This study explores copyrolysis of soybean straw (SS) with hydrogen-rich tire waste (TW) to enhance pyrolytic product quality and reduce pollutant emissions. Addition of TW increased SS biomass conversion from 67.19 to 72.46% and decreased coke/residue formation from 32.81 to 27.54%. The activation energy dropped to 121.84 kJ/mol from 160.73 kJ/mol (as calculated by the Kissinger-Akahira-Sunose method) and 122.78 kJ/mol from 159.76 kJ/mol (as calculated by the Ozawa-Flynn-Wall method). Thermogravimetric analysis coupled with Fourier-transform infrared spectroscopy (TG-FTIR) showed lowered CO2, NO2, and SO2 emissions (5.58, 5.72, 3.38) compared to conventional SS pyrolysis (18.38, 11.55, 12.37). Yields of value-added chemicals (phenols, olefins, aromatics) increased (32.38, 22.17, 30.18%) versus conventional SS pyrolysis (23.56, 13.78, 20.36%). Pyrolysis gas chromatography-mass spectrometry (Py/GC-MS) analysis reveals that the addition of TW leads to a decrease in the production of oxygenates and polycyclic aromatic hydrocarbons, reducing their yields to 8.96 and 7.67%, respectively, down from 19.37 and 14.37%. Simultaneously, it enhances the yields of olefins, aromatics, phenols, and aliphatic hydrocarbons to 23.38, 26.78, 26.17, and 25.78%, respectively, compared to 15.37%, 15.29, 18.36, and 17.25%, respectively, in the absence of TW. In summary, copyrolysis of TW with SS improves product quality and reduces pollutant emissions, marking a significant research contribution.
The optical and energy storage characteristics of the diazaborolo[3,4-a]quinolin-2(1 H)-imine based photo-switches (ABS). The twelve derivatives were designed and studied in gas and solvent phases (toluene and acetonitrile) through a comprehensive quantum-chemical investigation. The planarity and extended π-conjugation of ABS was explored, to explore ICT and light absorption behavior. Frontier molecular orbital (FMO) analysis was employed to reveal a reduced HOMO-LUMO energy gap (3.15 eV). Pronounced electrophilic character at the BF2-coordinated azo nitrogen and strong nucleophilic character at the terminal donor moiety were revealed by the dual descriptor (Δf = f⁺- f⁻), confirming the preferred intramolecular charge-transfer pathway. Reflecting enhanced solvent-stabilized intramolecular charge transfer, the main absorption (red shifted) band appeared at 664 nm, in toluene at 738.35 nm, and in acetonitrile at 745.85 nm. Exceeding 0.79 in light-harvesting efficiency and decreasing to 11.32 ns in radiative lifetime, the results indicate efficient photoexcitation and emission. Remarkably, the first hyperpolarizability (βtot) exhibited strong solvent dependence, rising from 4.355 × 10⁻29 esu in the acetonitrile to 169.551 × 10⁻29 esu, demonstrating the outstanding nonlinear optical performance of ABS12. The first-order electro-optic (Pockels) coefficient β (-ω, ω, 0) as well as the second-order nonlinear optical coefficient β (-2ω, ω, ω) induced by an electric field were also strongly amplified in polar solvents, highlighting ABS12 as a promising electro-optic and frequency-doubling material. Furthermore, the donor-acceptor structural modifications improve the isomerization characteristics of the parent Azo-BF2 framework by promoting a more favorable molecular configuration, which facilitates intramolecular charge transfer and contributes to the enhanced nonlinear optical response of the designed derivatives. Overall, the combined electronic, reactivity, and nonlinear-optical descriptors demonstrate that ABS12 is an outstanding visible-light-responsive photo switches with exceptional electro-optic and photonic energy-storage potential.
