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31 pages, 1995 KB  
Article
Hydrogen Production from Blended Waste Biomass: Pyrolysis, Thermodynamic-Kinetic Analysis and AI-Based Modelling
by Sana Kordoghli, Abdelhakim Settar, Oumayma Belaati, Mohammad Alkhatib, Khaled Chetehouna and Zakaria Mansouri
Hydrogen 2026, 7(1), 43; https://doi.org/10.3390/hydrogen7010043 - 20 Mar 2026
Abstract
This work contributes to advancing sustainable energy and waste management strategies by investigating the thermochemical conversion of food-based biomass through pyrolysis, highlighting the role of artificial intelligence (AI) in enhancing process modelling accuracy and optimization efficiency. The main objective is to explore the [...] Read more.
This work contributes to advancing sustainable energy and waste management strategies by investigating the thermochemical conversion of food-based biomass through pyrolysis, highlighting the role of artificial intelligence (AI) in enhancing process modelling accuracy and optimization efficiency. The main objective is to explore the potential of underutilized biomass resources like spent coffee grounds (SCGs) and DSs (date seeds) for sustainable hydrogen production. Specifically, it aims to optimize the pyrolysis process while evaluating the performance of these resources both individually and as blends. Proximate, ultimate, fibre, TGA/DTG, kinetic, thermodynamic, and Py-Micro-GC analyses were conducted for pure DS, SCG, and blends (75% DS-25% SCG, 50%DS-50%SCG, 25%DS–75%SCG). Blend 3 offered superior hydrogen yield potential but had the highest activation energy (Ea: 313.24 kJ/mol), while Blend 1 exhibited the best activation energy value (Ea: 161.75 kJ/mol). The kinetic modelling based on isoconversional methods (KAS, FWO, and Friedman) identified KAS as the most accurate. These approaches work together to provide a detailed understanding of the pyrolysis process with a particular emphasis on the integration of artificial intelligence (AI). An LSTM model trained with lignocellulosic data predicted TGA curves with exceptional accuracy (R2: 0.9996–0.9998). Full article
12 pages, 1282 KB  
Article
Impact of Cathode Surface Area on Gas–Liquid Mass Transfer and Acetate Production Efficiency in H2-Mediated Microbial Electrosynthesis from CO2
by Yuhan Guo, Menglong Zhao, Yan Yi, Jiahao Cao, Bingyan Wang, Hong Zhang, Wenfang Cai, Kai Cui, Sunil A. Patil and Kun Guo
Hydrogen 2026, 7(1), 42; https://doi.org/10.3390/hydrogen7010042 - 20 Mar 2026
Abstract
Hydrogen-mediated microbial electrosynthesis (MES) of chemicals from CO2 relies on effective gas–liquid transfer at the cathode interface, yet the extent to which cathode surface area regulates acetate productivity remains insufficiently quantified. In this study, three identical MES reactors equipped with stainless-steel cathodes [...] Read more.
Hydrogen-mediated microbial electrosynthesis (MES) of chemicals from CO2 relies on effective gas–liquid transfer at the cathode interface, yet the extent to which cathode surface area regulates acetate productivity remains insufficiently quantified. In this study, three identical MES reactors equipped with stainless-steel cathodes of different geometric areas (8 × 1, 8 × 4, and 8 × 16 cm2) were operated at a constant electric current of 0.3 A. The largest cathode significantly accelerated hydrogen mass transfer (kLa = 0.592 h−1), reaching dissolution equilibrium within 3 min, which was nearly twice as fast as the smallest electrode. Upon inoculation with enriched acetate-producing microbial consortia, the 8 × 16 cm2cathode reactor fed with CO2 achieved the highest steady-state acetate concentration of 32 g·L−1 produced at a rate of 2.12 g·L−1·d−1, with 94% hydrogen utilization, and 59% coulombic efficiency. In contrast, smaller electrodes exhibited rapid bubble detachment and reduced residence time, thereby limiting microbial gas uptake, and resulting in low acetate productivity. These findings demonstrate that cathode surface area is a key engineering lever controlling both hydrogen availability and electron recovery efficiency in H2-driven MES. The results provide practical guidance for electrode design and scale-up of CO2-to-acetate bioconversion via the MES process. Full article
29 pages, 1464 KB  
Article
Selection of P2X Technical Routes for Integrated Energy Production Units Based on Technical and Economic Analysis
by Yuqing Wang, Qian Liu, Jiayi Yu, Min Tang and Yani Yang
Processes 2026, 14(6), 995; https://doi.org/10.3390/pr14060995 - 20 Mar 2026
Abstract
In pursuit of energy decarbonization and supply security, the integrated energy production unit (IEPU) is regarded as a notable multi-technology energy production model integrating coal-fired power, carbon capture, and renewable energy. As a core component of the IEPU, Power-to-X (P2X) technology encompasses various [...] Read more.
