Three new heterocyclic compounds, derivatives of hexahydropyrimidine (Py4M), thiazinam (Th4M), and oxazinan (OX4M), were synthesized through the reaction of substituted chalcone with guanidine hydrochloride, thiourea, and urea. Spectroscopic techniques such as FT-IR, mass spectrometry, and¹H NMR were used to characterize the synthesized compounds, confirming their proposed structures. The cytotoxicity of all synthesized compounds was evaluated in vitro using the MTT assay after 72 hours against the human breast cancer cell line MCF-7. The results demonstrated good activity of these compounds on MCF-7, particularly Th4M at a high concentration (1000 µg/ml), which showed an inhibition ratio of 76.9%. Three ligand-derived compounds (Py4M, OX4M, Th4M) were docked against MCF-7 breast cancer cells. Th4M exhibited the best binding affinity and potential anticancer activity.
Two-dimensional prominent Janus materials have drawn massive interest to enable optoelectronic applications, owing to broken mirror symmetry and adjustable electronic characteristics. In this work, we systematically explore the structural, electronic, and optical properties of the Janus SbBrSe monolayer based on first-principles density functional theory (DFT). Calculated results suggest that the SbBrSe monolayer can be classified as a semiconductor with an effective direct band gap of 1.190 eV located at the Γ point and exhibits a large valley energy difference of ΔE =0.81 eV between the global minimum and secondary valley in conduction bands at Г and М points, respectively. The material exhibits excellent ultraviolet (UV) light absorption, with a maximum absorption coefficient of 12.2×10⁴ cm⁻¹ and characteristic peaks at 5.2 eV and 9.8 eV. Interestingly, the negative values of the real dielectric function indicate that the monolayer shows a metallic behavior in the energy range of 5.1-6.5 eV. The SbBrSe monolayer possesses remarkable properties, including a direct bandgap and high absorption in the UV region, rendering it a promising candidate for optoelectronic applications, particularly UV photodetectors.
Drinking water treatment relies heavily on chemical processes such as coagulation and disinfection, where reaction efficiency directly influences operational performance and environmental impact. However, conventional systems often operate under design assumptions that overlook real-time variations in reaction conditions and energy–chemical interactions, leading to suboptimal performance. This study aims to investigate the reaction mechanisms governing alum-based coagulation and chlorine disinfection in a full-scale water treatment plant and to optimize their operational efficiency. A combined methodology integrating field-scale data acquisition, reaction pathway analysis, and process evaluation was employed to assess chemical consumption, energy use, and sludge formation. The findings reveal that inefficiencies in mixing and dosing significantly affect reaction completion, increasing chemical demand and energy consumption. Optimized process conditions improved coagulation efficiency and reduced excess chlorine usage. The study demonstrates that a reaction mechanism–based approach can enhance process efficiency and sustainability in water treatment systems.ons.
Water quality is a huge challenge in Iraq due to insufficient modern infrastructure for the effective treatment of wastewater, which leads to the release of non-purified effluents into river ecosystems and increases the risks for human beings' health significantly. The purpose of this research is the evaluation of white sand and natural zeolite performance as environmentally friendly and energy-saving filtration materials in removing pollutants from hospital wastewater. Multi-layer filtration systems were designed to investigate the effectiveness of both materials independently, and then to conduct the study of the combined use of the Sand-Zeolite filter under different operating conditions (flow rate, hydraulic retention time, HRT).The data obtained during the experiment prove that the combination of filtration materials improves their effectiveness in purifying wastewater from various pollutants. For instance, the efficiency of EC purification increased up to 89%, whereas TDS was removed on 69%. Moreover, the combined use of sand and zeolite demonstrated outstanding results in reducing organic load, and both BOD and COD decreased by 93% and 75%, respectively. The analysis showed that TBC was removed on 88%. Ammonia removal by the filter of the dual structure increased up to 99.6%, whereas individual use of filters resulted in the removal of ammonia by 99% (sand) and 99.7% (zeolite). It is also important to mention the efficiency of nitrate purification by Sand-Zeolite filter (64%), whereas the removal efficiency of nitrites was 56%. Sulfate (100%) and phosphorus (89%) were completely removed from wastewater by the tested filter. Heavy minerals' purification results indicated a complete removal of iron (Fe, 100%) and zinc (100%). As to chromium (87%), copper (86%) and nickel (51%) purification results, they can also be considered excellent.Thus, the combination of the filtration properties of white sand and zeolite proves to be a sustainable approach to purifying wastewater. The proposed methodology allows creating high-quality reclaimed water. The technology is extremely promising and affordable.