The commercialization of biodiesel is often constrained by the high cost of feedstocks and catalysts. This study presents a sustainable and cost-effective solution by valorizing two abundant waste resources: cucurbita pepo (pumpkin) seed oil and snail shells. The shells were calcined at 850 °C to synthesize a heterogeneous calcium oxide (cao) catalyst, which was comprehensively characterized (XRD, FTIR, SEM, EDX) and confirmed to be high-purity, mesoporous cao. Due to the oil's high free fatty acid (FFA) content (2.1 %), biodiesel production employed a two-step process: acid-catalyzed esterification followed by base-catalyzed transesterification. Optimization via Response Surface Methodology (RSM) established optimal conditions: a 6:1 methanol to oil molar ratio, 65 °C, 1.5 wt% catalyst, and a 60-minute reaction time, yielding 88.4 % biodiesel. The fuel properties including kinematic viscosity (4.39 mm²/s), cetane number (51.20), and flash point (166.5 °C) conformed fully with the ASTM standards. This work successfully demonstrates a viable waste to energy pathway, transforming agricultural and molluscan waste into a high quality, standards-compliant biodiesel.
This study systematically investigates eight newly designed donor-pi-acceptor (D-pi-A) chromophores derived from a 3,8-dimethyl-11H-benzo[4,5]thieno[3,2-b]benzo[4,5]thieno[2,3-d]pyrrole core coupled with a 2-cyanoacrylic acid acceptor, where seven structural variants were engineered to modulate optoelectronic properties. Comprehensive theoretical analyses, including frontier molecular orbital (FMO), natural bond orbital (NBO), density of states (DOS), electrostatic potential surface (ESP), nonlinear optical (NLO) response, light harvesting efficiency (LHE), and charge injection barrier (phi(h)/phi(e)) calculations, reveal distinct functional behaviors: four variants (SD1-SD4) exhibit donor-dominant characteristics while three (SD5-SD7) demonstrate ambipolar/acceptor properties. Detailed charge injection analysis identifies SD2 as an exceptional hole transporter (phi(h) = 0.09 eV with ITO) and SD5 as an efficient electron injector (phi(e) = 1.28 eV with Al), demonstrating how molecular engineering controls charge transport mechanisms. Donor-dominant variants (SD1-SD4) feature narrowed bandgaps (2.12-2.43 eV) and high-lying HOMOs (-4.79 to -5.13 eV), enabling efficient hole injection, while ambipolar/acceptor groups (SD5-SD7) exhibit enhanced electron affinity via lowered LUMOs (-3.02 to -3.14 eV). SD2 is optimal, with the highest hyperpolarizability (34,680 a.u.), efficient charge transfer (lambda(h) = 0.226 eV), and long radiative lifetime (12.54 ns). Key findings include: (1) reduced HOMO-LUMO gaps correlate with red-shifted absorption (up to 395 nm) and improved light harvesting (eta up to 0.91); (2) D-pi-A charge separation enhances nonlinear responses (beta(x) > 10(9) a.u.); and (3) ambipolar variants achieve low reorganization energies (<0.3 eV) for balanced charge transport. The two-level model (TLM) (beta(CT) proportional to (f(0)Delta mu)/Delta E-3, R-2 > 0.95) confirms that molecular tuning selectively enhances hole/electron injection while preserving nonlinear performance. This work provides a design framework for multifunctional materials, where donor/acceptor spatial and energetic control enables tailored optoelectronic functions. SD2/SD4 suit hole-transport layers, SD6 serves as ambipolar channels, and SD5/SD7 act as electron acceptors in photovoltaics, optical switches, or frequency doublers. These insights advance molecular engineering for targeted device applications, balancing charge transport and optical properties.
Rapid urbanization in Lahore has significantly increased the amount of municipal solid waste, creating an urgent need for solutions that convert waste into low-carbon energy. This study evaluates the hybrid anaerobic digestion of organic fraction and steam gasification of refuse-derived fuel (RDF) as a waste-to-hydrogen pathway. To quantify environmental impacts, a life cycle assessment using the ReCiPe 2016 Midpoint/Endpoint method was carried out. In addition, scenario modelling was used to study the substitution of grid electricity with PV power, while a techno-economic assessment estimated investment metrics, capital and operating costs and revenue streams. The global warming and terrestrial ecotoxicity are the highest burdens as indicated by the midpoints (climate burden ≈ 1.47×10^2 kg CO₂-eq, ecotoxicity burden on terrestrial ecosystems ≈ 56 kg 1,4-DB-eq per 1000 kg functional unit), while the principal burdens identified by the hotspot analysis are the steam gasification processes (≈34.9 % of climate burden) and the anaerobic digestion processes (≈12.61 %). By using scenario modelling, including photovoltaic integration, the climate impact was reduced to ≈ 9.40×10^1 kg CO₂-eq, and fossil resource depletion and particulate emissions were significantly decreased, while some material burden was shifted upstream. The results of the techno-economic analysis showed that the project is feasible. The capital investment was estimated at $159 600, while the annual operating cost was around $130 028. Annual revenue was estimated at approximately $230 611, resulting in a positive profit. In addition, the net present value (NPV) exceeded $1 000 000 and the payback period was estimated at about....
