Search Results (120)

Aquaculture has emerged as a sustainable alternative to meet the growing demand for aquatic products while preserving natural ecosystems. This study presents the design, simulation, and experimental validation of an intelligent multivariable control system for aquaculture tanks aimed at cultivating Mugil incilis, a native species of the Colombian Caribbean. The system integrates three control strategies: a classical Proportional-Integral-Derivative (PID) controller, a fuzzy logic–based PID controller, and a neural network predictive controller. All strategies were evaluated in simulation using a third-order transfer function model identified from real pond data. The fuzzy PID controller reduced the mean squared error (MSE) by 66.5% compared to the classical PID and showed faster settling times and lower overshoot. The neural predictive controller, although anticipatory, exhibited high computational cost and instability. Only the fuzzy PID controller was implemented and validated experimentally, demonstrating robust, accurate, and stable regulation of potential hydrogen (pH), dissolved oxygen, and salinity under dynamic environmental conditions. The system operated in real time on embedded hardware powered by a solar kit, confirming its suitability for rural or off-grid aquaculture contexts. This approach provides a viable and scalable solution for advancing intelligent, sustainable aquaculture practices, particularly for sensitive native species in tropical regions. Full article

This study investigates the structural and energetic properties of hydrogen-bonded complexes between indole and a range of aliphatic, cyclic, and aromatic ketones using a combined vibrational spectroscopic and quantum-chemical approach. FTIR measurements in CCl₄ revealed redshifts in the N-H stretching vibration of indole upon complexation, with formation constants (K_a) ranging from 0.3 to 6.6 M⁻¹. Cyclohexanone displayed the strongest binding, while benzophenone exhibited the weakest interaction. Quantum-chemical calculations, employing CREST and MMFF94 conformational sampling, along with M06-2X/6-311++G(d,p) optimizations, confirmed the formation of hydrogen bonds and additional weak interactions that govern the stability of the complex. QTAIM analysis revealed moderate closed-shell hydrogen bonds with electron densities at the bond critical points (ρ) ranging from 0.010 to 0.019 a.u. and potential energy densities (V) from −18.4 to −36.4 kJ mol⁻¹. Multivariate regression analysis established strong correlations (R² = 0.928 and 0.957) between experimental binding constants and theoretical descriptors, including binding energy, NBO charge on oxygen atom, ionization potential, and electrophilicity index, highlighting the interplay between geometric, electronic, and global reactivity factors. This comprehensive study underlines the predictive power of spectroscopic and quantum descriptors for assessing hydrogen bonding in biologically relevant systems. Full article

The bench-scale demonstration of the UKy-IDEA process for direct air capture (DAC) technology combines solvent-aided CO₂ capture with electrochemical regeneration (ER) through a pH swing process, enabling efficient CO₂ capture and simultaneous solvent regeneration, producing high-purity hydrogen as a valuable co-product. The system shows stable performance with over 90% CO₂ capture efficiency and approximately 80% CO₂ recovery, handling ambient air at 280 L/min. During testing, the unit captured 1 kg of CO₂ over 100 h, with a concentrated CO₂ output purity of around 70%. Operating efficiently at low voltage (<3 V), the system supports flexible and remote operation without AC/DC converters when using intermittent renewable energy. Techno-economic analysis (TEA) and Life Cycle Assessment (LCA) highlight its minimized required footprint and cost-effectiveness. Marketable hydrogen offsets capture costs, and compatibility with renewable DC power enhances appeal. Hydrogen production displacing CO₂ produced via electrolysis achieves 0.94 kg CO₂ abated per kg CO₂ captured. The project would be economic, with USD 26 per ton of CO₂ from the federal 45Q tax credit for carbon utilization, and USD 5 to USD 12 per kg for H₂. Full article