In pursuit of energy decarbonization and supply security, the integrated energy production unit (IEPU) is regarded as a notable multi-technology energy production model integrating coal-fired power, carbon capture, and renewable energy. As a core component of the IEPU, Power-to-X (P2X) technology encompasses various technical routes with distinct economic performance and technological maturity at different development stages. Thus, selecting the most techno-economically optimal route is critical. In view of this, this paper proposes an integrated decision-making framework for the selection of P2X technology routes in IEPU, which combines “technology selection—economic analysis—risk assessment”. Firstly, a decision model for key P2X processes is established, with the levelized cost of hydrogen and unit hydrogen conversion revenue as core performance metrics to identify the optimal technology combination for hydrogen production and utilization. Secondly, integrating the aforementioned optimized technical route, a life-cycle economic benefit evaluation model is constructed for IEPU retrofit projects to systematically assess the overall economic feasibility of the IEPU project. Thirdly, an investment risk assessment model for P2X-integrated IEPU retrofits is established based on interval number theory, which can quantify project risks under fluctuations of critical parameters such as electricity and carbon prices. Finally, a case study of a 600 MW coal-fired unit retrofit demonstrates that “alkaline electrolysis + methane synthesis” constitutes the optimal P2X technology combination. However, its profitability is relatively sensitive to fluctuations in external market parameters, necessitating the implementation of corresponding risk management strategies. Full article
38 pages, 3628 KB  
Article
Optimization Model of an Integrated Energy System Operation Considering the Utilization of Hydrogen Energy and the Coupling of Carbon-Green Certificates Trading
by Chenguang Li, Feng Liang, Dawei Liu, Yang Liu, Xiufeng Xie and Yao Tao
Sustainability 2026, 18(6), 3065; https://doi.org/10.3390/su18063065 (registering DOI) - 20 Mar 2026
Abstract
The energy system is transforming in clean, low-carbon, safe, and efficient directions. As a key carrier of energy consumption, the operation optimization of the integrated energy system (IES) in industrial parks has become an important lever for facilitating energy transformation. This paper focuses [...] Read more.
The energy system is transforming in clean, low-carbon, safe, and efficient directions. As a key carrier of energy consumption, the operation optimization of the integrated energy system (IES) in industrial parks has become an important lever for facilitating energy transformation. This paper focuses on the modeling of the operation optimization of the IES, pays attention to the impact of electricity–carbon–green certificate coordination, and studies the operation optimization of the IES considering hydrogen energy utilization. Firstly, the topological structure of IES is analyzed, and a model of the integrated energy system in industrial parks covering multiple energy links, such as electricity, heat, and gas, is constructed. Hydrogen energy conversion units such as electrolyzers, fuel cells, and methane reactors are introduced. Secondly, the impact of electricity, carbon, and green certificate markets on the operation of IES is analyzed, and a green certificate-carbon trading integration mechanism is designed, along with the establishment of a corresponding market trading model. Then, with the system’s energy purchase and sale costs, electricity curtailment costs, carbon market transaction costs, green certificate transaction revenues, and equipment operation and maintenance costs as the core, an IES daily optimization scheduling model is constructed to minimize the overall cost. Finally, the feasibility of the model constructed in this paper is verified through a case study in the industrial park in the north of Dezhou, Shandong Province, and the result shows that the cost of IES is 15,013.7 yuan under the optimal operation schedule. The utilization rate of new power energy reaches 89.6%, and the 2.135 green certificates are converted into the carbon market. Meanwhile, comparative analysis across multiple scenarios and sensitivity analysis of single factors are conducted to discuss the necessity and effectiveness of the factors considered in this paper, providing a decision-making basis and inspiration for managers to carry out IES operation scheduling. Full article
(This article belongs to the Special Issue Analysis of Energy Systems from the Perspective of Sustainability)
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16 pages, 1800 KB  
Article
Synergistic Mechanisms and Product Regulation in the Co-Pyrolysis of Biomass and Food Packaging Waste: A Study Based on Reaction Kinetics and GHG Calculation
by Gang Li, Xingyang Lai, Jue Gong, Tong Zhang, Ke Xu, Zhengyang Feng and Xiaolong Yao
Foods 2026, 15(6), 1098; https://doi.org/10.3390/foods15061098 - 20 Mar 2026
Abstract
To address the mounting environmental burden caused by solid waste from the food supply chain—specifically agricultural residues and plastic packaging—this study systematically investigated the synergistic mechanisms and product regulation pathways in the co-pyrolysis of four representative food processing by-products—rice husk, pine wood, corn [...] Read more.
