Search Results (2,244)

Biocatalysis is one of the oldest fields that has been used in industrial applications, with one of the earliest purposeful examples being the mass production of acetic acid from an immobilized Acinetobacter strain in the year 1815. Efficiency, specificity, reduced reaction times, lower overall costs, and environmental friendliness are some advantages biocatalysis has over conventional chemical synthesis, which has made biocatalysis increasingly used in industry. We highlight three necessary fields that are fundamental to advancing industrial biocatalysis, including biocatalyst engineering, solvent engineering, and mechanistic engineering. However, the fundamental mechanism of enzyme function is often overlooked or given less attention, which can limit the engineering process. In this review, we describe how mechanistic enzymology benefits industrial biocatalysis by elucidating key fundamental principles, including the k_cat and k_cat/K_m parameters. Mechanistic enzymology presents a unique field that provides in-depth insights into the molecular mechanisms of enzyme activity and includes areas such as reaction kinetics, catalytic mechanisms, structural analysis, substrate specificity, and protein dynamics. In line with the objective of protein engineering to optimize enzyme activity, we summarize a range of strategies reported in the literature aimed at improving the product release rate, the chemical step of catalysis, and the overall catalytic efficiency of enzymes. Further into this review, we delineate kinetic solvent viscosity effects (KSVEs) as a very efficient, cost-effective, and easy-to-perform method to probe different aspects of enzyme reaction mechanisms, including diffusion-dependent kinetic steps and rate-limiting steps. KSVEs are cost-effective because simple kinetic enzyme assays, such as the Michaelis–Menten kinetic approach, can be combined with them without the need for specialized and costly equipment. Other techniques in protein engineering and genetic engineering are also covered in this review. Additionally, we provide information on solvent systems in enzymatic reactions, details on immobilized biocatalysts, and common misconceptions that misguide enzyme design and optimization processes. Full article

The diffusion coefficient (DC) of CO₂ in brine is a key parameter in geological carbon sequestration and CO₂-Enhanced Oil Recovery (EOR), as it governs mass transfer efficiency and storage capacity. This study employs three machine learning (ML) models—Random Forest (RF), Gradient Boost Regressor (GBR), and Extreme Gradient Boosting (XGBoost)—to predict DC based on pressure, temperature, and salinity. The dataset, comprising 176 data points, spans pressures from 0.10 to 30.00 MPa, temperatures from 286.15 to 398.00 K, salinities from 0.00 to 6.76 mol/L, and DC values from 0.13 to 4.50 × 10⁻⁹ m²/s. The data was split into 80% for training and 20% for testing to ensure reliable model evaluation. Model performance was assessed using R², RMSE, and MAE. The RF model demonstrated the best performance, with an R² of 0.95, an RMSE of 0.03, and an MAE of 0.11 on the test set, indicating high predictive accuracy and generalization capability. In comparison, GBR achieved an R² of 0.925, and XGBoost achieved an R² of 0.91 on the test set. Feature importance analysis consistently identified temperature as the most influential factor, followed by salinity and pressure. This study highlights the potential of ML models for predicting CO₂ diffusion in brine, providing a robust, data-driven framework for optimizing CO₂-EOR processes and carbon storage strategies. The findings underscore the critical role of temperature in diffusion behavior, offering valuable insights for future modeling and operational applications. Full article

This paper explores the impact of applying a powder additive in the form of halloysite and mullite on the thermal protection properties of a composite. The authors used CES R70 epoxy resin with CES H72 hardener, modified by varying the amount of powder additive. The composite samples were exposed to a mixture of combustible gases at a temperature of approximately 1000 °C. The primary parameters analyzed during this study were the temperature on the rear surface of the sample and the ablative mass loss of the tested material. The temperature increase on the rear surface of the sample, which was exposed to the hot stream of flammable gases, was measured for 120 s. Another key parameter considered in the data analysis was the ablative mass loss. The charred layer of the sample played a crucial role in this process, as it helped block oxygen diffusion from the boundary layer of the original material. This charred layer absorbed thermal energy until it reached a temperature at which it either oxidized or was mechanically removed due to the erosive effects of the heating factor. The incorporation of mullite reduced the rear surface temperature from 58.9 °C to 49.2 °C, and for halloysite, it was reduced the rear surface temperature to 49.8 °C. The ablative weight loss dropped from 57% to 18.9% for mullite and to 39.9% for halloysite. The speed of mass ablation was reduced from 77.9 mg/s to 25.2 mg/s (mullite) and 52.4 mg/s (halloysite), while the layer thickness loss decreased from 7.4 mm to 2.8 mm (mullite) and 4.4 mm (halloysite). This research is innovative in its use of halloysite and mullite as functional additives to enhance the ablative resistance of polymer composites under extreme thermal conditions. This novel approach not only contributes to a deeper understanding of composite behavior at high temperatures but also opens up new avenues for the development of advanced thermal protection systems. Potential applications of these materials include aerospace structures, fire-resistant components, and protective coatings in environments exposed to intense heat and flame. Full article

