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27 pages, 851 KiB  
Article
From Lemon Market to Managed Market: How Flagship Entry Reshapes Sellers’ Composition in the Online Market
by Liang Ping, Yanying Chen and Qianhui Yu
J. Theor. Appl. Electron. Commer. Res. 2025, 20(3), 208; https://doi.org/10.3390/jtaer20030208 (registering DOI) - 8 Aug 2025
Abstract
With the rapid development of e-commerce, ensuring product quality on online platforms has become increasingly important, especially in developing countries where market regulations are still underdeveloped. By treating different sellers offering the same brand’s products as an industry, this study examines the impact [...] Read more.
With the rapid development of e-commerce, ensuring product quality on online platforms has become increasingly important, especially in developing countries where market regulations are still underdeveloped. By treating different sellers offering the same brand’s products as an industry, this study examines the impact of flagship store entry on online product quality by constructing a multiple period difference-in-difference model and conducts detailed empirical tests using full-category and large-span data from Taobao. The empirical results demonstrate that flagship store entry not only prompts the exit of incumbent sellers and deters potential new entrants due to the competition effect, but also facilitates the exit of low-quality sellers while attracting high-quality sellers as a result of a consumer-learning effect. Consequently, the overall quality of the industry is improved, and this effect is more pronounced in high-priced and durable goods industries. The findings of this study have important implications for market structure design and online quality governance in online marketplaces. Full article
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18 pages, 307 KiB  
Article
Who Is Manipulating Corporate Wallets Amid the Ever-Changing Circumstances? Digital Clues, Information Truths and Risk Mysteries
by Cheng Tao, Roslan Ja’afar and Wan Mohd Hirwani Wan Hussain
J. Theor. Appl. Electron. Commer. Res. 2025, 20(3), 206; https://doi.org/10.3390/jtaer20030206 - 7 Aug 2025
Abstract
Digital transformation (DT) has emerged as a key strategic lever for enhancing firm resilience and competitiveness, yet its influence on non-productive investment behaviors, such as corporate financial investment, remains underexplored. Existing studies have largely focused on DT’s role in innovation and operational efficiency, [...] Read more.
Digital transformation (DT) has emerged as a key strategic lever for enhancing firm resilience and competitiveness, yet its influence on non-productive investment behaviors, such as corporate financial investment, remains underexplored. Existing studies have largely focused on DT’s role in innovation and operational efficiency, leaving a significant gap in understanding how DT reshapes firms’ financial asset allocation. Drawing on a unique panel dataset of A-share main board-listed firms in China from 2011 to 2023, this study provides novel empirical evidence that DT significantly restrains financial investment, with pronounced heterogeneity across ownership types. More importantly, this paper uncovers a multi-layered mechanism: DT enhances the corporate information environment, which subsequently reduces financial investment. In addition, the analysis reveals a moderated mediation mechanism wherein economic uncertainty dampens the information-enhancing effect of DT. Unlike previous research that treats corporate risk-taking as a parallel mediator, this study identifies a sequential mediation pathway, where improved information environments suppress financial investment indirectly by influencing firms’ risk-taking behavior. These findings offer new theoretical insights into the financial implications of DT and contribute to the broader understanding of enterprise behavior in the context of digitalization and economic volatility. Full article
19 pages, 1835 KiB  
Article
Methods for Enhancing Energy and Resource Efficiency in Sunflower Oil Production: A Case Study from Bulgaria
by Penka Zlateva, Angel Terziev, Nikolay Kolev, Martin Ivanov, Mariana Murzova and Momchil Vasilev
Eng 2025, 6(8), 195; https://doi.org/10.3390/eng6080195 - 6 Aug 2025
Abstract
The rising demand for energy resources and industrial goods presents significant challenges to sustainable development. Sunflower oil, commonly utilized in the food sector, biofuels, and various industrial applications, is notably affected by this demand. In Bulgaria, it serves as a primary source of [...] Read more.
