Applied Chemical Engineering

Abstract Fabrication of phytosome formulation using solvent evaporation method statistical modeling, process optimization and scale up evaluation A 3^2 full factorial was then used for optimal CPP effect study (phospholipid-to-bioactive ratio, sonication time) against desired quality attributes (size, polydispersity index [PDI] and zeta potential of a well-formulated). Statistical analyses indicated that the concentration of phospholipids was the primary determinant of both particle size and colloidal stability, while sonication time modulated particle dispersion uniformity. These differential equations were easily solved, and the resulting $R^2 > 0.99$ predictive power of these mathematical models with little interaction effects suggests that the experimental space was controlled well. Most significantly, a stepwise scale-validation consisted of mass balance and percentage yield at multiple production scales. As the process steps are scaled (from lab to larger batch sizes) there is only a minimal (or no change in encapsulation efficiency and physicochemical stability). The findings of this research demonstrate that in optimized settings, the solvent evaporation process is a mathematically predictable and scalable platform for phospholipid embedded nanostructures to enable delivery of hydrophobic bioactive compounds.

Abstract This study investigates the adsorptive removal of sulfur compounds from heavy naphtha using phosphoric acid-activated date pit carbon (DPAC) and CuCl₂ impregnated phosphoric acid-activated date pit carbon (CuCl₂/DPAC). The adsorbent was optimized by Response Surface Methodology (RSM) using Box-Behnken Design to study the influence of temperature, contact time, and adsorbent dosage on the sulfur removal efficiency. The optimum conditions led to a maximum sulfur removal efficiency of 71% (31°C, 2.96 hr, and 0.0397 g/mL adsorbent). Kinetic studies revealed that sulfur adsorption followed the pseudo-second-order model, suggesting chemisorption as the adsorption mechanism, and equilibrium data were best fitted with the Freundlich model of adsorption isotherms based on temperature. The research confirms that low-cost biomass-based activated carbon impregnated with CuCl2 is a viable and promising adsorbent to remove sulfur compounds from heavy naphtha, which helps in producing clean fuel and protects the environment.

Abstract The design, evaluation, and metallurgical validation of a modified Venturi-type gas disperser for controlling the dispersion characteristics (bubble diameter, retained gas volume, and bubble surface area) in a laboratory flotation column are presented. The design was carried out using CFD simulations in a transient regime, evaluating different geometric and air-supply configurations. The optimal configuration corresponds to a 3:1 diameter ratio and four air inlets at 45°, which generated stable pressure drops and homogeneous dispersion. The simulated disperser was fabricated from polyamide and experimentally characterized in a water-air system under 35 operating conditions. Bubble diameters (Db) ranged from 0.63 to 2.31 mm, with retained gas fractions (εg) from 13 to 19% and bubble surface area flux (Sb) between 65 and 81 s⁻¹; these ranges are within the values typically recommended to improve particle capture and transport in column flotation. The characteristics of the simulated and experimental dispersions show similarities with differences of less than 20%. Subsequently, the disperser was evaluated in a three-phase system (water-air-mineral) for the concentration of a mineral containing 54 ppm of gold by reverse column flotation. The appropriate operating variables were established: superficial liquid velocity (Jl) of 0.0127 m/s, and superficial gas velocity (Jg) of 0.0085 m/s, achieving concentrations of up to 76 ppm Au in the tailings stream. Experimental results demonstrate that controlling Db, εg, and Sb through CFD design and experimental validation directly affects the metallurgical performance of the process, establishing a comprehensive methodology for designing dispersers for mineral applications.

Abstract The solar photovoltaic (PV) industry has been added to the decarbonisation plans for the world, but the manufacturing in its upper parts is still relatively high-carbon and difficult to quantify accurately. The present system of carbon emission allocation uses a single average emission factor or a historical intensity benchmark, thus failing to account for process and material-specific differences in reaction pathways. Application chemistry covers studies of reaction mechanisms, characterisation of new materials and high-throughput screening experiments to address the above deficiencies. Introduce a multi-scale framework in this paper to integrate molecular-level carbon tracing, process-level dynamic accounting and product-level carbon quota mapping to ensure the accuracy of carbon emission permit allocation for the solar energy industry. Three feasible policy-practice models for silicon production, photovoltaic cell fabrication and industrial chain integration have also been proposed. Based on the above analysis, it has been found that chemistry-informed carbon accounting can improve the accuracy of allocation and provide a direction for mechanism-driven design of the carbon market.

