lamellar membranes for SGE and provide a comprehensive analysis of the fundamental principles behind the SGE. Overall, this review is anticipated to explain how the 2D materials can make SGE a viable source of energy.

This research aims to improve student environmental knowledge and literacy with natural products experiment activity worksheets. The methods used in this research are pre-experimental. The subjects of this research are 15 students from an Islamic high school. The research results show that natural products experiment activity worksheets effectively improve students' learning outcomes. The research results indicate that the pre-test results obtained an average score of 50.8, indicating that students needed help understanding the material before using natural products' experiment activity worksheets. Post-test results showed an average score of 80.5, indicating that students experienced increased learning outcome scores. The average normalized gain score is 0.59, indicating a medium increase in chemistry learning outcomes. The self-assessment questionnaire on environmental literacy, conducted after using the integrated natural products experiment activity worksheets, showed that knowledge had an average score of 4.33 and was rated as excellent, behavior had an average score of 4.31 and was rated as good, and attitude had an average score of 4.37 and was also rated as good. Overall, students' environmental literacy was rated as outstanding, with an average score of 86.74%.

In this work, an Ag@Cu/TiO2 ternary nanocomposite was synthesized by a simple chemical methodology and subsequently studied for the photocatalytic degradation of rose bengal (RB) dye under visible light as well as its hydrogen production. The shape, size and topographical analysis by scanning and transmission electron microscopy revealed that all the constituents are well intercalated and are in the nano range. The energy dispersive X-ray analysis of the Ag@Cu/TiO2 showed the presence of Ti, O, Cu and Ag and the absence of any other impurities, while the mapping analysis showed their uniform distribution. The X-ray photon spectroscopy also showed successful interaction between the components. Furthermore, the changes in the chemical state of Ti2p were examined. The band gap of Ag@Cu/TiO2 using the Tauc plot relations was found to be the lowest at 2.86 eV in comparison to pure TiO2 (3.28 eV), binary Ag/TiO2 (3.13 eV) and Cu/TiO2 (3.00 eV). The Ag@Cu/TiO2 displayed the lowest photoluminescence intensity, suggesting the highest degradation efficiency and lowest recombination rate. The application of Ag@Cu/TiO2 toward the photocatalytic degradation of RB dye exhibited a degradation rate of ~81.07%, which exceeds the efficiency of pure TiO2 by 3.31 times. Apart from this, the hydrogen production of Ag@Cu/TiO2 was found to be 17.1 μmol h−1 g−1, suggesting that copper and silver synergistically contributed, thereby resulting in the increased hydrogen production of pure TiO2.

This research aimed to develop new curcumin analogous as antiplasmodium candidates. Six curcumin analogous (1-6) were proposed and docked against three Plasmodium falciparum receptors, namely PfENR, PfLDH, and PfATP6. The docking studies were carried out to predict the interaction among the compounds and receptors as well as their binding affinity. Three curcumin analogous (3, 4, and 6), which displayed specific interactions with the target receptors and possessed the lowest binding affinity were further proceeded to synthesis and in vitro antiplasmodium assay. Synthesis of the analogous 3, 4, and 6 was carried out from 2-chlorobenzadehyde via aldol condensation reaction and the products were obtained in good yields. Their in vitro antiplasmodium activities were then evaluated against P. falciparum FCR3 and 3D7 strains. The results showed that analogous 3, 4, and 6 were active against both strains with low levels of resistance. The in silico evaluation of the physicochemical and pharmacokinetic parameters showed that curcumin analogous displayed a better ADMET profile than curcumin, demonstrating the great potential of the developed curcumin analogous as antiplasmodium candidates.

Diabetes mellitus (DM) is a metabolic disorder characterized by elevated blood glucose levels. There are 2 types of DM where molecular-level diagnosis becomes very important because both have different treatments to avoid treatment errors. An electrochemical aptasensor as a type 2 DM detector with insulin target has been developed. This study aims to determine the interaction and specificity based on the values of RMSD, RMSF, and binding energy between aptamer and insulin when it reaches stability in silico compared to HbA1c and glucose. Docking simulations were performed on the HDOCK webserver and dynamics simulations for 1000 ns on the aptamer and protein molecular models used. The simulation results were analyzed to see the stability and visualized using VMD to see the conformation of the aptamer-ligand complex. The docking result showed higher binding energy between aptamer-insulin compared to other molecules, namely −221.87 kcal/mol. The results of RMSF and RMSD analysis of molecular dynamics simulations show that the system is stable, has the best binding energy value of −9.9510 kcal/mol. The aptamer complex with insulin showed better specificity compared to glucose and HbA1c based on RMSD, RMSF, and binding energy.