The rising demand for energy resources and industrial goods presents significant challenges to sustainable development. Sunflower oil, commonly utilized in the food sector, biofuels, and various industrial applications, is notably affected by this demand. In Bulgaria, it serves as a primary source of vegetable fats, ranking second to butter in daily consumption. The aim of this study is to evaluate and propose methods to improve energy and resource efficiency in sunflower oil production in Bulgaria. The analysis is based on data from an energy audit conducted in 2023 at an industrial sunflower oil production facility. Reconstruction and modernization initiatives, which included the installation of high-performance, energy-efficient equipment, led to a 34% increase in energy efficiency. The findings highlight the importance of adjusting the technological parameters such as temperature, pressure, grinding level, and pressing time to reduce energy use and operational costs. Additionally, resource efficiency is improved through more effective raw material utilization and waste reduction. These strategies not only enhance the economic and environmental performance of sunflower oil production but also support sustainable development and competitiveness within the industry. The improvement reduces hexane use by approximately 2%, resulting in energy savings of 12–15 kWh/t of processed seeds and a reduction in CO2 emissions by 3–4 kg/t, thereby improving the environmental profile of sunflower oil production. Full article
(This article belongs to the Special Issue Interdisciplinary Insights in Engineering Research)
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21 pages, 1368 KiB  
Article
Liquid-Phase Hydrogenation over a Cu/SiO2 Catalyst of 5-hydroximethylfurfural to 2,5-bis(hydroxymethyl)furan Used in Sustainable Production of Biopolymers: Kinetic Modeling
by Juan Zelin, Hernán Antonio Duarte, Alberto Julio Marchi and Camilo Ignacio Meyer
Sustain. Chem. 2025, 6(3), 22; https://doi.org/10.3390/suschem6030022 - 6 Aug 2025
Abstract
2,5-bis(hydroxymethy)lfuran (BHMF), a renewable compound with extensive industrial applications, can be obtained by selective hydrogenation of the C=O group of 5-hydroxymethylfurfural (HMF), a platform molecule derived from lignocellulosic biomass. In this work, we perform kinetic modeling of the selective liquid-phase hydrogenation of HMF [...] Read more.
2,5-bis(hydroxymethy)lfuran (BHMF), a renewable compound with extensive industrial applications, can be obtained by selective hydrogenation of the C=O group of 5-hydroxymethylfurfural (HMF), a platform molecule derived from lignocellulosic biomass. In this work, we perform kinetic modeling of the selective liquid-phase hydrogenation of HMF to BHMF over a Cu/SiO2 catalyst prepared by precipitation–deposition (PD) at a constant pH. Physicochemical characterization, using different techniques, confirms that the Cu/SiO2–PD catalyst is formed by copper metallic nanoparticles of 3–5 nm in size highly dispersed on the SiO2 surface. Before the kinetic study, the Cu/SiO2-PD catalyst was evaluated in three solvents: tetrahydrofuran (THF), 2-propanol (2-POH), and water. The pattern of catalytic activity and BHMF yield for the different solvents was THF > 2-POH > H2O. In addition, selectivity to BHF was the highest in THF. Thus, THF was chosen for further kinetic study. Several experiments were carried out by varying the initial HMF concentration (C0HMF) between 0.02 and 0.26 M and the hydrogen pressure (PH2) between 200 and 1500 kPa. In all experiments, BHMF selectivity was 97–99%. By pseudo-homogeneous modeling, an apparent reaction order with respect to HFM close to 1 was estimated for a C0HMF between 0.02 M and 0.065 M, while when higher than 0.065 M, the apparent reaction order changed to 0. The apparent reaction order with respect to H2 was nearly 0 when C0HMF = 0.13 M, while for C0HMF = 0.04 M, it was close to 1. The reaction orders estimated suggest that HMF is strongly absorbed on the catalyst surface, and thus total active site coverage is reached when the C0HMF is higher than 0.065 M. Several Langmuir–Hinshelwood–Hougen–Watson (LHHW) kinetic models were proposed, tested against experimental data, and statistically compared. The best fitting of the experimental data was obtained with an LHHW model that considered non-competitive H2 and HMF chemisorption and strong chemisorption of reactant and product molecules on copper metallic active sites. This model predicts both the catalytic performance of Cu/SiO2-PD and its deactivation during liquid-phase HMF hydrogenation. Full article
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17 pages, 2046 KiB  
Article
Characterization of Natural Products as Inhibitors of Shikimate Dehydrogenase from Methicillin-Resistant Staphylococcus aureus: Kinetic and Molecular Dynamics Simulations, and Biological Activity Studies
by Noé Fabián Corral-Rodríguez, Valeria Itzel Moreno-Contreras, Erick Sierra-Campos, Mónica Valdez-Solana, Jorge Cisneros-Martínez, Alfredo Téllez-Valencia and Claudia Avitia-Domínguez
Biomolecules 2025, 15(8), 1137; https://doi.org/10.3390/biom15081137 - 6 Aug 2025
Abstract
Antibiotic resistance is considered to be one of the most complex health obstacles of our time. Methicillin-resistant Staphylococcus aureus (MRSA) represents a global health challenge due to its broad treatment resistance capacity, resulting in high mortality rates. The shikimate pathway (SP) is responsible [...] Read more.