Abstract Dye-sensitized solar cells (DSSCs) were fabricated using ZnO, ZnO/TiO₂, and ZnO/NiO nanoparticles and nanocomposites prepared via the co-deposition method. The synthesized materials were employed as photoelectrodes and sensitized with two dyes, namely Brilliant Blue FCF (E133) and red cabbage extract, to investigate their influence on the photovoltaic performance of DSSCs. The structural, morphological, surface, and optical properties of the prepared materials were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), Brunauer–Emmett–Teller (BET) surface area analysis, and optical measurements. The characterization results confirmed the successful synthesis of nanostructured metal oxide materials and revealed significant differences in crystallinity, morphology, surface area, and optical behavior among the investigated samples. The photovoltaic performance of the fabricated DSSCs was evaluated from current density–voltage (J–V) measurements under an illumination intensity of 22.53 mW cm⁻². The photovoltaic parameters, including open-circuit voltage (Voc), short-circuit current density (Jsc), fill factor (FF), maximum output power (Pmax), and power conversion efficiency (η), were determined and compared. The results demonstrated that DSSCs sensitized with Brilliant Blue FCF exhibited superior photovoltaic performance compared with those sensitized with red cabbage extract. The highest photovoltaic performance was achieved for the ZnO photoelectrode sensitized with Brilliant Blue FCF dye, yielding a Voc of 0.87 V, a Jsc of 1.56 mA/cm², a fill factor of 0.6406, a maximum output power of 1.3933 mW, and a power conversion efficiency of 3.865%. The enhanced photovoltaic performance was attributed to the favorable structural and surface characteristics of the ZnO photoelectrode, including its crystallinity, morphology, and available surface area, which promoted efficient dye adsorption, light harvesting, and charge transport. These findings highlight the potential of ZnO-based photoelectrodes and appropriate dye selection for improving DSSC performance and provide valuable insights into the relationship between material properties and photovoltaic behavior.

Abstract Background: Celiac disease (CD), also known as gluten-sensitive enteropathy, is a chronic autoimmune disorder caused by gluten consumption. It causes nutritional malabsorption due to small intestinal villi inflammation and atrophy. The immune-mediated response mostly engages both innate and adaptive immune systems, resulting in a systemic disease that may impact several organs outside the gastrointestinal tract. Zonulin is a key physiological regulator of intercellular tight junctions in the gastrointestinal epithelium and plays an important role in intestinal permeability. It has attracted considerable interest because of its involvement in autoimmune diseases such as celiac disease (CeD), where dysregulation of the zonulin pathway may contribute to disease pathogenesis. Materials and methods: The research included 60 randomly chosen Celiac disease (CeD) patients (22 men and 38 women). Between April and September 2025, it was done. Patients and controls are 1-18 years old. The consultant doctors diagnosed Celiac Disease. The name, gender, age, weight, height and place of living. the patients have been obtained through a questionnaire. Participants with other diseases were excluded from the current investigation. A healthy control group consisting of 30 apparently control participants (13 males and 17 females) was included. Their ages were comparable to those of the patients. Results: A substantial increase (P≤ 0.05) in Zonulin levels was observed in celiac disease patients compared to control groups and at different age groups. There is a substantial negative connection (P≤ 0.05) between Zonulin levels (ng/ml) and BMI in Celiac disease patients. A substantial increase (P≤ 0.05) in Zonulin levels was observed in Celiac disease patients by gender. Results indicate a substantial rise (P≤ 0.05) in Zonulin levels in Celiac disease patients based on location, with a significant drop (P≤ 0.05) in rural groups compared to urban groups. Conclusion: The results showed that zonulin levels were significantly higher in female patients with celiac disease than in male patients. Overall, zonulin levels were significantly higher in patients with celiac disease than in healthy controls. These findings suggest that elevated serum zonulin levels may be associated with celiac disease and may reflect alterations in intestinal barrier permeability.

Abstract A series of novel heterocyclic derivatives were synthesized starting from sulfadiazine via Schiff base intermediates, followed by cyclization to afford five-membered heterocyclic rings including imidazolidine, thiazolidine, and tetrazole derivatives. The synthesized compounds were obtained in good to excellent yields ranging from 74.5% to 97.5%. The structures of the synthesized compounds were confirmed using FT-IR, ¹H NMR, and ¹³C NMR spectroscopy. The disappearance of the azomethine (C=N) stretching band in FT-IR spectra and the absence of the corresponding proton signal in ¹H NMR confirmed the successful cyclization of Schiff bases into the desired heterocyclic systems. Molecular docking studies against dihydropteroate synthase (DHPS) from Escherichia coli (PDB ID: 3SRW) revealed that compound H1 exhibited the lowest binding energy (−8.40 kcal/mol), indicating strong binding affinity within the active site. Interaction analysis showed hydrogen bonding along with van der Waals and hydrophobic (alkyl and π-alkyl) interactions. Compound Z3 also showed favorable binding energy (−7.68 kcal/mol) with key interactions involving amino acid residues such as SER, GLN, TRP, and LEU. Biological evaluation demonstrated that the synthesized compounds exhibited varying antibacterial activity against both Gram-negative (Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus) bacteria. The inhibition zones ranged from 10 to 28 mm, with compound H4 showing the highest activity (28 mm) compared to Pseudomonas aeruginosa, while compounds Z3, Z4, H3, and H4 exhibited significant activity against Staphylococcus aureus at higher concentration (500 mg/mL). In contrast, compounds Z1 and Z showed no detectable activity. Overall, the results indicate that structural modification of sulfadiazine through heterocyclic ring formation significantly enhances antibacterial activity and binding affinity, suggesting their potential as promising antimicrobial agents.

Abstract Water scarcity has been identified as one of the major challenges in the world today, thereby the necessity of developing simple and sustainable desalination technologies. The performance of this Modified Solar Still (MSS) using black-coated glass (kanche) marbles as sensible heat storage medium was experimentally compared with that of Conventional Solar Still (CSS) under climatic conditions of Somnath, Gujarat, India. The two identical, single-slope solar stills were operated in parallel with a basin area of 1 m². The MSS had higher water and glass cover temperatures in the basin throughout the day, which led to higher evaporation and condensation rates. The maximum distillate yield per hour for the MSS was 0.58L whereas the CSS yields 0.49L. Likewise, the amount of cumulative freshwater produced rose from 3.1 L/day in the CSS to 4.0 L/day in the MSS. The highest thermal efficiency of the MSS was 36.5% and for CSS it was 32%. The performance is enhanced due to better absorption and retention of solar energy by the black coated marbles and the MSS is a practical and economical solution for solar desalination applications, the main reason for this is attributed to the solar energy absorption and heat retention properties of kanche marbles.