The fields of biotechnology and medicine are significantly impacted by the development of nanotechnology and associated materials. Presently, a prominent subject in life sciences and healthcare is the application of magnetic nanoparticles (MNPs) owing to their size-variable physical and chemical characteristics. Specifically, nanoparticles of iron oxide are being extensively studied to cure magnetic hyperthermia and provide very effective cancerous cell death. In this work, ferric and ferrous chloride were used as the starting precursors in coprecipitation process for producing magnetic Fe3O4 (NPs). Dynamic Light Scattering (DLS), Transmission Electron Microscopy, Field Emission Scanning Electron Microscopy (FE-SEM), Powder X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and Vibrating Sample Magnetometer were utilized to analyze the produced NPs. The results revealed that the NPs have spinal structure with a consistent size and a spherical shape. According to the magnetic data, sample has a soft hysteresis loop, demonstrating their ferrimagnetic nature. Furthermore, compared to the water medium, the magneto thermal response of Fe3O4 distributed in water/glycerol mixture exhibited 37% higher heat induction. These results highlights the importance of the medium viscosity in heat induction and medium of blood viscosity enhances the quantity of heat delivered, which is very promising result in hyperthermia for cancer therapy.
Sandblasting is a surface treatment process in which abrasive particles are propelled at high speed toward a material’s surface to remove contaminants such as dust, paint, rust, and oil, producing a clean, rough texture. This study investigates the influence of spraying pressure, abrasive media type, and nozzle angle on the surface roughness of ASTM A36 steel. The experiment compared sandblasting results using aluminium oxide grit 60 and silica grit 60 at pressures of 5 bar and 7 bar, with firing angles of 45° and 90°. Surface roughness was measured using a roughness tester, and surface morphology was analyzed through scanning electron microscopy (SEM). The highest average roughness (Ra) for aluminium oxide was 3.819 μm at a 90° angle and 7 bar pressure, while the lowest was 2.593 μm at 45° and 5 bar. For silica abrasives, the maximum Ra was 3.651 μm under 90°–7 bar conditions, and the minimum was 2.650 μm at 45°–5 bar. These results confirm that higher pressure and perpendicular firing angles generally produce rougher surfaces due to greater abrasive energy transfer. Overall, the findings indicate that spraying pressure, firing angle, and abrasive media type significantly affect surface roughness, providing valuable insights for optimizing sandblasting parameters in industrial surface preparation.
This determined the electrical characteristics of the six-naphthalene bridge tetracyanoquinodimethane dye that were suggested. The characteristics were determined by plotting energy and temperature against one another. The SIESTA-trunk-426 program was used for the relaxation of the dyes under study by employing the Generalized Gradient Approximation/Double Zeta Density Functional Theory (GGA/DZ-DFT). The Gollum program was employed for The SIESTA-trunk-426 algorithm was used to relax the dyes under examination using the Generalized Gradient Approximation/Double Zeta Density Functional Theory (GGA/DZ-DFT). Calculating the electrical characteristics of the dyes under study. Initially, each dye was inserted between two gold electrodes, and the dye, along with the confined layers of the electrodes, were allowed to react a second time to form the relaxed structures. Electrical conductivity, conductance, thermal conductivity, and the Seebeck coefficient were examined.
Three new Schiff base compounds (S1-S3) from 1-([1,1'-biphenyl]-4-yl)ethan-1-amine and substituted-benzaldehydes are synthesized and biologically evaluated in this work. After microwave-assisted synthesis, the compounds were purified and structurally characterized by FTIR, 1H-NMR, and 13C-NMR. Agar diffusion was used to test their antibacterial activities against pathogens such Staphylococcus aureus, Escherichia coli, Bacillus anthracis, and Acinetobacter. The derivative S2 was the most antibacterial at all doses, with inhibitory zones greater than those of azithromycin in certain instances. The cytotoxicity studies on the MCF-7 breast cancer cell line using MTT assay showed that derivatives S2 and S3 significantly inhibited cancer cell growth in a dose-dependent manner, with derivative S2 having a lower IC50 than derivative S3, indicating greater potency, which depending on in silico molecular docking investigations, derivative S3 have substantial binding affinities to the EGFR receptor and glucosamine-6-phosphate synthase, respectively, with binding energies of -8.5 and -5.4 kcal/mol, and this study suggests Schiff base derivatives multipurpose antibacterial and anticancer applications, particularly against drug-resistant microorganisms and hormone-responsive breast cancer.