INTRODUCTION:Several pathological conditions, including glaucoma, malignant brain tumors, and renal, gastric, and pancreatic carcinomas, are commonly associated with carbonic anhydrase type II (CA-II). Additionally, CA-II plays a critical role in regulating bicarbonate concentration in the eyes. The inhibition of CA-II reduces aqueous humor production and thus lowers intraocular pressure associated with glaucoma. OBJECTIVES:This study aimed to synthesize potent CA-II inhibitors, 5-nitro-1H-benzo[ d]imidazole-2(3H)-thione (5NBIT) and acylhydrazone derivatives (1-13). METHODS:In this study, a new series of potent CA-II inhibitors, 5-nitro-1H-benzo[d]imidazole- 2(3H)-thione (5NBIT) and acylhydrazone derivatives (1-13), were synthesized and characterized by IR, NMR, UV and mass spectroscopy and evaluated against bovine carbonic anhydrase-II (bCA-II). RESULTS:Interestingly, most of the compounds showed better inhibition than the standard drug, acetazolamide (IC50: 18.2±0.51 μM), such as compounds 1 (IC50: 10.5±0.81 μM), 2 (IC50: 11.3±0.36 μM), 3 (IC50: 16.5±0.53 μM), 4 (IC50: 15.8±1.02 μM), 5 (IC50: 13.7±1.03 μM), and 9 (IC50: 12.2±1.03 μM). Among the synthesized compounds, compound 7 (IC50: 8.2±0.32 μM) exhibited the highest and compound 6 (IC50: 27.6±0.39 μM) showed the lowest inhibition. Structure-activity relationships suggest that the presence of nitro group on the phenyl ring contributed significantly to the overall inhibitory activity. Molecular docking of all the active compounds was performed to predict their binding behavior, which indicated good agreement between docking and experimental findings. Moreover, the MD simulation of compound 7 also showed excellent binding behavior and binding energy within the binding cavity of bCA-II. CONCLUSION:These findings suggest that the synthesized 5NBIT and acylhydrazone derivatives exhibited potent CA-II inhibition, with several compounds outperforming the standard drug acetazolamide. These results provide valuable insights for the development of novel CA-II inhibitors with potential therapeutic applications in glaucoma and other related conditions.
Plants are rich in bioactive compounds, including alkaloids and phenolic compounds such as phenolic acids, coumarins, flavonoids, and tannins. These protective compounds in plants also have significant therapeutic benefits for humans. The study was conducted at Sokoto State University, Nigeria, the research involved collecting sample at Waziri Maccido road, Bazza Area, Sokoto and extracting the sample using n-hexane, ethyl acetate and ethanol (cool extraction) and aimed to investigate the phytochemical and antibacterial activities of the extracts (n-hexane, ethyl acetate and ethanol). The bioactive compounds were analyzed using method adapted from Ahmad and theantibacterial analysis was carried out against standard laboratory strains of Staphylococcus aureus (Gram positive), Bacillus subtilis (gram positive), Escherichia coli (Gram negative) and Pseudomonas aeruginosa (Gram negative) using Broth Dilution method. From the result obtained, the mass and the percentage yield of the three fractions obtained from n-hexane, ethyl acetate and ethanol were 9.35g, 3.79%, 6.55g, 2.91% and 24.17g, 11.35% respectively. Ethanolic fraction contains more of the fraction than n-hexane and ethyl acetate. Saponins, phenols, flavonoids, tanins, alkaloids were all present in ethyl acetate and ethanol extract but absent in n-hexane extract. Anthraquinones was absent in all the three extracts but there was presence of steroid and cardiac glacosides in all the three extracts. The result of antibacterial deduced that n-hexane and ethyl acetate fractions have more activity on bacterial strains with zone of inhibition ranging from 2-21mm while the ethanol fractions show less activity ranging from 2-12mm. These extracts have shown the zone of inhibition of the commercial antibiotic Ampicilin (positive control) to be 13-27mm. The MIC/MBC result of n-hexane was 500/500, ethyl acetate 500-62.5/500-62.5 and ethanol 250-62.5/250-62.5 against all the isolates respectively.