Laser-induced breakdown spectroscopy (LIBS) was employed to characterize the geochemical signatures layer by layer of 2004 Indian Ocean tsunami deposits in Seungko Mulat Village, Aceh Province, Indonesia. In the LIBS experimental setup, a Nd-YAG laser beam is directed towards the deposit samples, and the resulting atomic emission lines from the laser-induced plasma are captured using a spectrometer. Our analysis reveals terrestrial indicators (Fe), heavy metals (Cu, Cr, Co, Cd), and increased emission intensity of Mg, Ca, Al, K, Si, Ba, N, and O in the 2004 Indian Ocean tsunami layers. The emission intensity ratios of several elements in the 2004 Indian Ocean tsunami deposit layers, namely Ca/Ti, Si/Ti, and K/Ti, unveil notable disparities among the elements evaluated. This indicates the possibility of utilizing these ratios as reliable geochemical markers to differentiate the layer by layer of tsunami deposits. LIBS surpasses XRF in detecting nearly all elements simultaneously and identifying both light elements and specific heavy metals (Ba, Cu, Cr, Co, Cd, Pb, Ni, V, W), exceeding XRF's detection capabilities. This study emphasizes the effectiveness of LIBS as an advanced optical technique, offering speed and promise in analyzing layer-by-layer geochemical markers of the 2004 Indian Ocean tsunami deposits in Seungko Mulat Village.

We assessed the richness, diversity, composition of the large mammal community in Ghamot National Park (GNP), Neelum valley Azad Jammu and Kashmir, Pakistan, and how these characteristics differed between four habitat types: forest, riparian zone, scrubland, and wetland, as well as between seasons. Across all locales with 66 line transect surveys (53km), indirect observation had the highest sampling (n=131; 76.60%) while direct observation had the lowest (n=40; 23.39). Fecal dropping was the most common type of indirect evidence (n=73; 55.72%), followed by foot prints (n=29; 9.94%) and dens/latrine (n=19; 14.50%). The Scrubland zone had the most indirect evidences (n=37) of any zone (elevation ranges between 2600-3600m).The forest zone (elevation ranges between 2700-3450m) had the second highest sampling (n=28), followed by the Alpine Zone (n=28), Riparian Zone (n=21), and Alpine Pasture Zone (n=16) (elevation 4000-4400m; habitat type high alpine pastures). By using direct and indirect field evidence, 14 species from 6 families were identified. Unfortunately, the number of species encountered directly was low in this study; four species (28.57%) were directly observed, including Canis aureus, Vulpes vulpes, Macaca mulatta, and Semnopithecus ajax, while the remaining ten (71.42%) were observed indirectly. Summer had the most direct and indirect observations (n=86; 50.29%), followed by winter (n=85; 49.70%). (4.28). Season had little effect on species richness, diversity, and composition across or within habitat types. However, the richness of species varied greatly across seasons among the four habitat types. The forest and riparian zone had the greatest similarity in species composition, both between and among seasons. Finally, our findings show that GNP has an essential influence in Pakistan mammal conservation. Our findings will provide as a baseline for park management to make effective conservation decisions, as well as a baseline for researchers conducting similar ecological studies.

This study was aimed to synthesize biogenic silver nanoparticles (AgNPs) using Nigella sativa (N. sativa) plant extracts as bio-reductant. The fabricated nanoparticles were characterized by UV–visible, FTIR, and XRD. The extracts and AgNPs were then evaluated for their antioxidant and antimicrobial potentials using DPPH (2, 2-diphenyl-1-picrylhydrazyl) assay and agar well diffusion assay correspondingly. The color change from pale yellow to tan brownish confirmed the fabrication of nanoparticles. The broad peak from 420 to 430 in the UV–Visible spectrum also confirmed AgNPs formation. In XRD spectrum the peaks indices (111), (200), (220), and (311) belonging to 2θ values of 38.101, 44.370, 64.179, and 77.549 indicated the presence of silver crystals (JCPDS file no. 00-001-1167). The presence of organic functional groups in the FTIR spectra confirmed the involvement of plant phytochemicals in fabrication of nanoparticles. Comparatively strong antioxidant potential was recorded for silver nanoparticles in comparison to parental extract. The lowest IC50 recorded was in the case flower based AgNPs was 70 µl where it corresponding crude extract resulted in IC50 of 910 µl. Highest IC50 was recorded for stem extract based NPs (100 µl). The antifungal potential of AgNPs from flower was high (24 mm) and that of the stem extract-based NPs was low (19 mm) whereas the antibacterial potential of the stem and seed extract-based extract was comparable however, the leaf and flower-based extract-based NPs were also, substantial. It was concluded from the results that all the whole Nigella sativa plant contained the reductant phytochemicals which be effectively used to fabricate NPs of the desired sizes. The fabricated NPs also exhibited good antioxidant and antimicrobial properties and can be considered as alternative drugs subjected to further verifications of the results in animal model.

The present study reports the design and synthesis of new benzimidazole-oxadiazole compounds as potent inhibitors of α-glucosidase and α-amylase. The synthesized molecules were characterized through different techniques such as 1HNMR, 13CNMR, HREI-MS and evaluated for their in vitro inhibitory activities against these enzymes. Among the compounds screened, compound 8 demonstrated the highest inhibitory activity against both α-glucosidase (IC50 = 11.60 µM) and α-amylase (IC50 = 6.20 µM). Molecular docking analyses were conducted to investigate the binding modes and interactions of the active compounds within the enzyme active sites. The results demonstrate that several benzimidazole-oxadiazole hybrids exhibited potent inhibitory effects on both α-glucosidase and α-amylase, suggesting their promise as antidiabetic agents.