Abstract Accurately predicting corrosion rates in low-alloy steels is a significant challengein materials engineering due to the intricate and nonlinear interaction between environmental exposure conditions and alloying elements. Conventional statistical corrosion models are by and large based on linear assumptions, and thereby most of them fail to capture such interactions, especially the dual and threshold-controlled behavior of Cu in forming protective rust layers. This study presents a comprehensive comparative analysis of statistical and machine learning approaches for the prediction of atmospheric corrosion rates of low-alloy steels. Several predictive models were developed and validated for this task, namely, Decision Trees, Support Vector Machines with several kernel functions, and the gradient-boosting algorithm XGBoost, by using experimentally derived environmental and compositional datasets. Model performance is assessed based on the coefficient of determination (R²), root-mean-square error (RMSE), and mean absolute error (MAE). The results demonstrate that non-linear models outperform conventional linear models of non-linear models in comparison to the conventional linear models. Among various models, the best predictive model was XGBoost with an R² value of about 0.88, validating the best ability to exploit threshold values and interactive coefficients. The conclusion is drawn from the result that copper is only effective in imparting corrosion resistance in a critical range, beyond which the protective property becomes saturated or decreases, an imperative that cannot be accounted for in the linear regression models. The obtained results strongly suggest that the corrosion process in low-alloy steels is governed by nonlinear and threshold-dependent behavior. Therefore, the paper establishes the application of gradient - boost-based machine learning algorithms as a strong and authentic method for predicting the development of corrosion models in low-alloy steels. Furthermore, the comparative assessment also emphasizes the importance of kernel-based learning approaches, such as the radial basis function kernel-based SVM, where the models also forecast well with slightly lower accuracy compared to the gradient-booster models. Additionally, the better performance of the non-linear models clearly depicts the model flexibility to cope with the Abrupt transitions of the corrosion process influenced by varying concentrations of alloys. From the scientific aspect, the obtained results demonstrating the threshold effects of the copper concentrations clearly support the formation and saturation of inner Cu-enriched rust layers. Therefore, this analysis attempt to connect the machine learning algorithm results with the scientific concepts of the corrosion process and hence establish the importance of machine learning models as a supplementary aspect to the other scientific methods used in the fields of materials science.

Abstract In this work, a spectrophotometric method is proposed for Bisphenol F (BPF) tracking in environmental water system, which is based on targeted chemical derivatization. The practical aspects of the synthesis, diazotization and controlled coupling of sulfanilic acid to BPF in alkaline media to produce the highly stable dark-red azo chromophore were successfully completed. In the lab, optimal reaction conditions were determined and the reaction conditions were maintained at 50 °C for 50 minutes to obtain a peak absorbance λmax at 431 nm. This binding ratio was confirmed by the stoichiometric testing. A high sensitivity (LOD: 0.0115 µg/mL) and an excellent linear working range (1.0-12.0 µg/mL with an R2 = 0.997) were found. The percentage recovery in the validation trial was determined to be very good (103.05%) and there was very little interference from the coeluting phenolics. This method was structurally applied to various natural systems, efficiently quantified trace BPF in wastewater, local rivers and lakes. However, for environmental water samples containing BPF at concentrations below the method’s linear working range, a suitable preconcentration step may be required to achieve reliable trace-level determination.

Abstract Solar still technology is a sustainable, low cost option for freshwater production in water scarce areas, but with limited productivity. The present short communication discusses some recent developments in improvement of the efficiency of solar stills by incorporating different thermal energy storage materials. Use of natural materials, agricultural wastes, and phase change materials (PCM) effectively store surplus thermal energy during the day to continue the distillation process at night. The technology that yielded the most fresh water (8.69 L/m 2 /day) and reduced potable water costs by 50.52% was eggshell powder, and wick-covered cement conical fins yielded 7.90 L/m2/day. Moreover, the use of agricultural wastes such as carbonized custard apple seeds increased productivity by 115.5%. The results show that the hybrid designs and low-cost natural storage media configurations are consistently superior to the traditional designs. The optimization using AI, long-term durability tests under field conditions, and scaling of hybrid thermal storage systems to further enhance the commercial viability are highlighted as future research priorities.

Abstract The growing demand for wearable electronics underscores the need for sustainable, self-sufficient power sources that can effectively convert low-level mechanical energy. This study reports the design and fabrication of a flexible, high-performance hybrid nanogenerator, which utilizes electrospun BaTiO 3 /Nylon-11 composite nanofibers to harness both piezoelectric and triboelectric effects. Embedding piezoelectric BaTiO 3  nanoparticles in a strongly tribopositive Nylon-11 matrix effectively modulates surface charge density through internally generated piezo potential, leading to a significant synergistic increase in triboelectric charge transfer. The optimized hybrid nanogenerator delivers an open-circuit voltage of about 55 V and a short-circuit current of 780 nA, corresponding to a peak power density of 28.4 µW/cm² at an optimal load resistance of 70 MΩ. As a proof of concept for practical applicability, the device instantly powers 30 commercial LEDs under repeated mechanical tapping, demonstrating its strong potential as a self‑powered platform for next‑generation wearable electronics.