With the evolution in climate, heat waves are occurring more commonly which leads to imply indoor temperatures. Several temperature thresholds have been suggested in diverse environments for the indication of indoor overheating. In this study, threshold values for perceived heat stress are evaluated and differentiated between susceptible households and non-susceptible households for the residents of Faisalabad in Pakistan. Data from 52 low to middle-income households were analyzed with the help of regression analysis, t-tests, and analysis of variances to discover characteristics associated with perceived heat stress during the nighttime period in the selected houses. We considered socio-demographic characteristics, health-related queries, heat-related health problems, and house/building material variables from the selected households. The results suggest that the health status during heat stress, age factor, climate zone, and high indoor temperature were the key attributes for the perceived heat stress. The threshold limit advised by the WHO for indoor is 24°C and most of the dwellers in case study live in 36-38°C. People appeared to be at risk for perceived heat stress without knowing to be at risk, particularly when numerous people live in one room (threshold limit 34.8◦C), suffering from disease (35.6 ◦C) and below 60 (39.8 oC); therefore they do not take it seriously, to take adaption measures.
Arsenic contamination in natural water poses a significant risk to human health and the environment. This study evaluates the ability of lanthanum@doped-MOF-808 (La@MOF-808) to remove arsenic from water and wastewater from various locations in Lahore, Pakistan. Across all samples, the average arsenic removal rate for La@MOF-808 exceeded 97.2
Drought has emerged as the deadliest abiotic stress that interferes with the physio-biochemical pathways in germinating seeds and growing plants severely damaging their germination, growth and final yield. It has become a major challenge for sustainable productivity of economically important and highly-demanded crops posing serious economic and food security issues. Considering ecotoxicity issues and the high impact of nanotechnology in agriculture, it is highly desirable to develop nanotech products with growth-promoting agents and stress emulating potential from natural antioxidants. Curcumin (Cur), a known polyphenol from Curcuma longa has a wide range of activities including exceptional antioxidant potential. The zinc oxide nanoparticles (ZnO NPs) have high growth-stimulating and antioxidant properties. This study reports the preparation of Cur-coated ZnO NPs as an ecofriendly nanopriming agent for the induction of drought tolerance in wheat seedlings. The control, nanoprimed (5, 10 and 15 ppm) and hydroprimed wheat seeds were germinated under normal and drought (osmotic potential of 15 % of PEG (-0.3 MPa)). Subsequently, the biochemical analyses and germination studies were performed using the established seedlings. The nanopriming induced significant increase in proteins, photosynthetic pigments and antioxidants (CAT, POD, APX and SOD) in seedlings under stress and normal conditions. They regulated the production of oxidants, controlled the osmoregulation and reduced malondialdehyde (MDA) ensuring the integrity of membranes as countermeasures of drought. The priming treatments positively influenced the germination parameters including germination index, germination energy and final germination by readjusting the biochemical pathways for mitigation of hazards of stress. The growth stimulatory effect of the prepared nanosystem caused a significant reduction in mean germination time. Thus, the primingmediated memory imprints elicited resistance against drought at the germination and seedling development stage guaranteeing sustainable growth.
This study explored the synthesis and characterization of the iron nanoparticles (FeNPs) using Micromeria biflora extract. The rapid reduction of iron ions, evidenced by a distinct color change, signifies an efficient interaction, leading to successful FeNPs formation. UV-visible spectroscopy confirmed the synthesis, revealing an absorption peak at 295 nm that intensified over time. Fourier transform infrared (FTIR) spectroscopy demonstrates phytochemical involvement. Field emission scanning electron microscopy (FESEM) images displayed cuboctahedron-shaped NPs with various facet formations, which are crucial for diverse applications. DISCUS package was used to simulate the shape and decorate the surface with organic molecules obtained from the extract. Energy dispersive X-ray spectroscopy (EDS) was used to confirm the elemental composition. Additionally, potential applications, including enzyme effects and sedative and anti-inflammatory properties, were explored. The extract and FeNPs showed anticancer effects against MDR2780AD cell lines, with IC50 values of 1.99 and 0.91, respectively. The tested FeNPs showed 92.22%, 76.22%, and 88.23% inhibitory effects against urease, CA-II, and XO, respectively. The maximum percentage analgesic effects of the extract (100 mg/kg) and FeNPs (10 mg/kg) were 65 and 82, respectively. The maximum anti-inflammatory effect was observed at the third hour of treatment. The anti-inflammatory effect of FeNPs (90%) was superior to that of the extract (60%).
