Search Results (2,171)

Palindromic antimicrobial peptides (PAMs) constitute versatile scaffolds for the design and optimization of anticancer agents with applications in therapy, diagnosis, and/or monitoring. In the present study, fluorolabeled peptides derived from the palindromic sequence RWQWRWQWR containing fluorescent probes, such as 2-Aminobenzoyl, 5(6)-Carboxyfluorescein, and Rhodamine B, were obtained. RP-HPLC analysis revealed that the palindromic peptide conjugated to Rhodamine B (RhB-RWQWRWQWR) exhibited the presence of isomers, likely corresponding to the open-ring and spiro-lactam forms of the fluorescent probe. This equilibrium is dependent on the peptide sequence, as the RP-HPLC analysis of dimeric peptide (RhB-RRWQWR-hF-KKLG)₂K-Ahx did not reveal the presence of isomers. The antibacterial activity of the fluorescent peptides depends on the probe attached to the sequence and the bacterial strain tested. Notably, some fluorescent peptides showed activity against reference strains as well as sensitive, resistant, and multidrug-resistant clinical isolates of E. coli, S. aureus, and E. faecalis. Fluorolabeled peptides 1-Abz (MIC = 62 µM), RhB-1 (MIC = 62 µM), and Abz-1 (MIC = 31 µM) exhibited significant activity against clinical isolates of E. coli, S. aureus, and E. faecalis, respectively. The RhB-1 (IC₅₀ = 61 µM), Abz-1 (IC₅₀ = 87 µM), and RhB-2 (IC₅₀ = 35 µM) peptides exhibited a rapid, significant, and concentration-dependent cytotoxic effect on HeLa cells, accompanied by morphological changes characteristic of apoptosis. RhB-1 (IC₅₀ = 18 µM) peptide also exhibited significant cytotoxic activity against breast cancer cells MCF-7. These conjugates remain valuable for elucidating the possible mechanisms of action of these novel anticancer peptides. Rhodamine-labeled peptides displayed cytotoxicity comparable to that of their unlabeled analogues, suggesting that cellular internalization constitutes a critical early step in their mechanism of action. These findings suggest that cell death induced by both unlabeled and fluorolabeled peptides proceeds predominantly via apoptosis and is likely contingent upon peptide internalization. Functionalization at the N-terminal end of the palindromic sequence can be evaluated to develop systems for transporting non-protein molecules into cancer cells. Full article

In this work, the biosorption potential of Spirulina sp. as an effective and eco-friendly biosorbent for the removal of Ni(II) and Pb(II) ions from aqueous solutions was investigated. Detailed characterization of the biosorbent was carried out, including surface morphology, chemical composition, particle size, zeta potential, crystallinity, zero-point charge, and functional group analysis. Batch tests were performed to determine the kinetic constants and adsorption equilibrium of the studied ions. The adsorption behavior of Spirulina sp. was described using six adsorption isotherms. The best fit was obtained for the Redlich-Peterson and Langmuir isotherms, indicating that monolayer adsorption occurred. The maximum biosorption capacities for Ni(II) and Pb(II) were 20.8 mg·g⁻¹ and 93.5 mg·g⁻¹, respectively, using a biosorbent dose of 10 g·L⁻¹, initial metal concentrations ranging from 50 to 5000 mg·L⁻¹, at pH 6, 20 °C, and a contact time of 120 min. Low values of the mean free energy of adsorption (E) in the Dubinin–Radushkevich and Temkin model (0.3 and 0.1 kJ·mol⁻¹ for Pb(II) and 0.35 and 0.23 kJ·mol⁻¹ for Ni(II)) indicate the dominance of physical processes in the ion binding mechanism. The adsorption of Pb(II) ions was more effective than that of Ni(II) ions across the entire range of tested concentrations. At low initial concentrations, the removal of Pb(II) reached 94%, while for Ni(II) it was 80%. Full article