This study examines the use of a mass-abatement scalable system with managed aquifer recharge (MAR-MASS) as a sustainable solution for restoring salinized aquifers and improving water quality by removing dissolved salts. It offers a practical remediation approach for aquifers affected by salinization in coastal regions, agricultural areas, and contaminated sites, where variable-density flow poses a challenge. Numerical simulations assessed hydrogeological properties such as hydraulic conductivity, anisotropy, specific yield, mechanical dispersion, and molecular diffusion. A conceptual model integrated hydraulic conditions with spatial and temporal discretization using the FLOPY API for MODFLOW 6 and the IFM API for FEFLOW 10. Python algorithms were run within the high-performance computing (HPC) server, executing simulations in parallel to efficiently process a large number of scenarios, including both preprocessing input data and post-processing results. The study simulated 6950 scenarios, each modeling flow and transport processes over 3000 days of method implementation and focusing on mass extraction efficiency under different initial salinity conditions (3.5 to 35 kg/m³). The results show that the MAR-MASS effectively removed salts from aquifers, with higher hydraulic conductivity prolonging mass removal efficiency. Of the scenarios, 88% achieved potability (0.5 kg/m³) in under five years; among these, 79% achieved potability within two years, and 92% of cases with initial concentrations of 3.5–17.5 kg/m³ reached potability within 480 days. This study advances scientific knowledge by providing a robust model for optimizing managed aquifer recharge, with practical applications in rehabilitating salinized aquifers and improving water quality. Future research may explore MAR-MASS adaptation for diverse hydrogeological contexts and its long-term performance. Full article

Ultrahigh resolution fine particulate matter (PM_2.5) mass concentration remote sensing products are crucial for atmospheric environmental monitoring, pollution source verification, health exposure risk assessment, and other fine-scale applications in urban environments. This study developed an ultrahigh resolution retrieval algorithm to estimate 30 m resolution PM_2.5 mass concentrations over urban areas from Landsat-8 and Sentinel-2A/B satellite measurements. The algorithm utilized aerosol optical depth (AOD) products retrieved from the Landsat-8 OLI and Sentinel-2 MSI measurements from 2017 to 2020, combined with multi-source auxiliary data to establish a PM_2.5-AOD relationship model across China. The results showed an overall high coefficient of determination (R²) of 0.82 and 0.76 for the model training accuracy based on samples and stations, respectively. The model prediction accuracy in Beijing and Wuhan reached R² values of 0.86 and 0.85. Applications in both cities demonstrated that ultrahigh resolution PM_2.5 has significant advantages in resolving fine-scale spatial patterns of urban air pollution and pinpointing pollution hotspots. Furthermore, an analysis of point source pollution at a typical heavy pollution emission enterprise confirmed that ultrahigh spatial resolution PM_2.5 can accurately identify the diffusion trend of point source pollution, providing fundamental data support for refined monitoring of urban air pollution and air pollution prevention and control. Full article

A mass abatement scalable system through managed aquifer recharge (MAR-MASS) improves mass extraction from groundwater with a variable-density flow. This method is superior to conventional injection systems because it promotes uniform mass displacement, reduces density gradients, and increases mass extraction efficiency over time. Simulations of various scenarios involving hydrogeologic variables, including hydraulic conductivity, vertical anisotropy, specific yield, mechanical dispersion, molecular diffusion, and mass concentration in aquifers, have identified critical variables and parameters influencing mass transport interactions to optimize the system. MAR-MASS is adaptable across hydrogeologic conditions in aquifers that are 25–75 m thick, comprising unconsolidated materials with hydraulic conductivities between 5 and 100 m/d. It is effective in scenarios near coastal areas or in aquifers with variable-density flows within the continent, with mass concentrations of salts or solutes ranging from 3.5 to 35 kg/m³. This system employs a modular approach that offers scalable and adaptable solutions for mass extraction at specific locations. The integration of programming tools, such as Python 3.13.2, along with technological strategies utilizing parallelization techniques and high-performance computing, has facilitated the development and validation of MAR-MASS in mass extraction with remarkable efficiency. This study confirmed the utility of these tools for performing calculations, analyzing information, and managing databases in hydrogeologic models. Combining these technologies is critical for achieving precise and efficient results that would not be achievable without them, emphasizing the importance of an advanced technological approach in high-level hydrogeologic research. By enhancing groundwater quality within a comparatively short time frame, expanding freshwater availability, and supporting sustainable aquifer recharge practices, MAR-MASS is essential for improving water resource management. Full article