Abstract This study highlights the numerical analytic authentication and chemometric organizing of multicomponent gas measurement through electrochemical sensors at trace concentration stages under difficult ecological conditions. The methodology combines calibration modeling, electrochemical sensing, and chemometric information processing to affirm consistent quantitative performance in interference-inclined measurement domains. The analytic performance of the planned system was assessed using the key figures of support which include recognition limits (LOD), precision (expressed as relative standard deviation, RSD), linearity (R 2 ), as well as selectivity. The paradigm showed low detection limitations within the range of about demonstrated 0.002-0.010 ppm and satisfactory precision of around (RSD: 2.3-6.8%), which indicates consistent analytic response appropriate for trace-level and quantification. Calibration results showed potent linearity (R 2  ≥ 0.993), to confirm the approaches capacity for precise quantification examination. The system sustained a steady analytic function to demonstrate robustness of complex measurement situation. Chemomteric analysis utilizing Principal Component Analysis (PCA) improved data interpretation and supported analytic selectivity to enable isolation between combustion-inclined gasses (NO 2 , H 2 S, CO) and dust-linked atmospheric elements (SO 2 , CO 2 , dustfall) within a multicomponent matrix. Comparative assessment with recognised analytic procedures reporte3d in the previous study provides a sort of comparable accuracy, although with moderation it will offer an advantageous practical field application. Based on the assessed figures of advantage, the projected analytic model can be seen as a fit-for-purpose approach for reliable multicomponent gas resolve at trace concentration stages.

Abstract In this work, the synthesis, characterisation and preparation of several new Mn(II), Co(II), Ni(II) and Cd(II) complexes with Schiff base ligands prepared from 4-hydroxycoumarin, The ligands and their respective metal complexes were synthesised in 1:1:1 metal to ligand molar ratio and characterised by elemental analysis, Fourier-transform infrared spectroscopy (FT-IR), UV–Visible spectroscopy, molar conductivity measurements, magnetic susceptibility studies and atomic absorption spectroscopy. In addition, theoretical calculations were carried out using GaussView05/Gaussian09 software with the semi-empirical PM6 method to support the experimental findings. FT-IR spectral analysis revealed that the coumarin-based Schiff base ligand acts as a bidentate chelating agent through the azomethine nitrogen (C=N) and the carboxylate oxygen (COO⁻) atoms, resulting in the formation of stable five-membered chelate rings with the metal ions. S hifting of N–H and C=N vibrational bands suggested the involvement of amine and imine nitrogen atoms in the coordination of the metal, and supported the complexation of metformin. The electronic spectra and magnetic moment data were in support of the proposed coordination geometries around the metal centres. Molar conductivity measurements in DMSO indicate that most the complexes behave as electrolytes. The theoretical results were in good agreement with the experimental data, providing deeper insight into the electronic structure and stability of the synthesized complexes. In conclusion the results proved the efficiency of coumarone, and metformin based Schiff base ligands in the field of coordination chemistry and suggested that their divalent metal complexes may be promising in future applications in the field of chemical and materials sciences.

Abstract Chitosan (CS) hydrogel beads were prepared by dropwise precipitation and surface-modified with three anionic surfactants—sodium dodecyl sulfonate (SDOS), sodium dodecyl sulfate (SDS), and sodium dodecylbenzene sulfonate (SDBS)—to improve methylene blue (MB) removal from water. FTIR and FE-SEM provided qualitative evidence of surface modification and increased surface roughness while indicating retention of the principal chitosan framework. The modified beads exhibited low BET surface areas (7.48–9.63 m² g⁻¹), and the surface-area order did not correspond to MB uptake, suggesting that surface chemistry and the accessibility of surfactant-derived anionic sites were more important than physical area alone. Triplicate batch experiments identified an optimum surfactant modification concentration of 3.0 g L⁻¹ and an optimum solution pH of 6. Adsorption performance followed the order CS/SDOS > CS/SDS > CS/SDBS, with the highest experimentally achieved capacities of 418.60, 390.80, and 275.00 mg g⁻¹, respectively. Equilibrium was reached after approximately 240, 360, and 480 min, respectively. The pseudo-second-order model provided the best statistical description of the kinetic data (R² ≥ 0.995), whereas the Sips model best represented the equilibrium data, indicating greater energetic heterogeneity for CS/SDOS and CS/SDS and near-Langmuir behavior for CS/SDBS. For CS/SDOS, MB removal decreased from approximately 95% for the fresh adsorbent to 52% after the first regeneration and 21% after the fifth regeneration with 0.1 M HCl, demonstrating limited reusability under the tested conditions. Future work should quantify surfactant loading and surface charge and evaluate milder regeneration media to improve adsorbent stability.