Marine-derived coumarins are structurally diverse benzopyrone compounds biosynthesized under the unique environmental conditions of marine ecosystems. This review summarizes studies published between 2000 and 2025 concerning their biosynthesis, structural diversity, biological activities, and emerging technological applications. Literature was collected from major scientific databases with emphasis on experimentally validated marine-derived compounds. Current evidence demonstrates that marine coumarins exhibit antimicrobial, anticancer, antioxidant, anti-inflammatory, and neuroprotective activities, although most findings remain limited to preclinical investigations. Structural modifications such as halogenation and prenylation contribute to their distinctive physicochemical and biological properties. Beyond pharmacology, marine-derived coumarins have attracted increasing interest in green chemistry, nanotechnology, biosensing, and sustainable material design because of their fluorescence behavior, metal-coordination ability, and biodegradability. Several compounds and related analogues have also entered early clinical evaluation. Despite these advances, important challenges remain regarding sustainable sourcing, large-scale production, pharmacokinetic optimization, and clinical translation. Overall, marine-derived coumarins represent promising multifunctional natural products with potential applications spanning biomedicine, biotechnology, and environmentally sustainable technologies.
The demand for high-performance crucibles in metal casting and smelting industries has led to an increasing interest in alternative materials due to the limitations of traditional graphite-based crucibles. Evaporation boat waste, primarily composed of boron nitride (BN) and titanium diboride (TiB2), offers a sustainable alternative but has not been fully explored for crucible production. Additionally, the influence of particle size on material properties such as density, porosity, and macrostructure remains under-researched. This study aims to address this gap by examining the effects of particle size and sodium silicate binder on the physical properties of crucibles made from evaporation boat waste. Crucibles were prepared with varying particle sizes (100, 120, 140, 170, and 200 mesh) and a 15% sodium silicate binder. Density, porosity, and macrostructure were analyzed, showing that smaller particle sizes led to higher density and lower porosity. Optical macrostructure analysis indicated a more homogeneous and compacte structure for finer particles. The results showed that the 200 mesh particle size achieved the highest density of 2.138 g/cm³, representing a 5.1% increase over the lowest density of 2.0343 g/cm³. The 200 mesh sample also exhibited the lowest porosity of 1.14%, a 2.7% decrease from the largest particle size.
The energy resolution is one of the most important performance parameters of scintillation detectors, and it characterizes their ability to accurately measure gamma-ray energies. In this study, the statistical stability of the energy resolution of a NaI(Tl) scintillation detector was investigated using gamma spectra from a 137Cs source under fixed operational conditions. The energy resolution was determined from the full width at half maximum (FWHM) of the photopeak and analyzed using statistical methods. Approximately 100 spectra were acquired and analyzed in the R environment using descriptive statistics, normality tests, correlation, and regression analyses. The results show a mean energy resolution of 16.94±0.81, indicating low dispersion and stable detector performance. Although a statistically significant relationship with the measurement sequence was observed, the low coefficient of determination (R2 = 0.24) suggests that the variations are mainly due inherent statistical fluctuations. Overall, the findings confirm that the NaI(Tl) detector exhibits stable performance under controlled laboratory conditions and demonstrate the effectiveness of statistical time-series analysis for evaluating detector stability.
Chemical processes are often complex nonlinear reactions, with large numbers of operating variables, and high energy consumption; therefore, optimization is not an easy task. With the industrial data from sensors and monitoring systems becoming more widely available, artificial intelligence (AI) is being deployed to enable process efficiency as well as better decision making. Further, unlike the more traditional optimization methods used, especially for complex and high dimensional systems as in molecular design, AI techniques can do so much more efficiently than exploring the whole computational landscape thanks to their powerful predictive capabilities. This review provides an overview of recent developments in machine learning, deep learning (DL), reinforcement learning, and evolutionary algorithms for chemical process optimization across four key industrial applications: reactor design; distillation; energy management; and predictive maintenance. Results suggest that AI-driven solutions enhance process performance, energy savings and promote sustainable industrialization in the context of SDGs 7, 9, 12 and 13.