ABSTRACTThis study investigates the metabolic disruptions caused by nicotine (NIC) exposure, with a particular focus on amino acid and lipid metabolism, and evaluates resveratrol (RSV) as a potential protective agent. Mice were divided into four groups: control (CON), NIC‐exposed, NIC + RSV‐treated, and RSV‐only. NIC exposure resulted in significant weight loss, elevated glucose levels, altered lipid profiles, and organ damage, particularly in the liver and kidneys. Increased inflammation was evidenced by elevated levels of IL‐6 and CRP. In contrast, RSV treatment mitigated these effects by improving lipid profiles, glycemic indices, and reducing inflammatory markers. Histopathological analysis confirmed reduced tissue damage in the NIC + RSV group compared to the NIC‐alone group. Metabolomics analysis using LC‐MS/MS revealed significant dysregulation in lipid, amino acid, and nucleotide metabolism in NIC‐exposed mice. Fold‐change analysis identified altered metabolites, including sphingomyelin 36:1;02 (p < 0.001), valine (p < 0.001), triacylglycerol 4:0–18:1 (p < 0.001), and ceramide 32:1;02 (p < 0.001). Amino acids such as arginine, phenylalanine, glutamic acid, tyrosine, and lysine, as well as NIC metabolites like nornicotine and cotinine, were identified, underscoring molecular fragmentation analysis findings. RSV treatment partially restored metabolic balance, highlighting its role as a metabolic modulator. This study underscores the therapeutic potential of RSV in alleviating NIC‐induced metabolic dysfunctions by restoring lipid homeostasis and reducing inflammation. Additionally, it emphasizes the importance of RSV in addressing NIC‐related metabolic impairments and the need for noninvasive biomarkers for early disease detection.
ABSTRACTThe incorporation of waste plant residues into practical applications, particularly as a sustainable source of green dyes in textiles, is increasingly recommended by the global community. This research investigates the potential of Rangoon creeper flowers and madder roots for silk dyeing through environmentally friendly methodologies. Therefore, extraction procedures were conducted in suitable mediums and applied to the fabric before and after microwave (MW) treatment for durations of up to 10 min. Similarly, response surface methodology was employed to assess the significance of various dyeing parameters, which influence shade development and enhance colorfastness. The results indicate that subjecting acidic binary extracts of Rangoon creeper flowers and madder roots, along with silk fabric, to 6 min of radiation at 700 W is an effective condition for achieving colorfast shades, particularly when applied before and after mordanting with Al, Fe salts, and tannic acid single and their binary solution as eco‐chemical agents. The highest color strength (K/S = 15.0) was obtained using an acidic extract after MW treatment. Hence, evaluation based on standard methods such as ISO protocols for lightfastness, wash fastness, and rub fastness demonstrates that employing selected shades produced under environmentally friendly conditions is both time and energy‐efficient, yielding stable colorfast hues rated from good to excellent. This study suggests that utilizing microwave treatment in addition to statistical methodologies like the central composite design for exploring novel dye‐yielding plants, coupled with eco‐mordanting techniques, holds promise for obtaining desirable colorfast shades.