Abstract Precision agriculture is an important application scenario for chemical engineering to carry out the clean production and sustainable resource use. In this paper, we propose an explainable data-centric ensemble machine learning framework for the optimization of agrochemical (fertilizer and pesticide) inputs based on utilizing their input efficiency and reducing environmental pollution based on chemical engineering aspects. We utilize the multiple source agricultural data (soil N, P, K, pH, temperature, humidity and rainfall) to make it possible for the precise application and site-specific planting adaptation of agrochemicals. Integrating three models including Logistic Regression, Support Vector Machine, Decision Tree, we utilize the Voting Classifier and Stochastic Gradient Boosting (SGB) to implement the classification. Together with controlled noise addition and cross validation that utilize data-centric methods, the Voting Classifier performs the best accuracy 90.7% with perfect score balance between precision, recall and F1-score. SHAPley Additive ExPlanations (SHAP) and permutation feature importance methods are adopted for model interpretation and illustrate the dominant features are rainfall, humidity and nitrogen that are consistent with agricultural chemical transport and nutrient conversion process. The framework can be further used for VRT systems to realize automated and quantitative inputs and reduce input of fertilizer and pesticides; soil and water pollution is limited, resource use efficiency is high. A generalized, interpretable and engineering-practical framework is proposed which is important for the chemical engineering application of clean production in precision agriculture.

Abstract Strontium titanate (SrTiO3) is a wide-band-gap (~3.2 eV) perovskite oxide semiconductor with a high dielectric constant and excellent thermal and chemical stability, properties that have made it attractive for photocatalysis, photovoltaics, sensors, and electronic devices. Its large band gap, however, restricts light absorption to the ultraviolet region and limits its efficiency in visible-light-driven applications. Doping with transition metals is a widely used strategy to narrow the band gap of SrTiO3 and extend its optical response into the visible range. In this work, the structural, electronic, mechanical, and optical properties of 7% Cu-doped SrTiO3 (SrTi0.93Cu0.07O3) were investigated using first-principles density functional theory (DFT) calculations performed with the CASTEP module of BIOVIA Materials Studio. A 3×3×3 supercell containing 135 atoms was constructed, and a single Ti atom was substituted with Cu to obtain a doping concentration of ~7.4%, close to the targeted 7%. Calculations were carried out primarily with the GGA–PBE and GGA–RPBE exchange correlation functionals, with additional functionals (GGA-PW91, GGA-WC, and LDA) used to benchmark band-gap predictions. The results show that Cu substitution introduces localized Cu 3d states near the valence band maximum, narrowing the band gap of pristine SrTiO3 (~3.2 eV) to below 2 eV in the doped system, while producing a slight expansion of the lattice parameters consistent with the larger ionic radius of Cu2+ relative to Ti4+. The narrowed gap is accompanied by a red shift of the optical absorption edge into the visible region, an increase in the static dielectric constant and refractive index, and enhanced optical conductivity in the visible range. Elastic-constant calculations further indicate that the doped structure remains mechanically stable under the Born–Huang criteria, with moderate directional anisotropy in its elastic response. These results indicate that 7% Cu doping is an effective route for enhancing the visible-light-harvesting and charge-transport properties of SrTiO3, supporting its potential use in photocatalytic and photovoltaic applications.

Abstract This study investigated a novel real-time thermodynamic diagnostic approach via current-interruption during active EC for track of the open circuit potential (OCP) during short current interruptions over the course of the experiment throughout the performance of a batch electrocoagulation reactor (BER) that using aluminum (Al)-iron (Fe) electrodes for the treatment of simulated wastewater containing a mixture of cation and anion dyes. The study considered various factors, including pH (2–10), current (0.6–1.4 A), concentration of dyes mixture (100–500 ppm), and electrolysis time (4–90 min). Surface response design process based on the central composite design (RSM-CCD) has been used to design the experiments and optimize the present operational parameters. The COD reduction, electrode consumption, open circuit potential (OCP), and energy consumption were predicted under the mentioned conditions with the aid of the analysis of variance (ANOVA). The optimization process was conducted to categorize the optimal conditions required to achieve the highest reduction of COD and minimum real consumption of energy and the anode electrode. The highest predicted reduction of COD of 94.57% vs. real removal of 88.9% under minimum consumption of energy and the anode electrode were obtained at the optimal conditions of 0.6 A, pH=7.98, 4 min, and the highest initial COD of 4236.7 ppm. XRD, FESEM, and FTIR tests were used for anode characterization. The main conclusion revealed that the finding of treating of wastewater that contains different types of dyes that could affect the performance of the electrocoagulation process. Also, the use of current-interruption during active EC to insight the thermodynamic oxidation ability of the anode reflects a complex interaction between the studied variables and response of the OCP of the anode during operation of EC.

Abstract This study focuses on the fabrication of advanced nanocomposite films based on polyvinyl alcohol (PVA), reinforced with bismuth oxide (Bi 2 O 3 )/copper oxide (CuO) nanoparticles at total filler loadings of 1, 2, 3, and 4 wt.% relative to the PVA matrix, using a controlled solution casting technique. This method makes sure that the nanoparticles are spread out equally throughout the polymer matrix. This makes the material stronger and better at blocking gamma radiation. It is also light, flexible, and beneficial for the environment. Visual microscopy and field emission scanning electron microscopy ‎investigations exhibited substantial consistency in nanoparticle dispersion, indicating the absence of large agglomerations. Fourier-transform infrared spectroscopy (FTIR) further substantiated the notable physical interactions between the nanoparticles and the PVA polymer molecules. X-ray diffraction (XRD) studies demonstrated that both Bi 2 O 3  and CuO existed in their pure phases. The PVA films, on the other hand, remained semi-crystalline, which meant that the nanoparticles had been successfully incorporated to the structure. Optical tests showed that the absorbance went up a lot, reaching 93.73%. The transmittance dropped to 79.03% at a wavelength of 300 nm. The prohibited energy gap shrank from ‎‎3.9 eV to 2.0 eV, and the optical energy gap shrank from 4.0 eV to 2.7 eV. The nanoparticles' ability to generate concentrated energy levels inside the energy gap is responsible for this change. The (N/N₀) ratio for protecting against radiation dropped from 0.975 for pure polymer to 0.835 for a 40% weight concentration. This suggests that the radiation protection only worked about 17.81% of the time. The results show that the (PVA/ Bi 2 O 3 -CuO) composites work well to improve optics and block gamma radiation. This means that they can be utilized for many things, including as medicine, optics, and flexible shielding. They are also safer and better for the environment than items that contain lead.‎