This study presents a process-integrated framework for hydrogen energy storage and post-combustion carbon capture within renewable-assisted power systems, explicitly incorporating plug-in electric vehicle (PEV) interactions. In contrast to conventional economic load dispatch (ELD) formulations that treat hydrogen and carbon capture as simplified energy components, the proposed approach adopts a process-oriented representation of electrolyzer-based hydrogen production, fuel cell energy conversion, and amine-based CO₂ absorption. The framework captures the coupling between electrical energy flows and chemical processes through energy–mass balance relationships and efficiency constraints. PEVs are modelled as flexible electrochemical storage systems with bidirectional vehicle-to-grid (V2G) capability, enabling dynamic interaction with system demand. The integrated model is formulated as a multi-objective optimization problem, considering operating cost and emission reduction, and is solved using the Zebra Optimization Algorithm (ZOA). The framework is evaluated on a standard ten-unit test system under multiple operational scenarios. Results indicate that renewable and PEV integration reduces emissions by 19% and operating cost by 10%. The inclusion of hydrogen energy storage and 90% efficient carbon capture achieves approximately 80% emission reduction with a moderate increase in cost. These findings highlight the significance of incorporating process-level chemical engineering principles into power system optimization, demonstrating that coordinated hydrogen production, utilization, and carbon capture can substantially enhance decarbonization performance while maintaining system feasibility.
Background: The increasing demand for plant-based dairy alternatives has highlighted almond milk as a popular option due to its favorable sensory properties and suitability for individuals with lactose intolerance or milk protein sensitivity. However, its inherently low levels of calcium and vitamin D3 limit its nutritional equivalence to cow’s milk, particularly in populations with higher mineral requirements. Aim: This study aimed to enhance the nutritional and functional quality of almond milk through calcium and vitamin D3 fortification, while evaluating its physicochemical characteristics, mineral bioavailability, and sensory acceptability. Methods: Almond milk was prepared using an almond-to-water ratio of 1:4, followed by fortification with calcium chloride (0.3 g/100 mL) and vitamin D3 (80 IU/100 mL). Physicochemical properties were analyzed using standard methods, while calcium bioavailability was assessed using an in vitro digestion model based on the INFOGEST protocol. Mineral quantification was performed using atomic absorption spectrophotometry. Sensory evaluation was conducted to assess product acceptability. Results: Fortification significantly increased calcium content from 13.99 to 120 mg/100 mL without altering macronutrient composition. Physicochemical parameters such as density, electrical conductivity, and total salts increased, indicating effective dissolution and homogeneous distribution of the added minerals. In vitro digestion revealed progressive calcium release, with bioavailability reaching 65.41% during the intestinal phase. Sensory evaluation demonstrated high acceptability, with no adverse effects on flavor, texture, or appearance. Conclusion: Calcium and vitamin D3 fortification effectively improves the nutritional profile and functional performance of almond milk. The integration of food science and chemical engineering principles enables the development of a stable, bioavailable, and consumer-acceptable plant-based beverage, supporting its potential as a viable alternative to dairy milk.
With the rapid development of lithium-based new energy industries worldwide, traditional lithium extraction technologies face resource scarcity, environmental pollution, and high energy consumption, calling for the exploration of more sustainable alternatives. Based on this, geothermal brine resources have played an important role in lithium exploration due to the development of efficient recovery technologies. This paper establishes a general framework for evaluating lithium extraction technology from geothermal resources, including resource characteristics, development advantages, technology comparisons, and technology synergies. It discusses the global lithium resources, the advantages and key technologies of extracting lithium from geothermal resources, the key challenges in the technology, and the future. The key technologies include evaporation-crystallization, chemical precipitation, adsorption, solvent extraction, electrochemical, and membrane separation. Of these, membrane technology, especially forward osmosis, has become an important research hotspot. The development of geothermal lithium technology has become an important direction for the future, providing important guidance for the development of geothermal resources and the theory of the green transition in the global new energy industry.
The fabrication of hybrid semiconducting materials comprising polymers and ceramics is a novel approach that has gained significant traction for designing multifunctional materials with improved electronic and optical properties. In this research, the design of a heterojunction hybrid material comprising polyethylene (PE) and Strontium Titanate (SrTiO3) was explored through extensive simulations using Materials Studio. SrTiO3 nanoparticles were dispersed in the polyethylene matrix at specific filler loadings to analyze the structural compatibility and charge-transfer phenomenon between the two constituents. The structural analysis showed increased structural compatibility and stability in the hybrid system, with improved molecular packing and reduced free volume at the interface. Electronic properties analysis revealed a heterojunction formed by the interaction between PE and SrTiO3, which altered the band structure, reduced the energy gap, and improved charge-carrier mobility compared to pristine polyethylene.