Background: Brassica napus represents a major oilseed crop globally and locally, belonging to the economically significant family Brassicaceae. As the world’s third most important source of edible oil after soybean and cotton, rapeseed and mustard play a critical role in supplementing domestic oil requirements. Understanding the extent of genetic variability within available germplasm is essential for strengthening breeding pipelines, improving productivity, and enhancing oil quality traits needed to meet growing nutritional and industrial demands. Objective: To assess the genetic variability among Brassica napus genotypes based on morphological and quality-related traits for effective selection and future breeding application. Methods: Ten genotypes of Brassica napus were evaluated under a randomized complete block design with three replications. Data were recorded for plant height, shoot diameter, days to 50% flowering, days to maturity, main raceme length, silique length, number of seeds per silique, siliques per main branch, thousand-seed weight, seed yield, oil content, protein content, erucic acid, and glucosinolate concentration. Statistical analyses included analysis of variance (ANOVA) to detect significant differences, followed by LSD tests for pairwise mean comparisons. All procedures ensured accurate assessment of trait variability and genotype performance. Results: Highly significant differences (p < 0.05–0.001) were detected across all traits. Main raceme length ranged from 91.4 to 129.8 cm, silique length from 8.14 to 11.78 cm, and seeds per silique from 19 to 27.6, with Dunkled showing the highest values. Seed yield varied between 1252 and 1764 kg/ha. Genotype RBN-63 possessed the lowest erucic acid (0.42%) and glucosinolates (119 µmol/g) along with high protein content (23.5%), whereas RBN-72 exhibited the highest oil content (45%). Coefficients of variation remained low to moderate, confirming stable trait expression. Conclusion: The study identified substantial genetic variability among the genotypes, enabling meaningful selection for breeding. RBN-63 and RBN-72 were most promising for enhancing oil quality and protein content, while Dunkled showed superiority in yield-contributing traits. These findings offer valuable direction for developing high-yielding, high-quality Brassica napus cultivars.
This study focuses on the synthesis of 2-Mercaptobenzimidazole-mediated hydrazide-hydrazones and their invitro evaluation as cholinesterase inhibitors along with molecular docking analysis. Herein, 13 new 2-(dodecylthio)-1H-benzo[d]imidazole-1-yl acetohydrazide hydrazones (8a-8m) were synthesized with good-toexcellent yields utilizing 2-Mercaptobenzimidazole as a precursor. The synthesized compounds were characterized through modern spectroscopic techniques, such as 1H NMR and HRMS. Dual inhibition of Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) by compounds was examine in-vitro to test anticholinesterase efficacy of these molecules. Compounds, 8m, 8i, 8e, and 8d exhibited excellent dual inhibitory potential (IC50 ranges from 22.6 f 0.90 to 29.3 f 0.66 mu M for AChE, and 18.9 f 0.65 to 25.7 f 0.67 mu M against BChE) as compared to galantamine (IC50 = 29.5 f 0.90 mu M for AChE and 27.8 f 0.87 mu M for BChE). Compounds 8a, 8b, 8c, and 8l also showed good dual inhibitory activities against AChE and BChE, however slightly less than the galantamine. In-silico docking analysis reflects good binding ability of active inhibitors with both the enzymes to produce dual inhibition of AChE and BChE. Moreover, DFT analysis of 8m reflects -0.17384 and -0.27143 eV energies of HOMO and LUMO orbitals, respectively. This study suggests that 2-(dodecylthio)1H-benzo[d]imidazole-1-yl acetohydrazide hydrazones hold promise as alternative drugs for treating diseases associated with the upregulation of cholinesterases.
Black carbon (BC), despite their small contribution in atmospheric aerosol loads, have growing attention for air quality, human health, and climate change implications. This study aims to investigate the long- term spatio-temporal trends of BC over various metropolitan cities in Pakistan through MERRA-2 reanalysis datasets ranging from 2001 to 2022. In addition, statistically significant spatial clusters (hotspots) of BC in Pakistan have been assessed through a geospatial statistical tool (Getis-Ord 𝐺∗𝑖) and finally, the hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model has been applied to identify the path and direction of BC. The increased trend of BC has been observed in winters due to low PBH (planetary boundary layer) and increased anthropogenic activities during this season. The decreased trends of BC were observed in summers due to precipitation and the washout process. Among the metropolitans of Pakistan, the highest values of BC concentration were recorded in Karachi while lowest values have been observed in Islamabad. The findings showed that most of the hotspot regions are in the southern region along with some central areas. The results demonstrate that BC concentration in Pakistan rises annually because of increased biomass burning, vehicle emissions, and transboundary air pollution. It is anticipated that our study will furnish valuable insights for assessing the hotspots of BC along with their local and remote sources across Pakistan.
