Editor’s Choice Articles

Editor’s Choice articles are based on recommendations by the scientific editors of MDPI journals from around the world. Editors select a small number of articles recently published in the journal that they believe will be particularly interesting to readers, or important in the respective research area. The aim is to provide a snapshot of some of the most exciting work published in the various research areas of the journal.

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12 pages, 1655 KB  
Article
Two-Dimensional Multilayered Ferroelectric with Polarization-Boosted Photocatalytic Hydrogen Evolution
by Yu Peng, Liangyao Li, Yilin Xu, Xing Wang and Yu Hou
Catalysts 2025, 15(9), 910; https://doi.org/10.3390/catal15090910 - 18 Sep 2025
Viewed by 696
Abstract
Ferroelectric materials have attracted great attention for photocatalytic hydrogen (H2) evolution due to their internal depolarization fields that promote carrier separation and directional migration. However, conventional inorganic ferroelectrics often suffer from wide band gaps and low conductivity, limiting their solar-to-hydrogen conversion [...] Read more.
Ferroelectric materials have attracted great attention for photocatalytic hydrogen (H2) evolution due to their internal depolarization fields that promote carrier separation and directional migration. However, conventional inorganic ferroelectrics often suffer from wide band gaps and low conductivity, limiting their solar-to-hydrogen conversion efficiency. Here, we report a two-dimensional (2D) multilayered perovskite ferroelectric, [butylammonium]2[ethylammonium]2Pb3I10 (BAPI), which integrates robust spontaneous polarization (Ps) and excellent semiconductor properties to enable efficient photocatalysis. Under simultaneous light and ultrasonic excitation, BAPI/Pt (1 wt%) achieves a H2 evolution rate of 1256 μmol g−1 h−1, which is twice that under light alone, due to dynamic polarization modulation that mitigates ionic screening and enhances internal electric fields. Notably, this enhancement vanishes when BAPI transitions to a centrosymmetric, nonpolar phase at 323 K, confirming the critical role of Ps. These findings offer a new pathway toward high-performance ferroelectric photocatalysts for solar hydrogen production. Full article
(This article belongs to the Section Photocatalysis)
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20 pages, 3176 KB  
Article
Photocatalytic Mineralization of Emerging Organic Contaminants Using Real and Simulated Effluents in Batch and Membrane Photoreactors
by Cristina Lavorato, Angela Severino, Pietro Argurio, Raffaele Molinari, Beatrice Russo, Alberto Figoli and Teresa Poerio
Catalysts 2025, 15(9), 904; https://doi.org/10.3390/catal15090904 - 18 Sep 2025
Viewed by 672
Abstract
Conventional wastewater treatment plants (WWTPs) have limited efficiency in removing emerging pollutants (EPs), meaning these pollutants persist and lead to widespread ecological contamination. In this study, real effluents from a WWTP were characterized using TOC and Py-GC/MS, which indicated the presence of various [...] Read more.
Conventional wastewater treatment plants (WWTPs) have limited efficiency in removing emerging pollutants (EPs), meaning these pollutants persist and lead to widespread ecological contamination. In this study, real effluents from a WWTP were characterized using TOC and Py-GC/MS, which indicated the presence of various organic compounds that could be indicative of micro-nanoplastics (MNPs) or plastics additives. To address this challenge, we propose the use of a photocatalytic membrane reactor (PMR) as an advanced treatment system capable of achieving high degradation efficiency under mild operating conditions. Preliminary experimental tests were conducted using various commercial photocatalysts (TiO2, WO3, Nb2O5), four UV lamps, and oxidants (air, O2) using added Gemfibrozil (GEM) as a drug model compound. Real effluent samples collected from WWTP were tested with and without pretreatment to remove coarse particles prior to photocatalysis. Mineralization was achieved in both cases, but it occurred at a higher rate for the pretreated effluent. The mineralization of GEM and EPs in real effluent was achieved within five hours under UV irradiation using titanium dioxide (TiO2) as a low-cost photocatalyst in a PMR. The results highlight the potential of photocatalytic systems, and particularly PMRs, as a promising technology for removing recalcitrant pollutants in real effluents offering a viable solution for improved environmental protection. Full article
(This article belongs to the Special Issue 15th Anniversary of Catalysts—Recent Advances in Photocatalysis)
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14 pages, 2887 KB  
Article
Enhanced Oxygen Reduction Reaction Activity of Carbon-Supported Pt-Co Catalysts Prepared by Electroless Deposition and Galvanic Replacement
by Angeliki Banti, Ivalina Avramova, Sotiris Sotiropoulos and Jenia Georgieva
Catalysts 2025, 15(9), 895; https://doi.org/10.3390/catal15090895 - 17 Sep 2025
Viewed by 905
Abstract
The development of effective catalysts for the oxygen reduction reaction (ORR) is crucial for improving the performance of fuel cells. Efficient carbon-supported Pt-Co nanocatalysts were successfully prepared by a generic two-step method: (i) electroless deposition of a Co-P coating on Vulcan XC72R carbon [...] Read more.