This research article highlights how Bioactive Pyrimidine Derivatives were synthesized in an environmentally friendly manner via Green Chemistry using Copper Oxide (CuO) NanoParticles (NPs) as recyclable catalysts through the multicombination Biginelli Reaction. The CuO NPs (approximately 18nm) were synthesized efficiently via a cost-effective, simple mechanical mixing/calcination method, with characterization verified with XRD, EDX, FESEM, and FTIR. The one-pot condensation reaction of the three starting reagents (aldehydes, acetylacetone, and urea) was achieved in 30 minutes at 80°C with yields of approximately 90 to 95%, which produced a major compound, (5-acetyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one). Box-Behnken design (BBD) design of experiments together with response surface methodology (RSM) using Design-Expert 13 was performed on the condensation reaction to determine the optimal conditions (1mmol of initial aldehyde, 1mmol of urea, 1mmol of acetylacetone, 0.1g of catalyst) and establish a predictive neural network model with R2=0.8684 and Adeq Precision=7.74. CuO NPs outperformed traditional and existing types of catalysts (CdO NPs and copper acetate), exhibited products with tolerance to a wide range of substituents (H, NO2, OH); additionally, they provided consistent three (3) to four (4) cycles of continuous activity, demonstrating a sustainable, scalable method for producing pharmacologically active dihydropyrimidinones.
Global demand of electric vehicles and high-energy-density lithium-ion batteries has created a critical need for efficient battery thermal management systems (BTMS) capable to controlling battery cell temperatures between 20–40 °C and prevent the thermal run away in battery packs. The choice of phase change material (PCM)-based cooling has increased as passive technique that manage excess battery heat gained by absorbing and storing as latent heat without any external power. Despite their advantages, the low thermal conductivity of conventional PCMs (around 0.2–0.5 W m⁻¹ K⁻¹) restricts their capability to effectively remove heat during charging and discharging with high C-rate. To mitigate this limitation, current research has focused on hybrid PCM-based BTMS, where PCMs are combined with liquid cooling channels, heat pipes, metal foams, thermal fins, or nano-enhanced PCMs (NePCMs) to enhance heat transfer. Reported research studies suggest that such hybrid systems can lower the peak temperature by 10–25 °C and improve temperature uniformity by 30–60 % compared with conventional cooling approaches. In upcoming years, among the various BTMS investigated, the combination of PCM with liquid cooling or heat pipe technologies, along with high-conductivity enhancements shows strong potential for electric vehicle battery packs. This article provides a detailed assessment of BTMS using PCM and hybrid PCM-based systems. In addition, use of Machine learning, digital twin structures, and advanced optimization techniques for predictive Battery thermal management are also discussed.
In present work, a heterogeneous Fenton process using prepared Fe2O3@ CeO2; 1:2 ratio /AC nanocatalyst was used to treat wastewater discharged from Iraqi petroleum refinery plant. The heterogeneous Fenton process was evaluated for its efficiency in removing COD via application a response surface methodology (RSM) and adopting a batch mode. Three essential operating factors were considered namely catalyst dosage (0.5-1.5 g/l), H2O2 dosage (0.4-1), and pH (3-7). The Fe2O3@ CeO2; 1:2 ratio /AC nanocatalyst was characterized using XRD, FESEM. EDS techniques. Results showed good adhesion property of the prepared nanomaterials with nano size with particle size diameter in range of (31.52- 69.08 nm). The optimum operating conditions were: catalyst dosage of 1.5 g/l, H2O2 dosage of 0.5878 g/l and pH of 3 in which RE% of 85% was achieved. Results of ANOVA confirmed that the catalyst dosage has the most significant effect on RE% with a contribution of 57.66% followed by pH is 22.03%, and H2O2 dosage is 11.91%. The comparison between the classical Fenton processes with heterogeneous Fenton process (Fenton- Like) showed that higher removal efficiency could be achieved using the heterogeneous Fenton process conferring the importance of application this processes as an alternative, sustainable, and cost-effective processes in the treatment of petroleum wastewaters.
Fouling in Reverse Osmosis (RO) membranes reduces filtration efficiency and shortens membrane lifespan, generating significant end-of-life (EoL) waste. This study developed recycled ultrafiltration (UF) membranes from EoL RO membranes with natural chitosan-based antifouling coatings containing garlic, lime, and green tea extracts. The process involved RO cleaning, sodium hypochlorite (NaOCl) treatment for UF conversion, coating application, and performance evaluation via permeability, salt and humic acid rejection, and water contact angle tests. The chitosan-garlic (0.4 g, 30s immersion) coating achieved the best antifouling performance, showing the lowest contact angle (40.7°) and high rejection rates for humic acid and salts. Increasing coating duration from 30 s to 3 h improved salt rejection (e.g., Na₂SO₄ rejection increased from ~18% to ~34.9%) but reduced permeability due to pore narrowing. This approach improves membrane antifouling capability while supporting SDGs 3,6,9, and 12 by promoting sustainable water treatment and waste reduction.