Abdominal fat necrosis is a dystrophic–necrotic process that is relatively common in dairy cows. It is determined by productive strain (excess fat in the diet), negative energy balance after calving, a lack of physical activity, vitamin E and selenium deficiency, etc. Lipomatous masses are predominantly located in the omentum and mesentery in cattle, potentially causing intestinal obstruction. We report on an outbreak of abdominal fat necrosis that affected 135 of 220 cows and heifers (61.36%); this involved massive fat accumulation in the uterine and salpingian ligaments and severe reproductive disorders (reducing fertility to 20% in cows and 10% in heifers) caused by a hyperenergetic diet (supplementation with saturated fats). A transrectal ultrasound examination of the genital apparatus—both in heifers and in cows in the puerperium—revealed a diffuse pathological hyperechogenicity of the cervical folds, suggesting lipid infiltration, proliferation of the endocervical folds and hyperechogenic lipogranulomas located paracervically or in the uterine ligaments. An ultrasound examination of the ovaries showed the presence of parasalpingial lipogranulomas on the mesovarium, with a uniformly pixelated greasy appearance, that altered the topography of the salpinx, leading to the impossibility of oocyte retrieval. At the histopathological examination, in addition to the necrosis of adipocytes and the subacute–chronic inflammation of the abdominal and retroperitoneal adipose tissue, lipid infiltration of the uterine walls was also observed in the uterine ligaments and lymph nodes. Additionally, lipid infiltration was observed in the wall of the uterine artery. All muscular-type branches of the ovarian artery exhibited subendothelial (subintimal) amyloid deposits, severely reducing their lumen and leading to ischaemia. Amyloidosis was secondary to the systemic inflammatory process triggered by lipid deposition and necrosis. Fertility returned to normal 45–60 days after the exclusion of fat supplements from the diet and their replacement with a vitamin–mineral supplement rich in antioxidants. Full article

Co-firing large-sized straw biomass in pulverized coal boilers is a potential pathway for carbon emission reduction in China’s thermal power plants. However, experimental data on large-sized straw combustion under pulverized coal boiler combustion conditions are critically lacking. This study selected typical large-sized wheat straw particles. Employing a two-mode experimental setup in a drop tube furnace (DTF) system simulating pulverized coal boiler conditions, we systematically investigated the combustion behavior and alkali metal release characteristics of this large-sized straw biomass, with combustion processes summarized for diverse particle types. The findings reveal asynchronous combustion progression across particle surfaces due to heterogeneous mass transfer and gas diffusion; unique behaviors distinct from denser woody biomass, including bending deformation, fiber branching, and fragmentation, occur; significant and morphology-specific deformations occur during devolatilization; fragmentation universally produces particles of varied shapes (needle-like, flaky, blocky, semi-tubular) during char combustion; and potassium release exceeds 35% after complete devolatilization and surpasses 50% at a burnout degree exceeding 80%. This work provides essential experimental data on the fundamental combustion characteristics and alkali metal release of large-sized wheat straw particles under pulverized coal boiler combustion conditions, offering engineering application guidance for the direct co-firing of large-sized flexible straw biomass in pulverized coal boilers. Full article

The resistance distance is a squared Euclidean metric on the vertices of a graph derived from the consideration of a graph as an electrical circuit. Its connection with the commute time of a random walker on the graph has made it particularly appealing for the analysis of networks. Here, we prove that the resistance distance is given by a difference of “mass concentrations” obtained at the vertices of a graph by a diffusive process. The nature of this diffusive process is characterized here by means of an operator corresponding to the matrix logarithm of a Perron-like matrix based on the pseudoinverse of the graph Laplacian. We prove also that this operator is indeed the Laplacian matrix of a signed version of the original graph, in which nonnearest neighbors’ “interactions” are also considered. In this way, the resistance distance is part of a family of squared Euclidean distances emerging from diffusive dynamics on graphs. Full article