Chitosan, a naturally occurring alkaline polysaccharide with excellent biocompatibility, non-toxicity, and renewability, has the ability to undergo cross-linking reactions with polyphenolic compounds. In this study, chitosan-encapsulated green tea extract microsphere resin (CS-GTEMR) was successfully prepared using chitosan and green tea extract via reversed-phase suspension cross-linking polymerization. The structural characterization of CS-GTEMR was conducted using Fourier Transform Infrared Spectroscopy (FTIR) and Differential Scanning Calorimetry (DSC). Additionally, its physical properties, swelling behavior, polyphenol content, and antioxidant activities were investigated. The results indicate that CS-GTEMR consists of reddish-brown microspheres with a smooth surface and dense pores. The study found that the total content of polyphenolic compounds encapsulated in CS-GTEMR was 50.485 ± 0.840 μg/g. The characteristic absorption peak of phenolic hydroxyl groups appeared in the FTIR spectrum, suggesting that the polyphenolic compounds had been successfully encapsulated within the CS-GTEMR. The equilibrium swelling ratio of CS-GTEMR was determined to be 229.7%, indicating their suitability for use in solutions with a pH range of 1–13. In simulated gastric and intestinal fluids, the release rates of polyphenolic compounds from CS-GTEMR were 24.934% and 3.375%, respectively, indicating that CS-GTEMR can exert a sustained-release effect on polyphenolic compounds. CS-GTEMR demonstrated antioxidant activities such as scavenging DPPH radicals, superoxide anion radicals, hydroxyl radicals, and hydrogen peroxide, as well as exhibiting iron-reducing and molybdenum-reducing powers. With its high mechanical strength, acid resistance, and organic solvent resistance, CS-GTEMR can protect polyphenolic compounds from damage. Therefore, CS-GTEMR can be utilized as a natural antioxidant or preventive agent in food, expanding the application scope of green tea extracts. Full article

Photocatalytic hydrogen (H₂) production offers a promising solution to energy shortages and environmental challenges by converting solar energy into chemical energy. Hydrogen, as a versatile energy carrier, can be generated through photocatalysis under sunlight or via electrolysis powered by solar or wind energy. However, the advancement of photocatalysis is hindered by the limited availability of effective visible light-responsive semiconductors and the challenges of charge separation and transport. To address these issues, researchers are focusing on the development of novel nanostructured semiconductors and composite materials that can enhance photocatalytic performance. In this paper, we provide an overview of the advanced photocatalytic materials prepared so far that can be activated by sunlight, and their efficiency in H₂ production. One of the key strategies in this research area concerns improving the separation and transfer of electron–hole pairs generated by light, which can significantly boost H₂ production. Advanced hybrid materials, such as organic–inorganic hybrid composites consisting of a combination of polymers with metal oxide photocatalysts, and the creation of heterojunctions, are seen as effective methods to improve charge separation and interfacial interactions. The development of Schottky heterojunctions, Z-type heterojunctions, p–n heterojunctions from nanostructures, and the incorporation of nonmetallic atoms have proven to reduce photocorrosion and enhance photocatalytic efficiency. Despite these advancements, designing efficient semiconductor-based heterojunctions at the atomic scale remains a significant challenge for the realization of large-scale photocatalytic H₂ production. In this review, state-of-the-art advancements in photocatalytic hydrogen production are presented and discussed in detail, with a focus on photocatalytic nanostructures, heterojunctions and hybrid composites. Full article

The valence bond (VB) framework is widely recognized as a powerful tool for elucidating the electronic origins of activation energy barriers in chemical reactions. We employed ab initio VB calculations to investigate the hydrogen abstraction (H-abstraction) barrier in cytochrome P450 enzymes (P450s), using a simplified model in which an oriented external electric field (OEEF) was applied to efficiently capture the electronic effects of the equatorial porphyrin and proximal thiolate ligands on the iron(IV)–oxo unit in compound I (Cpd I). Methane (CH₄) was used as the model substrate. The VB-calculated barrier height, evaluated with this simplified model, qualitatively reproduced the barrier predicted by density functional theory (DFT) calculations using a more complete active-site model. Additionally, by examining the weights and diagonal elements of the Hamiltonian matrix for different VB structures along the reaction coordinate, we identified key VB structures—including covalent and ionic configurations representing the C–H and O–H bonds—that contribute significantly to the electronic origin of the barrier height. The mixing of these distinct VB structures leads to resonance stabilization, which is maximized at the transition state. Full article