Abstract The vinylation of cyanuric acid derivatives with acetylene provides an industrially useful method for making trivinyl-substituted heterocyclic compounds; however, there has been little process-level research on this reaction system in the open literature. Therefore, this work fills that knowledge gap by evaluating the vinylation process through a combined stoichiometric, thermodynamic, and Phase Equilibrium investigation using the Aspen Plus steady-state model. The process consists of three sub-phases: (i) A feed mixing stage, (ii) an RSTOIC reactor running continuously at 90 °C and 1.52 bar, and (iii) a downstream flash separation unit. The Non-Random Two-Liquid (NRTL) activity coefficient model and the ideal gas assumption were used to capture liquid-phase non-ideal behaviour and vapour-liquid equilibrium. All thermophysical properties of the target trivinyl product (C 9 H 9 N 3 O 3 ) were estimated using the group contribution method, yielding an average error of no more than 1.73%, confirming that the model is appropriate and reliable for engineering-scale applications. The suggested processing layout exhibits very good conversion capability, conforms to the laws of thermodynamics, and is grounded in an accurate theoretical framework to support an initial process design. This work is intended as a preliminary, equilibrium-based screening framework rather than a kinetically validated design tool; it provides a reliable simulation basis for reactions in this class and, as such, offers a quantitative foundation for future research. Future work should include a thorough kinetic model and experimental confirmation to evaluate industrial scale-up potential rigorously.

Abstract This study investigates improving photovoltaic cell efficiency by developing luminescent solar concentrators (LSCs) based on an organic Congo red dye embedded in a polyvinyl alcohol (PVA) polymer matrix. Thin films were prepared with varying weight percentages of the dye, with the addition of fixed proportions of nanoparticles (SiO 2 , MgO, TiO 2 ) to enhance the optical and electrical properties. Optical characterization results (UV-Vis and fluorescence) showed a steady increase in absorption and fluorescence emission intensity at a fixed wavelength (625 nm) with increasing dye and nanoparticle concentrations. Electrical measurements revealed a significant improvement in solar cell parameters, indicated by a reduction in the energy gap (Eg).  Films doped with titanium dioxide (TiO 2 ) particles achieved the highest efficiency at 4.8%, followed by films doped with magnesium oxide (MgO) at 4.5%, and then films doped with silicon dioxide (SiO 2 ) at 3.8%, compared to 3.5% for the pure dye. These results demonstrate that incorporating nano-enhancers, particularly titanium dioxide, represents a promising strategy for improving the performance of solar photovoltaic concentrators and advancing renewable energy applications.

Abstract Sensitive solvent extraction method with Cloud point Extraction method used for determination of Zinc (II) by organic reagent N-(5,6-dimethoxypyrim-idin-4-yl)-4-((4,5-diphenyl-1H-imidazol-2-yl)diazenyl)benzenesulfonamide and studies ion pair association complex for (NDPDBS) and Zinc2+ in acidic HCl medium shows the wave length of maximum absorbens was λmax=294nm , all studies about optimum condition for giving higher extraction method where, PH=9 as optimum in presence 50 µg Zn2+ in 10 mL aqueous solution, 0.5 mL surfactant Triton X- 100 , and heating temperature at 90 C ̊ For 15 min , 1×10-4 M (NDPDBS), The stoichiometry show up the composition of ion pair association complex extracted was 1:1 , and addition to other studies such as effect of interferences, electrolyte and else , Statistical values were also recorded for LOD = 0.13904674 ppm ,LOQ = 0.42135377 ppm and Sandell’s sensitivity (2.33×10-3 μg/cm2) .

Abstract 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.

Abstract Gracilaria folifera-mediated MgO-ZnO nanocomposite (GF-MgO-ZnO NC) was synthesized through a green approach utilizing G. folifera extract as a reducing, stabilizing, and biofunctionalizing agent. The structural, optical, photocatalytic, and anticancer properties of the synthesized nanocomposite were systematically investigated. X-ray diffraction analysis confirmed the coexistence of crystalline MgO and ZnO phases, indicating the successful formation of a mixed-oxide nanocomposite with good crystallinity. UV-Visible spectroscopy revealed broad absorption in the UV region and an optical band gap of 4.88 eV, suggesting electronic interactions between the MgO and ZnO components. The photocatalytic performance of GF-MgO-ZnO NC demonstrated effective degradation of methyl orange dye under UV irradiation, which may be associated with improved charge separation within the MgO-ZnO nanocomposite. The anticancer activity evaluated against HT29 colorectal cancer cells using the MTT assay exhibited a concentration-dependent reduction in cell viability, with an IC₅₀ value of 93.23 μg/mL. The observed cytotoxicity may be associated with the synergistic effects of the MgO-ZnO nanocomposite and residual phytochemical species derived from G. folifera; however, the underlying molecular mechanisms were not directly investigated in the present study. These findings demonstrate that the green-synthesized GF-MgO-ZnO NC exhibits moderate photocatalytic activity and concentration-dependent cytotoxicity against HT29 colorectal cancer cells, warranting further investigation for environmental remediation and biomedical applications.