The study proposed the removal of Brilliant Green, a cationic dye, by adsorption process from wastewater solution utilizing a low-cost adsorbent such as Nutraceutical Industrial Pepper Seed Spent (NIPSS). The study comprises an investigation of the parametric influence on the adsorption process. The parameters identified are pH, dye concentration, process temperature, quantity of the adsorbent, and particle size. The study of statistics found from experiments was carried out by incorporating Freundlich, Brouers-Sotolongo, Langmuir, Toth, Sips, Jovanovic, and Redlich-Peterson isotherm models. The adsorption kinetics were determined by implementing pseudo-first-order and second-order models, diffusion film models, and Dumwald-Wagner and Weber-Morris models. The experimental adsorption capacity qe was found to be about 130 mg/g. This value was closest to the maximum adsorption of 144.6mg/g predicted by the Brouers-Sotolongo isotherm which had a correlation coefficient (R2) of 0.998. The adsorption kinetics data was confirmed to be a pseudo-second-order model. The change in free energy, enthalpy change, and entropy change were vital thermodynamic factors in concluding that adsorption is almost spontaneous and endothermic process. Change in enthalpy (ΔH°) reduced value indicates the physical nature of the process. The adsorption of BG dye on the adsorbent surface was authenticated by FTIR spectroscopy and SEM imaging. A Central Composite Design (CCD) Quadratic model under Response Surface Methodology (RSM) was implemented for statistical optimization of adsorption capacity for the five parameters studied, namely, time, temperature, concentration of the dye, weight of the adsorbent, and pH. Software Design Expert 7.0 was used to evaluate 3D contour plots. The process of optimization yielded a value of 350 mg/g. Thus, incrementing the adsorption process by 84.2 %. The study provides insights on various dye and adsorbent interaction possibilities and derives that NIPSS is an efficient adsorbent to extract BG dye from wastewater solutions.

A series of new benzohydrazide based thiourea derivatives were synthesized, characterized through different spectroscopic techniques like 1HNMR, 13CNMR and HREI-MS and screened against Bacillus pasteurii (B.P) and Jack bean (J.B) ureases enzymes. All derivatives showed good inhibitory potential ranging from 20.05 ± 0.03 to 39.34 ± 1.05 (against J.B Urease) and 23.54 ± 0.21 to 58.65 ± 0.41 (against B.P Urease) as compared to the standard thiourea (IC50 = 14.02 ± 0.25 and 18.01 ± 0.13 µM, respectively). It was observed that the two scaffold 1 (IC50 = 23.54 ± 0.21 and 20.05 ± 0.03 µM) and 2 (IC50 = 26.20 ± 0.32 and 21.33 ± 0.17 µM) among the series showed good inhibitory potential. The binding interaction of the most potent analogues with the active site of enzyme were examined through the molecular docking study.

In this research work, we designed a smart biodegradable PEG-coated MnO2 nanoparticles conjugated with doxorubicin (PMnO2-Dox NPs) for dual chemo-photodynamic therapy and magnetic resonance imaging (MRI) application. This highly sensitive pH-responsive PMnO2-Dox NPs causes effective drug release under acidic pH environment. PMnO2-Dox NPs not only improves the efficacy of chemo-photodynamic therapy due to synergistic response as well as improved MRI imaging via boosting T1 MRI contrast. Manifold characterization techniques have been employed for materials investigation. Crystallography of PMnO2-Dox NPs were performed by using XRD analysis, which confirmed tetragonal crystal structure with an approximate crystallite size of 20–30 nm. Surface morphology was confirmed via SEM analysis, results indicated the spherical and asymmetric agglomerated nanocluster of PMnO2-Dox NPs. In in vitro bioassay, the anticancer activity of PMnO2-Dox NPs were tested against breast cancer (MCF-7) cell line using MTT test. Moreover, it can also inhibit the growth of primary and secondary cancers without light exposure. Results suggested that PMnO2-Dox NPs not only convenient for cancer treatment via combined chemo-photodynamic therapy but also address the way towards a comprehensive strategy for MRI application via bright contrast agent T1 after overcoming the problem of multidrug resistance (MDR) and synergistic response of therapeutic analysis.

In the Haber-Bosch process (HBp), which uses elevated pressure and temperature to produce more concentration of nitrogen and hydrogen gases, 90% of the 175 million metric tons of NH3 generated worldwide in 2016 were manufactured in this process. According to the road plan for sustainable ammonia production sustainably, using water as a reducing agent is the most effective way to fix nitrogen in close-quarters ambiance. A complete explanation of theoretical and practical work on electrocatalytic nitrogen reduction is provided in this article, with special attention paid to the low selectivity of nitrogen reduction to ammonia in comparison to protons to hydrogen. Since they are essential for accurately achieving high nitrogen production and Faradaic efficiency (FE), their information outlines electrocatalysts, electrolyte selection criteria, and managed experiment design. Under diverse conditions, the evolution of theory and experiment is examined. Finally, feedback is given on this field’s present issues and prospects.