The rapid growth in natural gas consumption by gas-fired generators and the emergence of power-to-hydrogen (P2H) technology have increased the interdependency of natural gas and power systems, presenting new challenges to energy system operators due to the heterogeneous uncertainties associated with power loads, renewable energy sources (RESs), and gas loads. These uncertainties can easily spread from one infrastructure to another, increasing the risk of cascading outages. Given the erratic nature of RESs, P2H technology provides a valuable solution for large-scale energy storage systems, crucial for the transition to economic, clean, and secure energy systems. This paper proposes a new approach for the co-optimized operation of gas and electric power systems, aiming to reduce combined operating costs by 10–15% without jeopardizing gas and energy supplies to customers. A mixed integer non-linear programming (MINLP) model is developed for the optimal day-ahead operation of these integrated systems, with a case study involving the IEEE 24-bus power system and a 20-node natural gas system. Simulation results demonstrate the model’s effectiveness in minimizing total costs by up to 20% and significantly reducing renewable energy curtailment by over 50%. The proposed approach supports UN Sustainable Development Goals by ensuring sustainable energy (SDG 7), fostering innovation and resilient infrastructure (SDG 9), enhancing energy efficiency for resilient cities (SDG 11), promoting responsible consumption (SDG 12), contributing to climate action (SDG 13), and strengthening partnerships (SDG 17). It promotes clean energy, technological innovation, resilient infrastructure, efficient resource use, and climate action, supporting the transition to sustainable energy systems. Full article

The current work investigates the intensification process of the biological oxidation (BO) of a pharmaceutical effluent using ultrasound (US)-based pretreatment methods. US, in combination with chemical oxidants, like hydrogen peroxide (H₂O₂), Fenton, potassium persulphate (KPS), and peroxone, was used as a pretreatment technique to enhance the efficacy of BO, as BO alone could only bring about 16.67% COD reduction. The application of US under the optimized conditions of a 70% duty cycle, 120W of power, pH 2, and at a 30 °C temperature resulted in 12.3% COD reduction after 60 min, whereas its combination with oxidants at optimized loadings resulted in a higher COD reduction of 20% for H₂O₂ (2000 ppm), 23.08% for Fenton (1:1 Fe:H₂O₂), and 30.77% for the US + peroxone approach (400 mg/h of ozone with 2000 ppm H₂O₂). The pretreated samples did not produce any toxic by-products, as confirmed by a toxicity analysis using the agar well diffusion method. A cow-dung-based sludge was acclimatised specifically for use in BO. The treatment time for BO was set to 8 h, and the US + peroxone-pretreated samples showed a maximum overall COD reduction of 60%, which is about three times that observed with only BO. This work clearly demonstrates the enhancement of the biodegradation of a complex recalcitrant pharmaceutical effluent using a US-based pretreatment. Full article

The emergence of GaN-based micro-LEDs has revolutionized display technologies due to their superior brightness, energy efficiency, and thermal stability compared to traditional counterparts. However, the development of red-emitting micro-LEDs on silicon substrates (GaN-on-Si) faces significant challenges, among them including hydrogen-induced deactivation of p-GaN caused by hydrogen species generated from SiH₄ decomposition during SiO₂ passivation layer growth, which degrades device performance. This study systematically investigates the use of high-density metal-oxide dielectric passivation layers deposited by atomic layer deposition (ALD), specifically Al₂O₃ and HfO₂, to mitigate these effects and enhance device reliability. The passivation layers effectively suppress hydrogen diffusion and preserve p-GaN activation, ensuring improved ohmic contact formation and reduced forward voltage, which is measured by the probe station. The properties of the epitaxial layer and the cross-section morphology of the dielectric layer were characterized by photoluminescence (PL) and scanning electron microscopy (SEM), respectively. Experimental results reveal that Al₂O₃ exhibits superior thermal stability and lower current leakage under high-temperature annealing, while HfO₂ achieves higher light-output power (LOP) and efficiency under increased current densities. Electroluminescence (EL) measurements confirm that the passivation strategy maintains the intrinsic optical properties of the epitaxial wafer with minimal impact on Wp and FWHM across varying process conditions. The findings demonstrate the efficacy of metal-oxide dielectric passivation in addressing critical challenges in InGaN red micro-LED on silicon substrate fabrication, contributing to accelerating scalable and efficient next-generation display technologies. Full article