To address the mounting environmental burden caused by solid waste from the food supply chain—specifically agricultural residues and plastic packaging—this study systematically investigated the synergistic mechanisms and product regulation pathways in the co-pyrolysis of four representative food processing by-products—rice husk, pine wood, corn stover, and chestnut shell—with polypropylene, a common food packaging material. A comprehensive methodology integrating thermogravimetric analysis, kinetic modeling, and product characterization was employed. The results demonstrate that incorporating polypropylene into co-pyrolysis systems, such as those involving waste oil, significantly reduces the average activation energy, indicating a catalytic effect that enhances reaction kinetics. Notably, the co-catalytic interaction between corn stover and PP led to a substantial 54.90% reduction in oxygen content, underscoring PP’s role as an effective hydrogen donor that promotes deoxygenation and free radical reactions, thereby increasing hydrocarbon production. At an optimal pyrolysis temperature of 600 °C, product distribution was effectively regulated: the hydrocarbon yield in the CP (corn stover/PP) system increased from 39.8% to a maximum of 65.6%, reflecting a targeted conversion of oxygenated compounds into high-value hydrocarbons. Furthermore, greenhouse gas (GHG) emission calculation and techno-economic analyses indicate that a natural gas-assisted co-pyrolysis process (Scenario C) can generate a net daily profit of 1835 RMB while reducing annual CO2 emissions by 6515 tons, demonstrating both economic feasibility and environmental benefits. This study provides a theoretical foundation for the circular economy in the food industry, offering a viable technical pathway for the simultaneous treatment of organic food waste and packaging plastics, thereby supporting the sustainable development of the agri-food sector. Full article
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21 pages, 2132 KB  
Article
Experimental Evaluation of CO2 Absorption and Thermophysical Properties of TBAB-Based Deep Eutectic Solvents with Amine and Acid Donors
by Siddharth Atal, Sonam Sharma, Amit Kumar Gomey, Syed Saim Ali, Rakesh Kumar, Deepak Dwivedi and Bhupendra Pratap Singh
C 2026, 12(1), 28; https://doi.org/10.3390/c12010028 - 20 Mar 2026
Abstract
Carbon dioxide emissions from fossil fuel burning remains a severe environmental challenge that needs to be addressed. Deep eutectic solvents (DESs) have emerged as promising alternatives to conventional alkanolamines for CO2 capture applications due to their lower volatility and reduced corrosion potential. [...] Read more.