Antibiotic resistance is considered to be one of the most complex health obstacles of our time. Methicillin-resistant Staphylococcus aureus (MRSA) represents a global health challenge due to its broad treatment resistance capacity, resulting in high mortality rates. The shikimate pathway (SP) is responsible for the biosynthesis of chorismate from glycolysis and pentose phosphate pathway intermediates. This pathway plays a crucial role in producing aromatic amino acids, folates, ubiquinone, and other secondary metabolites in bacteria. Notably, SP is absent in humans, which makes it a specific and potential therapeutic target to explore for discovering new antibiotics against MRSA. The present study characterized in vitro and in silico natural products as inhibitors of the shikimate dehydrogenase from methicillin-resistant S. aureus (SaSDH). The results showed that, from the set of compounds studied, phloridzin, rutin, and caffeic acid were the most potent inhibitors of SaSDH, with IC50 values of 140, 160, and 240 µM, respectively. Furthermore, phloridzin showed a mixed-type inhibition mechanism, whilst rutin and caffeic acid showed non-competitive mechanisms. The structural characterization of the SaSDH–inhibitor complex indicated that these compounds interacted with amino acids from the catalytic site and formed stable complexes. In biological activity studies against MRSA, caffeic acid showed an MIC of 2.2 mg/mL. Taken together, these data encourage using these compounds as a starting point for developing new antibiotics based on natural products against MRSA. Full article
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21 pages, 3623 KiB  
Article
Research on the Main Influencing Factors and Variation Patterns of Basal Area Increment (BAI) of Pinus massoniana
by Zhuofan Li, Cancong Zhao, Jun Lu, Jianfeng Yao, Yanling Li, Mengli Zhou and Denglong Ha
Sustainability 2025, 17(15), 7137; https://doi.org/10.3390/su17157137 - 6 Aug 2025
Abstract
Understanding the environmental drivers of radial growth in the Pinus massoniana (lamb.) is essential for improving forest productivity and carbon sequestration in subtropical ecosystems. This study used the basal area increment (BAI) as an indicator of radial growth to investigate the main factors [...] Read more.
Understanding the environmental drivers of radial growth in the Pinus massoniana (lamb.) is essential for improving forest productivity and carbon sequestration in subtropical ecosystems. This study used the basal area increment (BAI) as an indicator of radial growth to investigate the main factors affecting the radial growth rate of P. massoniana and the changes in BAI with these factors. A total of 58 high quality tree ring series were analyzed. Six common methods were used to comprehensively analyze the importance of nine factor variables on the BAI, including tree age, competition index, average temperature, and so on. Generalized additive models (GAMs) were developed to explore the nonlinear relationships between each selected variable and the BAI. The results revealed the following: (1) Age and Competition Index was identified as the primary driving force; (2) BAI increased with Age when tree age was below 69 years; (3) from the overall trend, the BAI of P. massoniana decreased with the increase in the Competition Index. These findings provide a scientific basis for developing management plans for P. massoniana forests. Full article
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20 pages, 312 KiB  
Article
Pimelea and Its Toxicity: A Survey of Landholder Experiences and Management Practices
by Rashid Saleem, Shane Campbell, Mary T. Fletcher, Sundaravelpandian Kalaipandian and Steve W. Adkins
Toxins 2025, 17(8), 393; https://doi.org/10.3390/toxins17080393 - 6 Aug 2025
Abstract
Pimelea is one of the highly toxic plants in Australia, particularly affecting cattle. It contains simplexin, a potent toxin that can cause Pimelea poisoning (St. George Disease) in livestock. A survey was conducted to assess the current impact of Pimelea on livestock production, [...] Read more.