Two new Cu(II) (CP1) and Co(II) (CP2) coordination polymers (CPs) with the triazole ligand 5-methyl-1-(pyridin-4-yl-methyl)-1H-1,2,3-triazole-4-carboxylate (L1) have been synthesized and structurally characterized by SCXRD (Single Crystal X-Ray Difraccion), PXRD (Power X-Ray Difracction), FT-IR (Fourier Transform Infrared), TG (Theermo Gravimetric), and electrochemical techniques. Both CPs were obtained at the water/n-butanol interface by reacting nitrate salts of each metal with the NaL1 ligand. SCXRD analysis revealed that CP1 (Coordination Polymer 1) and CP2 (Coordination Polymer 2) crystallize in the monoclinic space groups C2/c (No. 15) and P2₁/n (No. 14), respectively, forming 1D zigzag chain structures, which further lead to a 2D supramolecular network through O-H⋯O and C-H⋯O hydrogen bond interactions, respectively. In CP1, the supramolecular structure is assembled by hydrogen bonds involving water molecules. In contrast, CP2 forms its supramolecular network mainly through hydrogen bonds between adjacent triazole ligand molecules. Hirshfeld surface analysis revealed that the most significant contributions to the crystal packing come from H⋯O/O⋯H, H⋯H, H⋯N/N⋯H, and H⋯C/C⋯H interactions. In addition, FT-IR provided information on the functional groups involved in the coordination, while the decomposition patterns of both CPs were evaluated by TGA. Electrochemical studies conducted in a saline environment showed that CP1 exhibits superior hydrogen evolution reaction (HER) kinetics compared to CP2, as evidenced by a higher exchange current density and a lower Tafel slope. Density functional theory calculations and experimental bandgap measurements provided a deeper understanding of the electronic properties influencing the electrochemical behavior. The results highlight the potential of CP1 as an efficient catalyst for HER under saline conditions. Full article

Palladium-doped silver nanoclusters (NCs) have been highlighted for their unique physicochemical properties and potential applications in catalysis, optics, and electronics. Anion-directed synthesis offers a powerful route to control the morphology and properties of these NCs. Herein, we report a novel Pd-doped Ag NC, [Pd(H)Ag₁₃(S){S₂P(OⁱPr)₂}₁₀] (PdHAg₁₃S), synthesized through the inclusion of sulfide and hydride anions. This NC features a unique linear S-Pd-H axis enclosed in a 4-5-4 stacked arrangement of silver atoms. The distinctive hydride environment was characterized by NMR spectroscopy, and the total structure was determined by single-crystal X-ray diffraction (SCXRD) and supported by computational studies. Mass spectrometry and X-ray photoelectron spectroscopy (XPS) further confirmed the assigned composition. This unique construct exhibits promising hydrogen evolution reaction (HER) activity. Our findings highlight the potential of anion-directed synthesis for creating novel bimetallic NCs with tailored structures and catalytic properties. Full article

The increasing global population and urbanization have led to significant challenges in waste management, particularly concerning vacuum blackwater (VBW), which is the wastewater generated from vacuum toilets. Traditional treatment methods, such as landfilling and composting, often fall short in terms of efficiency and sustainability. Anaerobic digestion (AD) has emerged as a promising alternative, offering benefits such as biogas production and digestate generation. However, the performance of AD can be influenced by various factors, including the composition of the feedstock, pH levels, and the presence of inhibitors. This review investigates the effects of calcium oxide (CaO)-modified biochar (BC) as an additive in AD of VBW. Modifying BC with CaO enhances its alkalinity, nutrient retention, and adsorption capacity, creating a more favorable environment for microorganisms and promoting biogas production, which serves as a valuable source of heat, fuel and electricity. Additionally, the digestate can be processed through plasma pyrolysis to ensure the complete destruction of pathogens while promoting resource utilization. Plasma pyrolysis operates at extremely high temperatures, effectively sterilizing the digestate and eliminating both pathogens and harmful contaminants. This process not only guarantees the safety of the end products, but also transforms organic materials into valuable outputs such as syngas and slag. The syngas produced is a versatile energy carrier that can be utilized as a source of hydrogen, electricity, and heat, making it a valuable resource for various applications, including fuel cells and power generation. Furthermore, the slag has potential for reuse as an additive in the AD process or as a biofertilizer to enhance soil properties. This study aims to provide insights into the benefits of using modified BC as a co-substrate in AD systems. The findings will contribute to the development of more sustainable and efficient waste management strategies, addressing the challenges associated with VBW treatment while promoting renewable energy production. Full article