Carbon dioxide emissions from fossil fuel burning remains a severe environmental challenge that needs to be addressed. Deep eutectic solvents (DESs) have emerged as promising alternatives to conventional alkanolamines for CO2 capture applications due to their lower volatility and reduced corrosion potential. In this work, two tetrabutylammonium bromide (TBAB)-based systems were synthesized using different hydrogen bond donors: 2-amino-2-methyl-1-propanol (AMP) at a 1:1 molar ratio and p-toluenesulfonic acid (PTSA) at a 1:2 molar ratio. FTIR spectroscopic analysis confirmed that TBAB-AMP (1:1) forms a true DES through hydrogen bonding interactions, whereas TBAB-PTSA (1:2) undergoes proton transfer to form an ionic salt. CO2 solubility measurements were conducted using the pressure drop method up to 15 bar at 30 °C. The TBAB-AMP system exhibited a CO2 uptake of 0.194 mol CO2/mol DES at 14.7 bar, approximately 2.5-fold higher than the TBAB-PTSA system, which achieved 0.079 mol/mol at 14.5 bar. Critical and thermophysical properties were estimated using the modified Lydersen–Joback–Reid, Lee–Kesler, and Haghbakhsh group-contribution methods. Viscosity measurements conducted from 30 to 50 °C revealed that TBAB-AMP exhibited significantly lower viscosity, ranging from 163 to 46 mPa·s, compared to TBAB-PTSA, which showed viscosity values between 536 and 155 mPa·s. The superior CO2 capture performance of the amine-functionalized DES was attributed to favorable hydrogen-bonding interactions, lower viscosity, which enabled better mass transfer, and enhanced chemical affinity toward CO2 through carbamate formation. Full article
(This article belongs to the Section Carbon Cycle, Capture and Storage)
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14 pages, 3150 KB  
Article
Microwave Pretreatment of Soybeans Prior to Soaking Enhances Mechanical and Rehydration Properties of Yuba
by Weiyu Li, Siyu Zhan, Ke Sun, Chunli Song and Jian Ren
Foods 2026, 15(6), 1094; https://doi.org/10.3390/foods15061094 - 20 Mar 2026
Abstract
Microwave pretreatment of native soybeans in the preparation of yuba remains underexplored, and the impact of this treatment on the resulting yuba quality is still unclear. In this study, soybeans were subjected to microwave pretreatment for 30–120 s before conventional soaking. CLSM revealed [...] Read more.
Microwave pretreatment of native soybeans in the preparation of yuba remains underexplored, and the impact of this treatment on the resulting yuba quality is still unclear. In this study, soybeans were subjected to microwave pretreatment for 30–120 s before conventional soaking. CLSM revealed soybean microstructural changes, including cell-wall degradation and improved dispersion of proteins and lipids. FTIR and SDS-PAGE results of yuba indicated that hydrogen bond cleavage and the formation of new cross-links reduced protein coiling and polar group exposure, while stabilizing aliphatic chains, ultimately yielding a stronger and more compact yuba network structure. Mechanical and rehydration results further indicated that microwave treatment positively affected yuba quality. The 90 s pretreatment was identified as the optimal condition, exhibiting the highest elongation at break (126.36% increase) and rehydration capacity, along with improved color attributes, including higher lightness (L*) and yellowness (b*) values. These changes are likely attributable to disulfide-mediated protein reorganization, which creates greater spatial availability and thereby facilitates lipid incorporation. This study elucidates how microwave pretreatment drives the reorganization of soybean protein and lipid components, thereby influencing their distribution during film formation and providing a foundation for the tailored design of yuba with targeted mechanical properties. Full article
(This article belongs to the Section Food Engineering and Technology)
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20 pages, 5021 KB  
Article
Dissolvable Microneedle Delivery of a Replication-Deficient Orthopoxvirus Vaccine: Formulation Screening and Immunogenicity Evaluation for Monkeypox Prevention
by Bin Wang, Kehui Wang, Zhiyao Xu, Weihua Liu, Xianhuang Li, Linhao Li, Renhui Zhou, Xingyue Du, Jin Jin, Yaqing Xu, Rihui Qin, Xiong Liu, Dayang Zou and Wei Liu
Vaccines 2026, 14(3), 276; https://doi.org/10.3390/vaccines14030276 - 20 Mar 2026
Abstract
Background: The global spread of monkeypox virus (MPXV) highlights an urgent need for thermostable and easily administrable vaccines. Current orthopoxvirus vaccines are limited by cold-chain dependence and inconvenient injection-based delivery. Objectives: This study aimed to develop a dissolvable microneedle (DMN) vaccine against monkeypox [...] Read more.