Pimelea is one of the highly toxic plants in Australia, particularly affecting cattle. It contains simplexin, a potent toxin that can cause Pimelea poisoning (St. George Disease) in livestock. A survey was conducted to assess the current impact of Pimelea on livestock production, pasture systems, and financial losses among agricultural producers. In addition, information was also sought about the environmental conditions that facilitate its growth and the effectiveness of existing management strategies. The survey responses were obtained from producers affected by Pimelea across nine different Local Government Areas, through three States, viz., Queensland, New South Wales, and South Australia. Pimelea was reported to significantly affect animal production, with 97% of producers surveyed acknowledging its detrimental effects. Among livestock, cattle were the most severely affected (94%), when compared to sheep (13%), goats (3%), and horses (3%). The presence of Pimelea was mostly observed in spring (65%) and winter (48%), although 29% of respondents indicated that it could be present all year-round under favorable rainfall conditions. Germination was associated with light to moderate rainfall (52%), while only 24% linked it to heavy rainfall. Pimelea simplex F. Muell. was the most frequently encountered species (71%), followed by Pimelea trichostachya Lindl. (26%). Infestations were reported to occur annually by 47% of producers, with 41% noting occurrences every 2 to 5 years. Financially, producers estimated average annual losses of AUD 67,000, with 50% reporting an average of 26 cattle deaths per year, reaching up to 105 deaths in severe years. Some producers were spending up to AUD 2100 per annum to manage Pimelea. While chemical and physical controls were commonly employed, integrating competitive pastures and alternative livestock, such as sheep and goats, was considered as a potential management strategy. This study reiterates the need for further research on sustainable pasture management practices to reduce Pimelea-related risks to livestock and agricultural production systems. Full article
(This article belongs to the Special Issue Plant Toxin Emergency)
32 pages, 1960 KiB  
Article
Parallel Export and Differentiated Production in the Supply Chain of New Energy Vehicles
by Lingzhi Shao, Ziqing Zhu, Haiqun Li and Xiaoxue Ding
Systems 2025, 13(8), 662; https://doi.org/10.3390/systems13080662 - 5 Aug 2025
Abstract
Considering the supply chain of new energy vehicles composed of a local manufacturer, an authorized distributor in the domestic market, and a competitive manufacturer in the export market, this paper studies three different cases of parallel export as well as their decisions about [...] Read more.
Considering the supply chain of new energy vehicles composed of a local manufacturer, an authorized distributor in the domestic market, and a competitive manufacturer in the export market, this paper studies three different cases of parallel export as well as their decisions about prices, sales scale, and the degree of production differentiation. Three game models are constructed and solved under the cases of no parallel exports (CN), authorized distributors’ parallel exports (CR), and third-party parallel exports (CT), respectively, and the equilibrium analysis is carried out, and finally, the influence of relevant parameters is explored through numerical simulation. It is found that (1) the manufacturer’s decisions on production and sales are influenced by the characteristics of consumer preferences in local and export markets, the cost of differentiated production, and the consumer recognition of parallel exports; (2) the manufacturers’ profits will always be damaged by parallel exports; (3) differentiated production can reduce the negative impact of parallel exports under certain conditions, and then improve the profits of manufacturers; (4) manufacturers can increase their profits by improving the purchase intention of consumers in the local market, improve the level of production differentiation in the export market, or reducing the cost of differentiation. Full article
(This article belongs to the Section Supply Chain Management)
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10 pages, 481 KiB  
Review
Bacterial–Fungal Interactions: Mutualism, Antagonism, and Competition
by Manyu Zhang, Yuwei Zhang, Zhengge Zhao, Feilong Deng, Hui Jiang, Ce Liu, Ying Li and Jianmin Chai
Life 2025, 15(8), 1242; https://doi.org/10.3390/life15081242 - 5 Aug 2025
Viewed by 51
Abstract
The interaction between bacteria and fungi is one of the key interactions of microbial ecology, including mutualism, antagonism, and competition, which profoundly affects the balance and functions of animal microbial ecosystems. This article reviews the interactive dynamics of bacteria and fungi in more [...] Read more.