The removal of high-concentration m-cresol from industrial wastewater remains a significant challenge due to its toxicity and persistence. In this study, a commercially available functionalized resin with a high BET surface area (1439 m² g⁻¹) and hierarchical pore structure was employed for the adsorption of pure m-cresol at an initial concentration of 20 g L⁻¹, representative of coal-based industrial effluents. Comprehensive characterization confirmed the presence of oxygen-rich functional groups, amorphous polymeric structure, and uniform surface morphology conducive to adsorption. Batch experiments were conducted to evaluate the effects of resin dosage, contact time, temperature, and equilibrium concentration. Under optimized conditions (0.15 g resin, 60 °C), a maximum adsorption capacity of 556.3 mg g⁻¹ and removal efficiency of 71% were achieved. Kinetic analysis revealed that the pseudo-second-order model best described the adsorption process (R² > 0.99). Isotherm data fit the Langmuir model most closely (R² = 0.9953), yielding a monolayer capacity of 833.3 mg g⁻¹. Thermodynamic analysis showed that adsorption was spontaneous (ΔG° < 0), endothermic (ΔH° = 7.553 kJ mol⁻¹), and accompanied by increased entropy (ΔS° = 29.90 J mol⁻¹ K⁻¹). The good agreement with the PSO model is indicative of chemisorption, as supported by other lines of evidence, including thermodynamic parameters (e.g., positive ΔH° and ΔS°), surface functional group characteristics, and molecular interactions. The adsorption mechanism was elucidated through comprehensive modeling of adsorption kinetics, isotherms, and thermodynamics, combined with detailed physicochemical characterization of the resin prior to adsorption, reinforcing the mechanistic understanding of m-cresol–resin interactions. Full article

Numerical simulations enable us to couple multiphase flow and geochemical processes to evaluate how sequestration impacts brine chemistry and reservoir properties. This study investigates these impacts during CO₂ storage at the San Juan Basin CarbonSAFE (SJB) site. The hydrodynamic model was calibrated through history-matching, utilizing data from saltwater disposal wells to improve predictive accuracy. Core-scale simulations incorporating mineral interactions and equilibrium reactions validated the model against laboratory flow-through experiments. The calibrated geochemical model was subsequently upscaled into a field-scale 3D model of the SJB site to predict how mineral precipitation and dissolution affect reservoir properties. The results indicate that the majority of the injected CO₂ is trapped structurally, followed by residual trapping and dissolution trapping; mineral trapping was found to be negligible in this study. Although quartz and calcite precipitation occurred, the dissolution of feldspars, phyllosilicates, and clay minerals counteracted these effects, resulting in a minimal reduction in porosity—less than 0.1%. The concentration of the various ions in the brine is directly influenced by dissolution/precipitation trends. This study provides valuable insights into CO₂ sequestration’s effects on reservoir fluid dynamics, mineralogy, and rock properties in the San Juan Basin. It highlights the importance of reservoir simulation in assessing long-term CO₂ storage effectiveness, particularly focusing on geochemical interactions. Full article

Polysaccharides and phenols are commonly co-localized in various plant-derived foods, including highland barley (Hordeum vulgare L. var. nudum Hook. f.). The interactions between these compounds can influence multiple characteristics of food products, including their physicochemical properties and functional performance, such as bioavailability, stability, and digestibility, which may support promising application of the phenol and polysaccharide complex in health food industry. In this study, two complexes with potential existence in highland barley, such as β-glucan-ferulic acid (GF) and β-glucan-quercetin (GQ), were prepared using the equilibrium dialysis method in vitro. FTIR and SEM results showed that ferulic acid and quercetin formed complexes with β-glucan separately, with covalent and non-covalent bonds and a dense morphological structure. The pH value, reaction temperature, and concentration of phosphate buffer solution (PBS) were confirmed to have an impact on the formation and yield of the complex. Through the test of the response surface, it was found that the optimum conditions for GF and (GQ) preparations were a pH of 6.5 (6), a PBS buffer concentration of 0.08 mol/L (0.3 mol/L), and a temperature of 8 °C (20 °C). Through in vitro assays, GF and GQ were found to possess good antioxidant activity, with a greater scavenging effect of DPPH, ABTS, and hydroxyl radical than the individual phenolic acids and glucans, as well as their physical mixtures. Taking GF as an example, the DPPH radical scavenging capacity ranked as GF (71.74%) > ferulic acid (49.50%) > PGF (44.43%) > β-glucan (43.84%). Similar trends were observed for ABTS radical scavenging (GF: 54.56%; ferulic acid: 44.37%; PGF: 44.95%; β-glucan: 36.42%) and hydroxyl radical elimination (GF: 39.16%; ferulic acid: 33.06%; PGF: 35.51%; β-glucan: 35.47%). In conclusion, the convenient preparation method and excellent antioxidant effect of the phenol–polysaccharide complexes from highland barley provide new opportunities for industrial-scale production, development, and design of healthy food based on these complexes. Full article