Background: The global spread of monkeypox virus (MPXV) highlights an urgent need for thermostable and easily administrable vaccines. Current orthopoxvirus vaccines are limited by cold-chain dependence and inconvenient injection-based delivery. Objectives: This study aimed to develop a dissolvable microneedle (DMN) vaccine against monkeypox based on a replication-deficient orthopoxvirus platform, through systematic formulation screening, stabilization mechanism exploration, and rigorous in vivo immunogenicity evaluation. Methods: A film-based approach was adopted for efficient, high-throughput formulation screening and thermostability assessment. NTV was mixed with excipients and dried into solid films. Stability was monitored via RT-qPCR after storage at 4 °C to 40 °C. The lead formulation was physically characterized, then used to fabricate MVA-BN-loaded DMN patches, which were further evaluated for in vivo immunogenicity via immunization in BALB/c mice. Results: The optimal formulation F2 (containing dextran, L-threonine, and BSA/HSA) showed a potency loss of only ~1 log10 after 2 months at 25 °C, and <1 log10 loss after 1 week at 37 °C. SEM revealed a porous virus-entrapment morphology, and FTIR indicated enhanced hydrogen bonding between the virus and the dextran matrix. The formulation was successfully manufactured into DMNs that dissolved within 5 min. In mice, these DMNs elicited robust MPXV-specific IgG and neutralizing antibody responses, with immunogenicity comparable to that induced by conventional intramuscular injection. Conclusions: This study successfully established a thermostable formulation and dissolvable microneedle delivery platform for replication-deficient orthopoxvirus vaccines against monkeypox. The optimized DMN vaccine induced robust MPXV-specific immune responses in mice with immunogenicity comparable to intramuscular injection, addressing the core limitations of current vaccines and providing a promising solution for monkeypox prevention. Full article
(This article belongs to the Section Vaccine Design, Development, and Delivery)
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18 pages, 6946 KB  
Article
Packing Geometry and Polymer Material Effects on Sealing of a PN650 Hydrogen Service Needle Valve: Vacuum/Helium Leak Screening and 650 Bar Hydrogen Cycling
by Enric Palau Forte and Francesc Medina Cabello
Hydrogen 2026, 7(1), 41; https://doi.org/10.3390/hydrogen7010041 - 20 Mar 2026
Abstract
External leakage from valve stem packings is a critical safety and reliability issue in high-pressure hydrogen systems. This work aims to quantify how packing geometry and polymer selection influence stem sealing in a PN650 needle valve (316L body and stem). Two geometries were [...] Read more.
External leakage from valve stem packings is a critical safety and reliability issue in high-pressure hydrogen systems. This work aims to quantify how packing geometry and polymer selection influence stem sealing in a PN650 needle valve (316L body and stem). Two geometries were compared: a conical V-ring (chevron style) stack and a flat three-disc stack. Two polymer material sets were assessed: Vespel® polyimide (SP-1/SP-21) and a glass-filled PTFE sealing element combined with a virgin PEEK back-up ring. Four assemblies (one per geometry/material combination) were first screened by hydrostatic pressure hold testing up to 1500 bar and by helium mass spectrometer leak measurements under vacuum. All assemblies sustained the hydrostatic overpressure hold with negligible decay. Vacuum helium screening produced leak rates between 3.7 × 10−10 and 9.5 × 10−10 mbar·l·s−1, with the conical V-ring geometry consistently outperforming the disc stack. A more demanding helium test at 700 bar with external vacuum yielded leak rates of 3.6–3.7 × 10−8 mbar·l·s−1, for conical assemblies. Based on the screening results and practical industrial considerations, the PTFE/PEEK conical configuration was selected for endurance testing and completed 2500 open/close cycles in 650 bar hydrogen without gland readjustment. Post-cycling checks confirmed continued tightness, including a qualitative helium pressure hold result near 700 bar and 0 bubbles in 10 min in the seat tightness test. Microscopy/EDX revealed limited wear with minor metallic transfer. The proposed multi-stage workflow provides a pragmatic route for the early qualification of stem packings for high-pressure hydrogen valves. Full article
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17 pages, 2180 KB  
Article
Preparation and Identification of Corn-Derived Bioactive Peptides with Triple Efficacy of ADH-Activating, XOD-Inhibiting and Antioxidant Activity
by Zifan Yuan, Wenfei Zhang, Jiajie Chang, Yunlong Chen, Yinglian Zhu, Qi Wang and Qingli Yang
Foods 2026, 15(6), 1093; https://doi.org/10.3390/foods15061093 - 20 Mar 2026
Abstract
The health risks associated with excessive alcohol consumption have emerged as a public health challenge, with alcohol-associated liver disease (ALD) and hyperuricemia (HUA) being particularly prominent health issues. Current treatments often have side effects, driving the need for safe, multi-target natural alternatives. Based [...] Read more.