The present research work is employed with the synthesis of 4,4 '-sulfinyldiphenol-linked hydrazones, their in- vitro evaluation as cholinesterase inhibitors, and their molecular docking analysis. A total of 29 new bis(acylhydrazones) scaffolds (4-32) were recently synthesized in moderate to high yields utilizing 4,4-dithiophenol to serve as precursor. All the synthesized compounds were characterized through spectroscopic techniques such as H-1 NMR, C-13 NMR and HRMS-ESI+. Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) were used as biological targets in order to conduct in-vitro anticholinesterase efficacy using these substances. Among all, compounds 11 (IC50 = 66.3 +/- 1.3 mu M) and 13 (IC50 = 62.3 +/- 0.6 mu M) showed the most significant AChE inhibitory potential as compared to the standard inhibitor, galantamine (IC50 = 69.7 +/- 0.18 mu M). While compound 9 showed excellent inhibition of BChE (IC50 = 53.9 +/- 2.6 mu M), and compounds 14, 25 and 32 exhibited the significant dual inhibition of AChE and BChE. The molecular docking of most active compounds (13 for AChE and 14 for BChE) indicates excellent binding potential of those inhibitors with their respective targets. The study reflect that those molecules can be considered as drug-like candidate upon further optimization.
This study reports the plant extract-assisted synthesis of iron oxide (Fe3O4) using the aqueous extract of Thevetia peruviana. The synthesized IONPs were confirmed via UV-Vis spectroscopy (295 nm) and characterized using FTIR and SEM. Density Functional Theory (DFT) calculations indicated a thermodynamically and mechanically stable system with semimetallic behavior and visible light absorption. The biological activities of the IONPs were evaluated, including enzyme inhibition assays for urease, α-glucosidase, carbonic anhydrase-II, and xanthine oxidase, as well as anticancer activity. The Fe₃O₄ NPs exhibited potent enzyme inhibition, including urease (94.78%, IC₅₀ = 24.98 µg/mL), α-glucosidase (86.09%), and carbonic anhydrase-II (82.98%, IC₅₀ = 24.78 µg/mL). Additionally, molecular docking was performed to evaluate the interaction of Fe₃O₄ NPs with target enzymes, supporting their inhibitory potential. The NPs also demonstrated notable anticancer activity, particularly against MDR 2780AD (IC₅₀ = 0.39 µg/mL). These results showed significant enzyme inhibition and anticancer properties, indicating the potential of these green-synthesized IONPs in biomedical applications.
Background: Drought is one of the most limiting environmental stresses affecting both early seedling establishment and later developmental stages of agricultural crops. Its frequent occurrence, intensified by irregular rainfall and rapid climate shifts, severely disrupts the productivity of oilseed crops and contributes to substantial yield reductions. These challenges highlight the urgent need to identify drought-resilient and locally adapted Brassica germplasm that can withstand water-deficit conditions and support sustainable crop improvement programs. Objective: This study aimed to evaluate the performance of ten Brassica genotypes under varying levels of polyethylene glycol (PEG-6000)–induced drought stress and identify drought-tolerant candidates suitable for future breeding initiatives. Methods: A controlled-environment Petri dish experiment was conducted using a Completely Randomized Design with three replications. Four treatments were applied: a non-stressed control and PEG-6000 concentrations of 5%, 10%, and 20% to simulate mild, moderate, and severe drought stress. Ten genotypes were assessed for germination percentage, shoot length, root length, root-to-shoot ratio, shoot and root fresh weight, shoot and root dry weight, seedling fresh weight, and seedling dry weight. Data were recorded eight days after sowing and analyzed using analysis of variance to determine significance across genotypes, treatments, and genotype-by-treatment interactions. Results: Highly significant differences (p < 0.001) were observed among genotypes, treatments, and their interactions. Values ranged widely across traits, including germination percentage (40–100%), shoot length (0.33–8.30 cm), root length (0.20–5.37 cm), and root-to-shoot ratio (0.28–0.93). Biomass parameters also showed considerable variation, with shoot fresh weight (0.002–0.54 mg), root fresh weight (0.01–0.04 mg), shoot dry weight (0.0005–0.0134 mg), and root dry weight (0.0003–0.010 mg). The 5% PEG-6000 treatment consistently enhanced seedling performance compared to higher stress levels. Among genotypes, RBN-08003 showed superior performance across multiple traits, whereas UAF-11 ranked lowest under most treatments. Conclusion: Mild drought simulated through 5% PEG-6000 proved most favorable for seedling growth in the evaluated Brassica genotypes. The genotype RBN-08003 demonstrated strong drought tolerance and appears promising for incorporation into future breeding programs focused on water-limited environments.