The interaction between bacteria and fungi is one of the key interactions of microbial ecology, including mutualism, antagonism, and competition, which profoundly affects the balance and functions of animal microbial ecosystems. This article reviews the interactive dynamics of bacteria and fungi in more concerned microenvironments in animals, such as gut, rumen, and skin. Moreover, we summarize the molecular mechanisms and ecological functions of the interaction between bacteria and fungi. Three major bacterial–fungal interactions (mutualism, antagonism, and competition) are deeply discussed. Understanding of the interactions between bacteria and fungi allows us to understand, modulate, and maintain the community structure and functions. Furthermore, this summarization will provide a comprehensive perspective on animal production and veterinary medicine, as well as guide future research directions. Full article
(This article belongs to the Special Issue Gut Microbes Associating with the Host)
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31 pages, 6551 KiB  
Article
Optimization Study of the Electrical Microgrid for a Hybrid PV–Wind–Diesel–Storage System in an Island Environment
by Fahad Maoulida, Kassim Mohamed Aboudou, Rabah Djedjig and Mohammed El Ganaoui
Solar 2025, 5(3), 39; https://doi.org/10.3390/solar5030039 - 4 Aug 2025
Viewed by 311
Abstract
The Union of the Comoros, located in the Indian Ocean, faces persistent energy challenges due to its geographic isolation, heavy dependence on imported fossil fuels, and underdeveloped electricity infrastructure. This study investigates the techno-economic optimization of a hybrid microgrid designed to supply electricity [...] Read more.
The Union of the Comoros, located in the Indian Ocean, faces persistent energy challenges due to its geographic isolation, heavy dependence on imported fossil fuels, and underdeveloped electricity infrastructure. This study investigates the techno-economic optimization of a hybrid microgrid designed to supply electricity to a rural village in Grande Comore. The proposed system integrates photovoltaic (PV) panels, wind turbines, a diesel generator, and battery storage. Detailed modeling and simulation were conducted using HOMER Energy, accompanied by a sensitivity analysis on solar irradiance, wind speed, and diesel price. The results indicate that the optimal configuration consists solely of PV and battery storage, meeting 100% of the annual electricity demand with a competitive levelized cost of energy (LCOE) of 0.563 USD/kWh and zero greenhouse gas emissions. Solar PV contributes over 99% of the total energy production, while wind and diesel components remain unused under optimal conditions. Furthermore, the system generates a substantial energy surplus of 63.7%, which could be leveraged for community applications such as water pumping, public lighting, or future system expansion. This study highlights the technical viability, economic competitiveness, and environmental sustainability of 100% solar microgrids for non-interconnected island territories. The approach provides a practical and replicable decision-support framework for decentralized energy planning in remote and vulnerable regions. Full article
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14 pages, 379 KiB  
Essay
Is Platform Capitalism Socially Sustainable?
by Andrea Fumagalli
Sustainability 2025, 17(15), 7071; https://doi.org/10.3390/su17157071 - 4 Aug 2025
Viewed by 158
Abstract
This theoretical essay aims to analyze some of the socio-economic innovations introduced by Platform Capitalism Specifically, it focuses on two main aspects: first, the digital platform as a radical organizational innovation. Digital platforms represent a structural novelty in the market economy, signaling a [...] Read more.
This theoretical essay aims to analyze some of the socio-economic innovations introduced by Platform Capitalism Specifically, it focuses on two main aspects: first, the digital platform as a radical organizational innovation. Digital platforms represent a structural novelty in the market economy, signaling a new organization of production and labor. Second, the essay examines the role of platforms in directly generating value through the concept of “network value”. To this end, it explores the function of “business intelligence” as a strategic and competitive tool. Finally, the paper discusses the key issues associated with platform capitalism, which could threaten its social sustainability and contribute to economic and financial instability. These issues include the increasing commodification of everyday activities, the devaluation of paid labor in favor of free production driven by platform users (the so-called prosumers), and the emergence of proprietary and financial monopolies. Hence, digital platforms do not inherently ensure comprehensive social and environmental sustainability unless supported by targeted economic policy interventions. Conclusively, it is emphasized that defining robust social welfare frameworks—which account for emerging value creation processes—is imperative. Simultaneously, policymakers must incentivize the proliferation of cooperative platforms capable of fostering experimental circular economy models aligned with ecological sustainability. Full article
(This article belongs to the Section Economic and Business Aspects of Sustainability)
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25 pages, 30553 KiB  
Article
Optimizing Multi-Cluster Fracture Propagation and Mitigating Interference Through Advanced Non-Uniform Perforation Design in Shale Gas Horizontal Wells
by Guo Wen, Wentao Zhao, Hongjiang Zou, Yongbin Huang, Yanchi Liu, Yulong Liu, Zhongcong Zhao and Chenyang Wang
Processes 2025, 13(8), 2461; https://doi.org/10.3390/pr13082461 - 4 Aug 2025
Viewed by 225
Abstract
The persistent challenge of fracture-driven interference (FDI) during large-scale hydraulic fracturing in the southern Sichuan Basin has severely compromised shale gas productivity, while the existing research has inadequately addressed both FDI risk reductions and the optimization of reservoir stimulation. To bridge this gap, [...] Read more.