The health risks associated with excessive alcohol consumption have emerged as a public health challenge, with alcohol-associated liver disease (ALD) and hyperuricemia (HUA) being particularly prominent health issues. Current treatments often have side effects, driving the need for safe, multi-target natural alternatives. Based on the dual barrier strategy of “metabolic regulation–antioxidant defense”, this study developed bioactive peptides from corn germ meal via enzymatic hydrolysis, which simultaneously activated alcohol dehydrogenase (ADH), inhibited xanthine oxidase (XOD), and exhibited antioxidative properties. The fraction <3 kDa emerged with stronger triple bioactivity while also demonstrating sensitivity to strong acids and enhanced activity under trypsin treatment in in vitro stability tests. A total of 841 unique peptides were obtained from purified peptide fractions. After computer-aided screening and molecular docking, three corn-derived peptides (LMFP, FEGLFR, and QLPSYR) were identified, which acted synergistically. Docking simulations revealed that they bind to ADH and XOD via hydrogen bonds and hydrophobic interactions, suggesting potential interactions with these enzymes that may influence their activity. The corn-derived bioactive peptides developed in this study may serve as potential resources for alleviating alcohol metabolism and hyperuricemia symptoms. Full article
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23 pages, 1681 KB  
Article
Structural, Barrier, and Mechanical Enhancement of Pectin–Alginate Biocomposite Films Reinforced with Alkali-Treated Rice-Husk Fiber
by Beatriz Timoteo-Cruz, Raymundo Sánchez-Orozco, José J. García-Sánchez, Carlos M. Cruz-Segundo, Lina A. Bernal-Martínez and Salomon R. Vasquez-Garcia
J. Compos. Sci. 2026, 10(3), 169; https://doi.org/10.3390/jcs10030169 - 20 Mar 2026
Abstract
In this study, rice-husk fiber (RHF) extracted via alkali hydrolysis was used as a reinforcing material (0–10 wt%) in a pectin-sodium alginate (PE/SA) matrix to develop biofilms by the casting method. These biofilms were characterized by using FTIR, XRD, TGA, and DSC. The [...] Read more.
In this study, rice-husk fiber (RHF) extracted via alkali hydrolysis was used as a reinforcing material (0–10 wt%) in a pectin-sodium alginate (PE/SA) matrix to develop biofilms by the casting method. These biofilms were characterized by using FTIR, XRD, TGA, and DSC. The thickness, moisture content, water solubility, swelling behavior, water-contact angle, water-vapor permeability, optical transparency, and mechanical properties of biofilms were investigated. It was observed that the PE/SA/RHF film loaded with 5% RHF had better visual attributes, and a further increase in reinforcement was not found to be as favorable. The addition of 10 wt% RHF significantly enhanced the thickness from 0.094 to 0.127 mm, water solubility from 49.25 to 56.13%, water-contact angle from 48.4 to 62.6°, and tensile strength from 4.17 to 10.23 MPa. However, decreases in water-vapor permeability from 1.94 × 10−9 to 1.32 × 10−9 g·m−1·Pa−1·s−1 and in elongation at break from 19.24 to 2.87% were observed in the biofilms. Structurally, FTIR confirmed intermolecular hydrogen bonding between components. XRD revealed that the films remained predominantly amorphous, without significant crystalline alterations. Furthermore, thermal stability improved with the addition of RHF. Finally, these PE/SA/RHF composite films may be potential eco-friendly biodegradable packaging candidates for food industry applications. Full article
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16 pages, 288 KB  
Article
Descriptor-Guided Selection of Extracellular Vesicle Loading Strategies for Small-Molecule Drug Delivery: A Mechanistically Interpretable Decision-Support Framework
by Romána Zelkó and Adrienn Kazsoki
Pharmaceutics 2026, 18(3), 384; https://doi.org/10.3390/pharmaceutics18030384 - 20 Mar 2026
Abstract
Background: Extracellular vesicles (EVs) are increasingly explored as nanocarriers in drug delivery; however, selecting an appropriate loading strategy for a given small-molecule cargo still relies largely on empirical, resource-intensive parallel screening within EV formulation workflows. Despite the widespread application of passive incubation, electroporation, [...] Read more.