Urban subsurface pipeline bursts can induce catastrophic cascading effects, including ground collapse, infrastructure failure, and socioeconomic losses. However, stratum responses during the erosion cavity expansion phase and corresponding disaster mitigation strategies have rarely been researched. In this study, a numerical model validated through experimental tests was employed to investigate the effects of internal water pressures, burial depths, and different geotextile-based disaster mitigation strategies. It was revealed that a burial depth-dependent critical internal water pressure governed the erosion cavity expansion, and a predictive equation was derived based on the limit equilibrium theory. Higher internal water pressure accelerated the erosion cavity expansion and amplified the stratum stress within a range of twice the diameter D. Increased burial depth $d$ reduced peak ground heave but linearly expanded the heave zone range, concurrently elevating the overall stratum stress level and generating larger stress reduction zones (i.e., when $d/D$ = 3.0, the range of the stress reduction zone was 8.0D). All geotextile layout configurations exhibited different disaster mitigation effects (the peak ground heave was reduced by at least 15%). The semi-circular closely fitted configuration (SCCF) optimally restricted the expansion of the erosion cavity, reduced the stratum displacement (i.e., 39% reduction in the peak ground heave), and avoided stress concentration. Comprehensive analysis indicated that SCCF was suited for low-pressure pipelines in deformation-sensitive stratum and semi-circular configuration (SC) was suitable for deformation-insensitive pipeline sections. These findings provide actionable insights for tailoring mitigation strategies to specific operational risks. Full article

The salt flotation of graphite in the presence of lithium nickel manganese cobalt oxide (NMC) was assessed by performing colloidal probe atomic force microscopy (CP-AFM) on sessile gas bubbles and conducting batch flotation tests with model lithium-ion-battery black mass. The modeling of film drainage and detachment during particle–bubble interactions provides insight into the fundamental microprocesses during salt flotation, a special variant of froth flotation. The interfacial properties of particles and gas bubbles were tailored with salt solutions containing sodium chloride and sodium acetate buffer. Graphite particles can attach to gas bubbles under all tested conditions in the range pH 3 to pH 10. The attractive forces for spherical graphite are strongest at high salt concentrations and pH 3. The conditions for the attachment of NMC to gas bubbles were evaluated with simulations using the Stokes–Reynolds–Young–Laplace model for film drainage, under consideration of DLVO forces and a hydrodynamic slip to account for irregularities of the particle surface. CP-AFM measurements in the capillary force regime provide additional parameters for the modeling of salt flotation, such as the force and work of detachment. The contact angles of graphite and NMC particles during retraction and detachment from gas bubbles were obtained from a quasi-equilibrium model using CP-AFM data as input. All CP-AFM experiments and theoretical results suggest that pristine NMC particles do not attach to gas bubbles during flotation, which is confirmed by the low rate of NMC recovery in batch flotation tests. Full article

Previous studies have mostly focused on the adsorption behavior of microplastics for antibiotics in soil or aqueous environments. This study explores the adsorption characteristics of microplastics for antibiotics under groundwater environmental conditions and the influence of typical influencing factors of the groundwater environment (pH, pollutant concentration, aquifer media, dissolved organic matter, and ionic strength) on the adsorption process. Polyethylene (PE) and tetracycline (TC) were selected as typical microplastics and antibiotics in the experiment. The study results showed that the adsorption of TC by PE reached equilibrium at 48 h, and the adsorption kinetics fitted pseudo-second-order kinetics models well. The adsorption isotherm was consistent with the Langmuir model. The adsorption capacity of PE for TC was highest under neutral conditions and positively correlated with the initial concentration of TC. The aquifer media exhibited limited effects on the adsorption process. Fulvic acid (FA) significantly suppressed TC adsorption onto PE, attributable to competitive adsorption mechanisms. TC adsorption on PE initially increased then declined with Ca²⁺ concentration due to Ca²⁺ bridging and competition. This research elucidates the adsorption mechanisms of PE towards TC, providing theoretical basis and reference for assessing the environmental risk of microplastics and antibiotics in groundwater. Full article

In this study, a new, patented form of a water-soluble cannabidiol (CBD) complex was synthesised and tested. The formation of the complex is based on the interactions, presumably through hydrogen bonding, between cannabidiol and glucosamine, the latter contributing significantly to the increased hydrophilicity. The complex was characterised by chromatography, thermal analysis, nuclear magnetic resonance, Fourier transform infrared spectroscopy, and permeability tests. This complex has a substantially higher water solubility than normal CBD. Permeability tests indicate that it has almost five times lower permeability through lipophilic membranes and less than half the membrane mass retention of conventional CBD. At the same time, its equilibrium concentration is almost four times higher than that of normal CBD. These results suggest that this new form of CBD is a promising candidate for future biological and clinical studies, as it offers improved bioavailability and biodistribution. Full article