Abstract Chronic pharmacotherapy modifies a human requirement for essential and toxic trace elements. Chronic use of drugs may interfere with absorption, metabolism or excretion of trace elements, resulting in deficit or gradual poisoning. These disturbances may result in oxidative stress, immunosuppression and heightened toxicological risk. As a first approach, serum and urine both from chronic medicated patients were studied versus healthy controls. The key minerals Fe, Zn, Cu and Se and toxic metals Pb, Cd, As and Hg were determined by validated AAS. To attenuate confounding bias, smokers, subjects with occupational exposure to metal and mineral supplementation were excluded. The levels of this latter element decreased significantly more than Fe, Zn and Cu did, the serum values for which they remained stable. Higher concentrations of Pb and Cd were indicated in serum and urine, however. We have found a relationship between the duration of medication use and the levels of toxic metals that seems to demonstrate an accumulated exposure over time. The present results suggest that periodic determination of selected trace elements in patients with extensive medication histories may enable detection of hidden toxicological hazards and contribute to the design of safer, more effective long-term therapeutic programs.

Abstract Plant-derived colorants can combine textile coloration with bioactive finishing, but controlled comparisons among chemically distinct plant extracts on a common substrate remain limited. This study compared extracts from Lycium ruthenicum fruit, Broussonetia papyrifera fruit, and Rhodiola rosea root on a standardized plain-woven cotton substrate. Source-specific aqueous-ethanol extraction was followed by dyeing at an equal dry-extract concentration, and dyed fabrics were fixed with FeSO₄ for colour, fastness, and functional evaluation. Colour properties, washing/rubbing/light/perspiration fastness, ultraviolet protection factor (UPF), fabric antioxidant activity, and antibacterial activity against Staphylococcus aureus and Escherichia coli were evaluated. L. ruthenicum produced the deepest red-purple shade and the highest FeSO₄-assisted colour strength (K/S = 6.8), followed by B. papyrifera (4.6) and R. rosea(3.7). Under the common FeSO₄ fixation condition, the three extracts produced distinct colour and functional profiles, with L. ruthenicum showing the strongest overall performance. The antibacterial and antioxidant values represent the net response of the complete FeSO₄-fixed extract–cotton systems because separate extract-only and fixative-only controls were not included. These results support the potential of the tested plant sources for multifunctional cotton treatment while limiting the conclusions to the evaluated fixation route and initial performance conditions.

Abstract B3LYP hybrid functional DFT was used with 6-31G basis sets for calculating the ground state properties of anthracene and its derivatives. The optimized structures were obtained from the used method after only two steps of optimization. The LUMO-HOMO gap for the reference anthracene was reduced 0.91 eV by adding di-amine and thiophene and construct structure 3. The new suggested structures based on anthracene are more electronic softness and less hard compared with anthracene. High electronic softness means the structure more reactive in which the softness is willingness to accept electrons. Structure 3 has high degeneracy of molecular orbital in comparison with the others. The new suggested structures offer an advantage in charge transfer compared to anthracene. The map of electrostatic potential and total charge density showed the active areas of high negativity are localized in sulfur in thiophene and di-amine and this give these structures high activity to interact with other species. UV-Vis spectrum showed direct transition from valence band to conduction band, this makes these structures ideal systems for use in optical devices, such as, photodetector, solar cell, and light emitted diode LED and laser diode, and indirect transition with different values of probability depending on the wave length of each spectrum and this make the structures can be used for many application, such as, transistors, rectifiers and filters as optical applications.

Abstract In the rainy season and fall, the spaces where there is no sunlight experienced the growth of white fungus (molds) which spread on surfaces of wooden furniture and other places. Like other molds, this is again harmful for health. This may cause respiratory disease, allergies, headaches and dizziness. The prevention of growth of molds is possible by adsorption of excess moisture in those places. This could be achieved by desiccant silica gel, calcium chloride and charcoal. This Research work is evaluating the performance of dehumidification by above desiccants. The obtained Humidity ration over the period of 50 days for desiccants silica gel, calcium chloride and charcoal were 38±5, 41±5 and 46±5. Efficiency over the period of 50 days for desiccants silica gel, calcium chloride and charcoal were 50±4, 47±4 and 40±4.The Adsorbent silica gel was best adsorbent amongst desiccants silica gel, calcium chloride and charcoal. Inverse modified Gompertz equation (IMGE) is taking the inverse of predicted values obtained from above equations. The IMGE approach is used to simulate the retardation of growth of Molds. Experimental values are consistent with the predicted values by IMGE. In the future, the thermal effect on growth of white fungus could be studied and simulated.