Background: Extracellular vesicles (EVs) are increasingly explored as nanocarriers in drug delivery; however, selecting an appropriate loading strategy for a given small-molecule cargo still relies largely on empirical, resource-intensive parallel screening within EV formulation workflows. Despite the widespread application of passive incubation, electroporation, saponin-mediated permeabilization, freeze–thaw cycling, and sonication, there is currently no mechanistically grounded, descriptor-informed framework that enables rational prioritization of loading methods during the early design stage of EV-based dosage forms, leading to inefficient trial-and-error experimentation. Methods: We assembled a chemically diverse dataset of 21 compounds with experimentally determined loading efficiencies across five EV loading methods and calculated seven mechanistically motivated physicochemical descriptors (LogP, molecular weight, aqueous solubility, hydrogen bond donors/acceptors, polar surface area, and formal charge) for each drug. Separate Elastic Net regression models were trained for each loading strategy. Model performance was evaluated using leave-one-out cross-validation, a predefined external validation set (n = 4), and 50 repeated random train–test splits. The analysis emphasized decision-level ranking of loading methods rather than the precise prediction of absolute efficiencies. The applicability domain was assessed via leverage analysis to define the supported chemical space for prospective implementation in EV-based formulation development. Results: As anticipated for biologically heterogeneous EV systems, continuous regression performance remained modest (LOOCV R2 = 0.06–0.41). In contrast, decision-level accuracy for identifying the experimentally optimal loading method was consistently high across validation schemes (internal: 76.5%; predefined external: 75%; repeated random validation: 80.5 ± 16.8%). Mechanical disruption methods (freeze–thaw and sonication) demonstrated comparatively greater predictive stability, while misclassification patterns suggested potential nonlinear behavior for highly polar, ionizable cargos. All compounds resided within the leverage-defined applicability domain, confirming adequate descriptor-space representation. Conclusions: This study establishes a mechanistically interpretable, descriptor-based decision-support framework capable of reliably prioritizing EV loading strategies for small-molecule cargos beyond empirical chance without altering standard protocols. By reframing the modeling objective from high-precision efficiency prediction to robust ranking of candidate methods, the approach offers a practical tool to triage between commonly used techniques, thereby reducing experimental burden in early-stage EV formulation development. The framework provides a quantitative basis for integrating molecular-descriptor-guided method selection into rational EV-based drug delivery design and can be expanded with membrane-specific descriptors and larger datasets. Full article
(This article belongs to the Section Drug Delivery and Controlled Release)
15 pages, 2122 KB  
Article
Ammonia Cracking over Sn-Co Molten Alloys in a Bubble Column Reactor
by Jonghwi Park, Sungwan Kwon, Jihun Kim, Ryun Na Kim, Jongkyu Kang, Young Jae Lee, Dahin Kim, Uendo Lee and Whi Dong Kim
Catalysts 2026, 16(3), 277; https://doi.org/10.3390/catal16030277 - 20 Mar 2026
Abstract
Ammonia has emerged as a strategically advantageous hydrogen carrier; however, its efficient decomposition using conventional solid catalysts remains technically challenging from an industrial standpoint, particularly in terms of long-term stability and large-scale implementation. In this study, we propose a strategy for ammonia cracking [...] Read more.
Ammonia has emerged as a strategically advantageous hydrogen carrier; however, its efficient decomposition using conventional solid catalysts remains technically challenging from an industrial standpoint, particularly in terms of long-term stability and large-scale implementation. In this study, we propose a strategy for ammonia cracking by utilizing Sn-based molten metal alloys in a bubble column reactor, which provides a sintering-resistant and thermally efficient catalytic platform. Among various candidate transition metals, the Sn-Co alloy exhibited the most superior catalytic performance, demonstrating a significant reduction in the apparent activation energy to 52.6 kJ/mol. To the best of our knowledge, this study provides the first experimental evidence of the catalytic role of molten metals in the ammonia decomposition process. Structural characterization confirmed that the molten alloy maintains its metallic state without the formation of nitrides, verifying the function of the molten metal as an active catalyst rather than a sacrificial reagent. This work offers a new catalytic approach that addresses the requirements for the commercialization of ammonia cracking through improved scalability and chemical durability. Full article
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26 pages, 876 KB  
Article
Impact of Dry and Rainy Seasons on the Chemical Profile and Antioxidant Activity of Lippia alba Essential Oil
by Rodrigo Dias Alves, João Pedro Bauman Quieregati, Julia Samara Pereira de Souza, Maria Helena Brandão-Silva, Ariana Pereira da Silva, Katia Castanho Scortecci, Jacqueline do Carmo Barreto and Hugo Alexandre Oliveira Rocha
Molecules 2026, 31(6), 1035; https://doi.org/10.3390/molecules31061035 - 20 Mar 2026
Abstract
Seasonal environmental conditions can modulate the chemical composition and biological activity of essential oils from medicinal plants. This study investigated the phytochemical profile, antioxidant potential, cytotoxic activity, and cytoprotective effects of Lippia alba essential oils collected during dry and rainy seasons. Gas chromatography [...] Read more.