This study provides a thorough examination of the utilization of hydrophobic deep eutectic solvents (HDESs) for the extraction of 1,2-dichloroethane (1,2-DCA) from effluent, with an emphasis on a sustainable and environmentally friendly approach. The extraction efficacy of six HDES systems was initially evaluated, and the combinations of thymol/camphor (Thy/Cam) and menthol/thymol (Men/Thy) exhibited superior performance. Subsequently, these two HDESs were chosen for a comprehensive parametric analysis. The impact of contact time demonstrated that extraction equilibrium was reached at 15 min for both systems, thereby achieving a balance between high efficiency and time efficiency. Next, the impact of the HDES-to-water mass ratio was investigated. A 1:1 ratio was determined to be the most effective, as it minimized solvent consumption and provided high efficiency. An additional examination of the molar ratios of the HDES components revealed that the 1:1 ratio exhibited the most effective extraction performance. This was due to the fact that imbalances in the solvent mixture resulted in diminished efficiency as a result of disrupted molecular interactions. The extraction efficiency was significantly influenced by the initial concentration of 1,2-DCA, with higher concentrations resulting in superior results as a result of the increased mass transfer driving forces. In general, the Men/Thy and Thy/Cam systems have shown noteworthy stability and efficiency under different conditions, which makes them highly suitable for large-scale applications. Full article

Vacuum degassing (VD) is a critical refining step in electric arc furnace (EAF) steelmaking for producing clean steel with reduced nitrogen and hydrogen content. This study develops an Effective Equilibrium Reaction Zone (EERZ) model focused on denitrogenation (de-N) by simulating interfacial reactions at the bubble–steel interface (Z1). The model incorporates key process parameters such as argon flow rate, vacuum pressure, and initial nitrogen and sulfur concentrations. A robust empirical correlation was established between de-N efficiency and the mass of Z1, reducing prediction time from a day to under a minute. Additionally, the model was further improved by incorporating a dynamic surface exposure zone (Z_eye) to account for transient ladle eye effects on nitrogen removal under deep vacuum (<10 torr), validated using synchronized plant trials and Python-based video analysis. The integrated approach—combining thermodynamic-kinetic modeling, plant validation, and image-based diagnostics—provides a robust framework for optimizing VD control and enhancing nitrogen removal control in EAF-based steelmaking. Full article

In the energy sector and in other types of industries (cement, iron/steel, chemical and petrochemical), highly roasted coffee ground residue can be used as a source material for producing bioadsorbents suitable for CO₂ capture. In this study, a bioadsorbent was produced in a two-step process involving biowaste carbonization and biocarbon activation within a KOH solution. The physicochemical properties of the bioadsorbent were assessed using LECO, TG, SEM, BET and FT-IR methods. Investigating the CO₂, O₂ and N₂ equilibrium adsorption capacity using an IGA analyzer allowed us to calculate CO₂ selectivity factors. We assessed the influence of exhaust gas carbon dioxide concentration (16%, 30%, 81.5% and 100% vol.) and adsorption step temperature (25 °C, 50 °C and 75 °C) on the CO₂ adsorption capacity of the bioadsorbent. We also investigated its stability and regenerability in multi-step adsorption–desorption using a TG-Vacuum system, simulating the VSA process and applying different pressures in the regeneration step (30, 60 and 100 mbar_abs). The tests conducted assessed the possibility of using a produced bioadsorbent for capturing CO₂ using the VSA technique. Full article