Efficient and sustainable extraction of bioactive benzopyrans from Hypericum polyanthemum Klotzsch ex Reichardt (Hypericaceae) remains underexplored, despite their potential applications. The current study aimed to optimize this process by integrating computational simulation and experimental extraction with suitable solvents. The COSMO-RS model was employed to screen deep eutectic solvents (DESs), indicating lactic acid/glycine/water 3:1:3 (DES 1) as a highly promising candidate based on activity coefficients at infinite dilution for target benzopyrans (HP1, HP2, HP3). Ultrasound-assisted extraction (UAE) was then conducted using the proposed DES as well as hexane, and the extracts were analyzed via high-performance liquid chromatography (HPLC) and spectrophotometry for total phenolic content (TPC). The results for DES 1 showed yields for benzopyrans HP1 (1.43 ± 0.09 mg/g plant) and HP2 (0.55 ± 0.04 mg/g plant) close to those obtained in the hexane extract (1.65 and 0.78 mg/g plant, respectively), corroborating the use of COSMO-RS for solvent screening. Kinetic analysis using an adapted Crank diffusion model successfully described the mass transfer process for DES 1 (R² > 0.98, mean average percent error < 9%), indicating diffusion control and allowing estimation of effective diffusion coefficients. This work confirms COSMO-RS as a valuable tool for solvent selection and demonstrates that UAE with the identified DES provides an efficient, greener approach for extracting valuable benzopyrans, offering a foundation for further process optimization. Full article

100 nm thick TiO₂/TiN bilayers with varying thickness ratios were deposited via reactive sputtering of a Ti target in controlled oxygen and nitrogen atmospheres. Post-deposition annealing in air at 600 °C was performed to induce nitrogen diffusion through the oxygen-deficient TiO₂ layer. The resulting changes in morphology and chemical environment were investigated in detail using transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and UV-Vis spectroscopy. Detailed TEM and XPS analyses have confirmed nitrogen diffusion across the TiO₂ layer, with surface nitrogen concentration and the ratio of interstitial to substitutional nitrogen dependent on the TiO₂/TiN mass ratio. Optical studies demonstrated modifications in optical constants and a reduction of the effective bandgap from 3.2 eV to 2.6 eV due to new energy states introduced by nitrogen doping. Changes in surface free energy induced by nitrogen incorporation showed a correlation to nitrogen doping sites on the surface, which had positive effects on overall photocatalytic activity. Photocatalytic activity, assessed through methylene blue degradation, showed enhancement attributed to nitrogen doping. Additionally, deposition of a 5 nm gold layer on the annealed sample enabled investigation of synergistic effects between nitrogen doping and gold incorporation, resulting in further improved photocatalytic performance. These findings establish the TiO₂/TiN bilayer as a versatile platform for supporting thin gold films with enhanced photocatalytic properties. Full article

Wounds are undeniably important gateways for pathogens to enter the body. In addition to their detrimental local effects, they can also cause adverse systemic effects. For this reason, developing methods for eradicating pathogens from wounds is a challenging medical issue. Polymers, particularly hydrogels, are one of the more essential materials for designing novel drug-delivery systems, thanks to the ease of tuning their structures. This work exploits this property by utilizing copolymerization, microwave modification, and drug-loading processes to obtain antibacterial gels. Synthesized xylitol-modified glycidyl methacrylate-co-ethyl methacrylate ([P(EMA)-co-(GMA)]-Xyl]) matrices were loaded with bacitracin, gentian violet, furazidine, and brilliant green, used as active pharmaceutical ingredients (APIs). The hydrophilic properties, API release mechanism, and antibacterial properties of the obtained hydrogels against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus epidermidis containing [P(EMA)-co-(GMA)]-Xyl] were studied. The hydrogels with the APIs efficiently inhibit bacteria growth with low doses of drugs, and our findings are statistically significant, confirmed with ANOVA analysis at p = 0.05. The results confirmed that the proposed system is hydrophilic and has extended the drug-release capabilities of APIs with a controlled burst effect based on [P(EMA)-co-(GMA)]-Xyl] content in the hydrogel. Hydrogels are characterized by the prolonged release of APIs in a very short time (a few minutes). Although the amount of released APIs is about 10%, it still exceeds the minimum inhibitory concentrations of drugs. Several kinetic models (first-order, second-order, Baker–Lonsdale, and Korsmeyer–Peppas) were applied to fit the API release data from the [P(EMA)-co-(GMA)]-Xyl-based hydrogel. The best fit of the Korsmeyer–Peppas kinetic model to the experimental data was determined, and it was confirmed that a diffusion-controlled release mechanism of the APIs from the studied hydrogels is dominant, which is desirable for applications requiring a consistent, controlled release of therapeutic agents. A statistical analysis of API release using Linear Mixed Model was performed, examining the relationship between % mass of API, sample (hydrogels and control), time, sample–time interaction, and variability between individuals. The model fits the data well, as evidenced by the determination coefficients close to 1. The analyzed interactions in the data are reliable and statistically significant (p < 0.001). The outcome of this study suggests that the presented acrylate-based gel is a promising candidate for developing wound dressings. Full article