Seasonal environmental conditions can modulate the chemical composition and biological activity of essential oils from medicinal plants. This study investigated the phytochemical profile, antioxidant potential, cytotoxic activity, and cytoprotective effects of Lippia alba essential oils collected during dry and rainy seasons. Gas chromatography analysis revealed that all samples preserved a citral chemotype. Principal Component Analysis (PCA) confirmed citral as the primary discriminant metabolite, while quantitative seasonal variations were mainly associated with minor oxygenated monoterpenes, particularly geraniol, carvone, and nerolidol. The essential oil obtained during the rainy season (A5T–RS) exhibited significantly higher antioxidant activity, as determined by 2,2-diphenyl-1-picrylhydrazyl (DPPH), reducing power, total antioxidant capacity, and hydrogen peroxide scavenging assays. Intracellular reactive oxygen species (ROS) evaluation using the 2′,7′-dichlorodihydrofluorescein diacetate (DCFH-DA) method demonstrated that both oils reduced oxidative stress in murine fibroblasts—L929, with enhanced cytoprotective effects observed for A5T–RS. Cytotoxicity assays against non-tumor (murine fibroblast-NIH/3T3, L929, Chinese hamster ovary—CHO-K1) and tumor (human cervical carcinoma—HeLa, and human hepatocellular carcinoma—HepG2) cell lines revealed selective antiproliferative activity, with tumor cells displaying greater sensitivity, particularly to the rainy-season oil. These results demonstrate that seasonal metabolomic modulation enhances the biological performance of L. alba essential oil without altering its chemotypic identity, highlighting the importance of environmental factors in the development of bioactive plant-derived products. Full article
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Article
Fuel Switching Strategies for Decarbonising the Glass Industry Using Renewable Energy and Hydrogen-Based Solutions
by Lorenzo Miserocchi and Alessandro Franco
Energies 2026, 19(6), 1529; https://doi.org/10.3390/en19061529 - 19 Mar 2026
Abstract
This study addresses the decarbonisation of the glass industry from an integrated energy system perspective, analysing the role of renewable electricity, furnace electrification, and hydrogen in meeting the high and continuous thermal demands of glass melting. While direct electrification represents the most energy-efficient [...] Read more.
This study addresses the decarbonisation of the glass industry from an integrated energy system perspective, analysing the role of renewable electricity, furnace electrification, and hydrogen in meeting the high and continuous thermal demands of glass melting. While direct electrification represents the most energy-efficient option, its implementation is challenged by the intermittent nature and limited operating hours of renewable generation, scale constraints, and technological limitations in replacing fossil-based processes, highlighting a potential complementary role for hydrogen. A general methodological framework is first developed and then applied to a representative oxyfuel glass furnace using mixed-integer linear programming (MILP) optimisation that minimises melting costs while accounting for variable solar and wind generation, battery storage, and hydrogen production and storage. The results show that high levels of furnace electrification combined with wind-dominated renewable supply yield the lowest decarbonisation costs, which can become negative at moderate decarbonisation levels. Under the current solar–wind capacity expansion mix, the integration of battery and hydrogen storage extends achievable emission reductions from around 50% to 80%, with hydrogen acting as a complementary solution to electrification. Sensitivity analysis of energy and carbon prices, as well as technology investment costs, identifies the economic conditions in which storage-based solutions become cost-effective, highlighting the strategic role of hydrogen under conditions of low electricity prices and high fuel prices. The findings demonstrate viable pathways for deep decarbonisation of the glass sector and provide a transferable methodological framework for optimal renewable energy integration in other hard-to-abate industrial sectors facing similar constraints. Full article
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