The persistent challenge of fracture-driven interference (FDI) during large-scale hydraulic fracturing in the southern Sichuan Basin has severely compromised shale gas productivity, while the existing research has inadequately addressed both FDI risk reductions and the optimization of reservoir stimulation. To bridge this gap, this study developed a mechanistic model of the competitive multi-cluster fracture propagation under non-uniform perforation conditions and established a perforation-based design methodology for the mitigation of horizontal well interference. The results demonstrate that spindle-shaped perforations enhance the uniformity of fracture propagation by 20.3% and 35.1% compared to that under uniform and trapezoidal perforations, respectively, with the perforation quantity (48) and diameter (10 mm) identified as the dominant control parameters for balancing multi-cluster growth. Through a systematic evaluation of the fracture communication mechanisms, three distinct inter-well types of FDI were identified: Type I (natural fracture–stress anisotropy synergy), Type II (natural-fracture-dominated), and Type III (stress-anisotropy-dominated). To mitigate these, customized perforation schemes coupled with geometry-optimized fracture layouts were developed. The surveillance data for the offset well show that the pressure interference decreased from 14.95 MPa and 6.23 MPa before its application to 0.7 MPa and 0 MPa, achieving an approximately 95.3% reduction in the pressure interference in the application wells. The expansion morphology of the inter-well fractures confirmed effective fluid redistribution across clusters and containment of the overextension of planar fractures, demonstrating this methodology’s dual capability to enhance the effectiveness of stimulation while resolving FDI challenges in deep shale reservoirs, thereby advancing both productivity and operational sustainability in complex fracturing operations. Full article
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16 pages, 1618 KiB  
Article
Multimodal Temporal Knowledge Graph Embedding Method Based on Mixture of Experts for Recommendation
by Bingchen Liu, Guangyuan Dong, Zihao Li, Yuanyuan Fang, Jingchen Li, Wenqi Sun, Bohan Zhang, Changzhi Li and Xin Li
Mathematics 2025, 13(15), 2496; https://doi.org/10.3390/math13152496 - 3 Aug 2025
Viewed by 294
Abstract
Knowledge-graph-based recommendation aims to provide personalized recommendation services to users based on their historical interaction information, which is of great significance for shopping transaction rates and other aspects. With the rapid growth of online shopping, the knowledge graph constructed from users’ historical interaction [...] Read more.
Knowledge-graph-based recommendation aims to provide personalized recommendation services to users based on their historical interaction information, which is of great significance for shopping transaction rates and other aspects. With the rapid growth of online shopping, the knowledge graph constructed from users’ historical interaction data now incorporates multiattribute information, including timestamps, images, and textual content. The information of multiple modalities is difficult to effectively utilize due to their different representation structures and spaces. The existing methods attempt to utilize the above information through simple embedding representation and aggregation, but ignore targeted representation learning for information with different attributes and learning effective weights for aggregation. In addition, existing methods are not sufficient for effectively modeling temporal information. In this article, we propose MTR, a knowledge graph recommendation framework based on mixture of experts network. To achieve this goal, we use a mixture-of-experts network to learn targeted representations and weights of different product attributes for effective modeling and utilization. In addition, we effectively model the temporal information during the user shopping process. A thorough experimental study on popular benchmarks validates that MTR can achieve competitive results. Full article
(This article belongs to the Special Issue Data-Driven Decentralized Learning for Future Communication Networks)
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16 pages, 1504 KiB  
Article
Tuning the Activity of NbOPO4 with NiO for the Selective Conversion of Cyclohexanone as a Model Intermediate of Lignin Pyrolysis Bio-Oils
by Abarasi Hart and Jude A. Onwudili
Energies 2025, 18(15), 4106; https://doi.org/10.3390/en18154106 - 2 Aug 2025
Viewed by 172
Abstract
Catalytic upgrading of pyrolysis oils is an important step for producing replacement hydrocarbon-rich liquid biofuels from biomass and can help to advance pyrolysis technology. Catalysts play a pivotal role in influencing the selectivity of chemical reactions leading to the formation of main compounds [...] Read more.