In the context of dual-carbon goals, it is essential to coordinate low-carbon policies and technologies. As a promising approach for clean energy integration, the combined heat–power–hydrogen virtual power plant (CHP-H VPP) effectively consolidates electricity, heat, and hydrogen to meet increasing energy demands and reduce carbon emissions. To this end, this paper proposes an optimal scheduling method for CHP-H VPPs based on a stepped carbon trading mechanism. First, at the low-carbon technology level, a CHP-H VPP architecture is constructed, incorporating thermal power units, hydrogen-doped gas turbines, hydrogen-doped gas boilers, and two-stage power-to-gas (P2G) systems. Second, at the policy level, a stepped carbon trading model is established to constrain system carbon emissions and an optimization model is formulated to minimize operating costs and emissions. Finally, a particle swarm optimization (PSO) algorithm with linearly decreasing constraints is employed to refine solution accuracy and accelerate convergence by progressively narrowing the search space and guiding the algorithm toward optimal solutions. Simulation results demonstrate that the proposed model enhances both the economic performance and carbon-reduction capabilities of the system; the simulation results also show that the proposed model effectively improves economic returns by reducing operating costs and enhancing carbon-reduction capacity, with a 7% reduction in run time. Full article

Agricultural water scarcity has become a global issue. Optimizing irrigation water quality and effectively utilizing non-conventional water resources are essential strategies to alleviate pressure on agricultural water use and achieve sustainable development. This study employed Italian lettuce as the test crop to explore the effects of magnetization treatment (M) at a magnetic field strength of 0.2 T and various irrigation water sources (T) on its growth. The following six treatments were established: fresh water irrigation (M0T1), recycled water irrigation (M0T2), saline water irrigation (M0T3), magnetized fresh water irrigation (M1T1), magnetized recycled water irrigation (M1T2), and magnetized saline water irrigation (M1T3). The results showed that the magnetization treatment increased the electrical conductivity (EC), power of hydrogen (pH), and dissolved oxygen (DO) of the three water sources compared to the non-magnetized treatment. Furthermore, magnetized irrigation with fresh water, recycled water, and saline water increased the contents of nitrogen (N), potassium (K), calcium (Ca), and magnesium (Mg) in lettuce. It also led to increases in the contents of soluble proteins (by 9.27% to 22.25%), soluble sugars (by 13.45% to 20.50%), and vitamin C (VitC) (by 4.18% to 19.33%) in lettuce. Additionally, it enhanced the above-ground fresh weight of lettuce (by 9.36% to 8.81%) and water productivity (WPc) (by 5.85% to 10.40%), while reducing water consumption. Among these treatments, magnetized fresh water irrigation was the most effective in improving quality, fresh weight, and WPc, followed by magnetized recycled water. Gene expression analysis revealed that differentially expressed genes (DEGs) were primarily enriched in metabolic pathways such as the MAPK signaling pathway—plant, phytohormone signaling, and cysteine and methionine metabolism. In summary, magnetized irrigation significantly enhanced DO levels in irrigation water, along with the fresh weight, quality, and WPc of lettuce, demonstrating its effectiveness as an efficient method for agricultural irrigation. Full article

The deepening implementation of the energy and carbon market imposes trading requirements on multiple regional integrated energy system participants, including power generation plants, industrial users, and carbon capture, utilization, and storage (CCUS) facilities. Their diverse roles in different markets strengthen the interconnections among these subsystems. On the other hand, the operation of CCUS, containing carbon capture (CS), power-to-hydrogen (P2H), and power-to-gas (P2G), results in the coupling of regional carbon reduction costs with the operation of electricity and hythane networks. In this paper, we propose a regional economic dispatching model of an integrated energy system. The markets are organized in a centralized form, and their clearing conditions are considered. CCUS is designed to inject hydrogen or natural gas into hythane networks, operating more flexibly. A generalized Nash game is applied to analyze the multiple trading equilibria of different entities. Simulations are carried out to derive a different market equilibrium regarding network scales, seasonal load shifts, and the ownership of CCUS. Simulation results in a 39-bus/20-node coupled network indicate that the regional average carbon prices fluctuate from ¥1078.82 to ¥1519.03, and the organization of independent CCUS is more preferred under the proposed market structure. Full article