The discharge of synthetic dyes in industrial wastewaters poses a serious environmental threat as they are difficult to degrade naturally and are harmful to aquatic organisms. This study aimed to evaluate the feasibility of using clean untreated rice husk (CRH) as a sustainable and low-cost adsorbent for the removal of methylene blue (MB) from synthetic wastewater. This approach effectively avoids the energy-intensive grinding process by directly using whole unprocessed rice husk, highlighting its potential as a sustainable and cost-effective alternative to activated carbon. A series of batch adsorption experiments were conducted to evaluate the effects of key operating parameters such as initial dye concentration, contact time, pH, ionic strength, and temperature on the adsorption performance. Adsorption kinetics, isotherm models, and thermodynamic analysis were applied to elucidate the adsorption mechanism and behavior. The results showed that the maximum adsorption capacity of CRH for MB was 5.72 mg/g. The adsorption capacity was stable and efficient between pH 4 and 10, and reached the highest value at pH 12. The presence of sodium ions (Na⁺) and calcium ions (Ca²⁺) inhibited the adsorption efficiency, with calcium ions having a more significant effect. Kinetic analysis confirmed that the adsorption process mainly followed a pseudo-second-order model, suggesting the involvement of a chemisorption mechanism; notably, in the presence of ions, the Elovich model provided better predictions of the data. Thermodynamic evaluation showed that the adsorption was endothermic (ΔH° > 0) and spontaneous (ΔG° < 0), accompanied by an increase in the disorder of the solid–liquid interface (ΔS° > 0). The calculated activation energy (Ea) was 17.42 kJ/mol, further supporting the involvement of chemisorption. The equilibrium adsorption data were well matched to the Langmuir model at high concentrations (monolayer adsorption), while they were accurately described by the Freundlich model at lower concentrations (surface heterogeneity). The dimensionless separation factor (RL) confirmed that the adsorption process was favorable at all initial MB concentrations. The results of this study provide insights into the application of agricultural waste in environmental remediation and highlight the potential of untreated whole rice husk as a sustainable and economically viable alternative to activated carbon, which can help promote resource recovery and pollution control. Full article

The treatment of contaminants from road infrastructure poses significant challenges due to their variable composition and the high concentrations of chloride ions, heavy metals, and oil-derived substances. Traditional methods for protecting groundwater environments are often insufficient. A promising alternative is permeable reactive barrier (PRB) technology, which utilizes recycled materials and construction waste as reactive components within the treatment zone of the ground. This paper delves into the potential of employing a composite (MIX) consisting of modified construction aggregate (as recycled material) and activated carbon (example of reactive material) to address environmental contamination from a mixture of heavy metals and chloride. The research involved chemical modifications of the road aggregate, activated carbon, and their composite, followed by laboratory tests in glass reactors and non-flow batch tests to evaluate the kinetics and chemical equilibrium of the reactions. The adsorption process was stable and conformed to the pseudo-second-order kinetics and Langmuir, Toth, and Redlich–Peterson isotherm models. Studies using MIX from a heavy metal model solution showed that monolayer adsorption was a key mechanism for removing heavy metals, with strong fits to the Langmuir (R² > 0.80) and Freundlich models, and optimal efficiencies for Cd and Ni (R² > 0.90). The best fit, at Cd, Cu, Ni = 0.96, however, was with the Redlich–Peterson isotherm, indicating a mix of physical and chemical adsorption on heterogeneous surfaces. The Toth model was significant for all analytes, fitting Cl and Cd well and Pb and Zn moderately. The modifications made to the composite significantly enhanced its effectiveness in removing the contaminant mixture. The test results demonstrated an average reduction of chloride by 85%, along with substantial removals of heavy metals: lead (Pb) by 90%, cadmium (Cd) by 86%, nickel (Ni) by 85%, copper (Cu) by 81%, and zinc (Zn) by 79%. Further research should focus on the removal of other contaminants and the optimization of magnesium oxide (MgO) dosage. Full article

With growing reliance on hydraulic fracturing to develop tight oil and gas reservoirs characterized by low porosity and permeability, optimizing proppant transport and placement has become critical to sustaining fracture conductivity and production. However, how fracture geometry influences proppant distribution under varying field conditions remains insufficiently understood. This study employed computational fluid dynamics to investigate proppant transport and placement in hydraulic fractures of which the aperture tapers linearly along their length. Four taper rate models (δ = 0, 1/1500, 1/750, and 1/500) were analyzed under a range of operational parameters: injection velocities (1.38–3.24 m/s), sand concentrations (2–8%), proppant particle sizes (0.21–0.85 mm), and proppant densities (1760–3200 kg/m³). Equilibrium proppant pack height was adopted as the key metric for pack morphology. The results show that increasing injection rate and taper rate both serve to lower pack heights and enhance downstream transport, while a higher sand concentration, larger particle size, and greater density tend to raise pack heights and promote more stable pack geometries. In tapering fractures, higher δ values amplify flow acceleration and turbulence, yielding flatter, “table-top” proppant distributions and extended placement lengths. Fine, low-density proppants more readily penetrate to the fracture tip, whereas coarse or dense particles form taller inlet packs but can still be carried farther under high taper conditions. These findings offer quantitative guidance for optimizing fracture geometry, injection parameters, and proppant design to improve conductivity and reduce sand-plugging risk in tight formations. These insights address the challenge of achieving effective proppant placement in complex fractures and provide quantitative guidance for tailoring fracture geometry, injection parameters, and proppant properties to improve conductivity and mitigate sand plugging risks in tight formations. Full article