Catalytic upgrading of pyrolysis oils is an important step for producing replacement hydrocarbon-rich liquid biofuels from biomass and can help to advance pyrolysis technology. Catalysts play a pivotal role in influencing the selectivity of chemical reactions leading to the formation of main compounds in the final upgraded liquid products. The present work involved a systematic study of solvent-free catalytic reactions of cyclohexanone in the presence of hydrogen gas at 160 °C for 3 h in a batch reactor. Cyclohexanone can be produced from biomass through the selective hydrogenation of lignin-derived phenolics. Three types of catalysts comprising undoped NbOPO4, 10 wt% NiO/NbOPO4, and 30 wt% NiO/NbOPO4 were studied. Undoped NbOPO4 promoted both aldol condensation and the dehydration of cyclohexanol, producing fused ring aromatic hydrocarbons and hard char. With 30 wt% NiO/NbOPO4, extensive competitive hydrogenation of cyclohexanone to cyclohexanol was observed, along with the formation of C6 cyclic hydrocarbons. When compared to NbOPO4 and 30 wt% NiO/NbOPO4, the use of 10 wt% NiO/NbOPO4 produced superior selectivity towards bi-cycloalkanones (i.e., C12) at cyclohexanone conversion of 66.8 ± 1.82%. Overall, the 10 wt% NiO/NbOPO4 catalyst exhibited the best performance towards the production of precursor compounds that can be further hydrodeoxygenated into energy-dense aviation fuel hydrocarbons. Hence, the presence and loading of NiO was able to tune the activity and selectivity of NbOPO4, thereby influencing the final products obtained from the same cyclohexanone feedstock. This study underscores the potential of lignin-derived pyrolysis oils as important renewable feedstocks for producing replacement hydrocarbon solvents or feedstocks and high-density sustainable liquid hydrocarbon fuels via sequential and selective catalytic upgrading. Full article
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27 pages, 1081 KiB  
Article
Effect of Monomer Mixture Composition on TiCl4-Al(i-C4H9)3 Catalytic System Activity in Butadiene–Isoprene Copolymerization: A Theoretical Study
by Konstantin A. Tereshchenko, Rustem T. Ismagilov, Nikolai V. Ulitin, Yana L. Lyulinskaya and Alexander S. Novikov
Computation 2025, 13(8), 184; https://doi.org/10.3390/computation13080184 - 1 Aug 2025
Viewed by 104
Abstract
Divinylisoprene rubber, a copolymer of butadiene and isoprene, is used as raw material for rubber technical products, combining isoprene rubber’s elasticity and butadiene rubber’s wear resistance. These properties depend quantitatively on the copolymer composition, which depends on the kinetics of its synthesis. This [...] Read more.
Divinylisoprene rubber, a copolymer of butadiene and isoprene, is used as raw material for rubber technical products, combining isoprene rubber’s elasticity and butadiene rubber’s wear resistance. These properties depend quantitatively on the copolymer composition, which depends on the kinetics of its synthesis. This work aims to theoretically describe how the monomer mixture composition in the butadiene–isoprene copolymerization affects the activity of the TiCl4-Al(i-C4H9)3 catalytic system (expressed by active sites concentration) via kinetic modeling. This enables development of a reliable kinetic model for divinylisoprene rubber synthesis, predicting reaction rate, molecular weight, and composition, applicable to reactor design and process intensification. Active sites concentrations were calculated from experimental copolymerization rates and known chain propagation constants for various monomer compositions. Kinetic equations for active sites formation were based on mass-action law and Langmuir monomolecular adsorption theory. An analytical equation relating active sites concentration to monomer composition was derived, analyzed, and optimized with experimental data. The results show that monomer composition’s influence on active sites concentration is well described by a two-step kinetic model (physical adsorption followed by Ti–C bond formation), accounting for competitive adsorption: isoprene adsorbs more readily, while butadiene forms more stable active sites. Full article
(This article belongs to the Special Issue Feature Papers in Computational Chemistry)
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