This review critically examines the effects of moisture absorption on the mechanical and fatigue properties of natural fiber composites (NFCs), with a focus on tensile strength, elastic modulus, and long-term durability. Moisture uptake can cause reductions in tensile strength of up to 40% and in elastic modulus by 20–30% depending on fiber type, mass fraction (typically in the range of 30–60%), and surface treatments. The review highlights Ithat while surface modifications (e.g., alkaline and silane treatments) significantly mitigate moisture-induced degradation, their effectiveness is highly sensitive to the processing conditions. Additionally, hybridization strategies and optimized fiber orientations show promise in enhancing fatigue resistance under humid environments. Despite substantial progress, major challenges remain, including the lack of standardized testing protocols and the limited understanding of multiscale aging mechanisms. Future research directions include developing predictive models that couple moisture diffusion and mechanical deterioration, implementing advanced in situ monitoring of damage evolution, and exploring novel bio-based treatments. By addressing these gaps, NFCs can become more reliable and widely adopted as sustainable alternatives in structural applications. Full article

Background and Clinical Significance: Bilateral diffuse uveal melanocytic proliferation (BDUMP) is a rare paraneoplastic syndrome characterized by bilateral uveal melanocyte proliferation and progressive visual disturbance. While most commonly associated with solid tumors, its occurrence in hematologic malignancies is exceedingly rare. Case Presentation: We report a case of BDUMP in a 64-year-old male recently diagnosed with chronic myelomonocytic leukemia (CMML), who presented with subacute, painless bilateral blurred vision. Multimodal imaging revealed suggestive features of BDUMP, including orange-red subretinal patches, retinal pigment epithelium mottling, and diffuse choroidal thickening, consistent with early structural involvement despite preserved central vision. No intraocular mass or signs of inflammation were observed. The patient did not receive specific treatment for BDUMP, and visual acuity remained stable during follow-up. Conclusions: This case underscores the importance of considering BDUMP in the differential diagnosis of bilateral visual symptoms in patients with hematologic malignancies. Although rare, BDUMP may occur in the context of CMML. Recognition through multimodal imaging and interdisciplinary collaboration is essential, and further research is needed to clarify its pathogenesis and improve management strategies. Full article

Iron-rich bauxite residue (red mud) is a hazardous alkaline solid waste produced during the production of alumina from high-iron bauxite, which poses severe environmental challenges due to its massive stockpiling and limited utilization. In this study, metallic iron was recovered from high-iron red mud using the smelting reduction process. Thermodynamic analysis results show that an increase in temperature and sodium oxide content, along with an appropriate mass ratio of Al₂O₃ to SiO₂ (A/S) and mass ratio of CaO to SiO₂ (C/S), contribute to the enhancement of the liquid phase mass fraction of the slag. During the smelting reduction process of high-iron red mud, iron recoveries for low-alkali high-iron red mud and high-alkali high-iron red mud under optimal conditions were 98.14% and 98.36%, respectively. The metal obtained through reduction meets the industrial standard for steel-making pig iron, which is also confirmed in the pilot-scale experiment. The smelting reduction process of high-iron red mud can be divided into two stages, where the reaction is predominantly governed by interfacial chemical reaction and diffusion control, respectively. The apparent activation energy of high-alkali high-iron red mud is lower than that observed for low-alkali high-iron red mud. The reduced slag can be used as a roadside stone material or cement clinker. This proposed method represents a sustainable process for the comprehensive utilization of high-iron red mud, which also promotes the minimization of red mud. Full article