Abstract For potential therapeutic uses against resistant microbial strains, this study aims to synthesize, characterize, and evaluate new (H1-H4) eugenol (2-methoxy-4-prop-2-enylphenol, 4-Allyl-2-methoxyphenol compounds, eugenol / phthalic anhydride) functionalized with medications like paracetamol, sulfamethoxazole, and phenylephrine. Due to growing antimicrobial resistance, synthesis and analytical characterization of medicinal molecules from natural sources, such as eugenol, must continue. Methodology: For antifungal and antibacterial purposes, the compounds (H2-H4) were docked against the enzymes dihydrofolate reductase and UDP-N-acetylenolpyruvoylglucosamine reductase. The GOLD program was used to retrieve crystal structures and carry out docking. Discovery Studio Visualizer was used to study complex protein-ligand interactions. After six hours of reflux, compound H1 emerged as a reddish-brown gelatinous solid due to the interaction between phthalic anhydride and eugenol. It was necessary to activate many grams of the material H1 by treating it with the reagent SOCl₂ until the intermediate H2 was generated. H2, phenylephrine, sulfamethoxazole, and paracetamol reacted to produce H3, H4, and H5. The physical properties of the synthesized compounds, such as color and melting point ranges of 147–210°C and yield between 70% and 70%, were evaluated by laboratory researchers. The spectroscopic tests corroborated the compounds' characteristics and their medicinal potential, while a structural analysis verified the successful synthesis of the compounds. Results: Compound H3 formed several hydrophobic and hydrogen interactions and had a high PLP fitness score to both DHFR and UDP-N-acetylenolpyruvoylglucosamine reductase (104.14 and 92.32, respectively). With the two enzymes, H2 likewise had a high PLP fitness score. The laboratory procedure effectively yielded pure chemicals H1, H2, H3, H4, and H5, according to structural confirmation using FTIR and ¹H-NMR measurements. Functional group bond vibrations through O-H, N-H, aromatic C-H, aliphatic C-H, ester C=O, amide C=O, and aromatic C=C bonds were demonstrated using FTIR spectroscopy. The accuracy of the experiments was confirmed by a number of structural integrity tests that were checked using ¹H-NMR spectroscopy. These compounds exhibited moderate to considerable antibacterial and antifungal activity against the infection-causing organisms Candida albicans, Escherichia coli, and Staphylococcus aureus, according to biological testing. Conclusion: Eugenol and phthalic anhydride were used in the research study to create novel chemicals that were integrated with pharmaceuticals like sulfamethoxazole and paracetamol. Compound H26, which has the highest binding affinity, is the main inhibitor of the DHFR and MurB enzymes. The proper structure and purity were verified by FTIR and 1H-NMR spectroscopy. Sulfamethoxazole and phenylephrine architectures improved the compounds' antibacterial and antifungal activities against pathogenic microorganisms.

Abstract Plant essential oils possess valuable antibacterial and antioxidant properties, but their high volatility and chemical instability severely limit their direct use in functional materials. In this study, Forsythia suspensa essential oil was successfully encapsulated within a gelatin wall material by complex coacervation, with sodium hexa-metaphosphate as a coacervation promoter and transglutaminase as a green crosslinking agent. The influence of the core-to-wall ratio, coacervation temperature, pH and stirring speed on the encapsulation efficiency was first evaluated through single-factor experiments, after which a three-factor, three-level Box–Behnken design was employed to optimize the dominant variables. A reduced hierarchical quadratic model was statistically significant (p = 0.0084; R² = 0.7724; adjusted R² = 0.6359), with the response governed primarily by significant quadratic curvature in all three variables; the individual linear effects were not statistically significant and were therefore not ranked. Under the optimised conditions of a core-to-wall ratio of 1:1.1, a temperature of 39 °C and a pH of 4.69, a predicted encapsulation efficiency of 97.52% was obtained. The resulting microcapsules displayed a particle size distribution of 0.25–10 µm (D90 = 4.76 µm) and a zeta potential of −32.25 mV, indicating appreciable electrostatic repulsion. SEM and AFM analyses revealed predominantly rounded micron-scale particles with smooth continuous surfaces (mean diameter 2.38 µm; RMS roughness 1.245 nm). Microcapsules displayed clear sustained-release behaviour and were successfully deposited onto cotton and linen textiles by a pad–dry–cure process.

Abstract The rapid integration of engineered nanomaterials into paints and coatings has substantially improved product performance. However, this technological advancement introduces significant and incompletely characterized occupational health risks for workers in this industry engaged with nanomaterial synthesis, formulation, spray application, sanding, and maintenance operations. This review critically evaluates the occupational health risks associated with nanomaterial exposure in the paints and coatings industry, their exposure pathways, adverse health effects, and the current state of risk assessment frameworks. Inhalation is identified as the dominant occupational exposure route, with spray application and powder handling generating the highest near-field airborne nanoparticle concentrations, in some cases exceeding recommended occupational exposure limits, and dermal contact represents a secondary pathway. The state of exposure risk assessment in the industry and comparison of the existing frameworks reveal no validation against empirical exposure data from the paints and coatings environment, the absence of harmonized occupational exposure limits for most engineered nanomaterials, and the persistent inconsistencies across the control banding tools most widely used in practice. This review identifies three priority research directions for the field: 1. Establishing health-based occupational exposure limits for the nanomaterials most commonly used in coatings, 2. Resolving the aerosol metric debate to enable cross-study comparability of exposure data, and 3. Developing and validating quantitative risk models specifically calibrated to the aerosol dynamics and mixture exposure conditions of industrial coating operations.

Abstract 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.