The development of effective catalysts for the oxygen reduction reaction (ORR) is crucial for improving the performance of fuel cells. Efficient carbon-supported Pt-Co nanocatalysts were successfully prepared by a generic two-step method: (i) electroless deposition of a Co-P coating on Vulcan XC72R carbon powder and (ii) subsequent spontaneous partial galvanic replacement of Co by Pt, upon immersion of the Co/C precursor in a chloroplatinate solution. The prepared Pt-Co particles (of a core-shell structure) are dispersed on a Vulcan XC-72 support, forming agglomerates made of nanoparticles smaller than 10 nm. The composition and surface morphology of the samples were characterized by scanning electron microscopy and energy-dispersive X-ray spectroscopy (SEM/EDS) as well as transmission electron microscopy (TEM). The crystal structures of the Co-P/C precursor and Pt-Co/C catalyst were investigated by X-ray diffraction (XRD). XPS analysis was performed to study the chemical state of the surface layers of the precursor and catalyst. The electrochemical behavior of the Pt-Co/C composites was evaluated by cyclic voltammetry (CV). Linear sweep voltammetry (LSV) experiments were used to assess the catalytic activity towards the ORR and compared with that of a commercial Pt/C catalyst. The Pt-Co/C catalysts exhibit mass-specific and surface-specific activities (of jm = 133 mA mg−1 and jesa = 0.661 mA cm−2, respectively) at a typical overpotential value of 380 mV (+0.85 V vs. RHE); these are superior to those of similar electrodes made of a commercial Pt/C catalyst (jm = 50.6 mA mg−1; jesa = 0.165 mA cm−2). The beneficial effect of even small (<1% wt.%) quantities of Co in the catalyst on Pt ORR activity may be attributed to an optimum catalyst composition and particle size resulting from the proposed preparation method. Full article
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13 pages, 3298 KB  
Article
Maximally Exploiting the Fe2+ at the Interface of Micro and Nano Bubbles in the Fenton-Coupled Micro and Nano Bubble System for Organic Pollutant Degradation
by Qiongqiong He, Zhaoyang Song, Shaomeng Huang, Ruize Gao, Chao Han and Zhenyong Miao
Catalysts 2025, 15(9), 888; https://doi.org/10.3390/catal15090888 - 16 Sep 2025
Viewed by 634
Abstract
Heterocyclic compounds in high-salinity wastewater are highly resistant to degradation, posing significant treatment challenges. A hybrid micro-nano bubble Fenton system (FT-MNBs) was developed to enhance Fe2+ activation via interfacial effects. The FT-MNBs achieved a significantly higher indole degradation rate (0.0380 min−1 [...] Read more.
Heterocyclic compounds in high-salinity wastewater are highly resistant to degradation, posing significant treatment challenges. A hybrid micro-nano bubble Fenton system (FT-MNBs) was developed to enhance Fe2+ activation via interfacial effects. The FT-MNBs achieved a significantly higher indole degradation rate (0.0380 min−1) compared with micro and nano bubbles (MNBs) alone (0.0046 min−1) and conventional Fenton (0.01008 min−1). In real coking wastewater with a total dissolved solid (TDS) content of 3.266 g/L, FT-MNBs achieved COD removal efficiencies of 93.42% (initial COD 200 mg/L) and 72.54% (initial COD 10,000 mg/L), demonstrating excellent adaptability and efficiency in treating refractory high-salt organic wastewater. Electron spin resonance confirmed •OH as the main reactive species. Molecular simulations revealed that the MNB interface enhances the adsorption energy of Fe and H2O2, alters the Fe 3d orbital to better overlap with the O–O 2p orbital, and increases electron density—thus promoting O–O bond cleavage and free radical generation. The FT-MNBs not only enhances reaction kinetics but also offer scalability and energy efficiency, showing great potential for advanced industrial wastewater treatment. Full article
(This article belongs to the Section Catalytic Reaction Engineering)
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20 pages, 3592 KB  
Article
One-Pot Synthesis of Sustainable Aviation Fuel from Brown Grease Using Multifunctional Zeolite-Supported Catalysts
by Clara Mongelli, Great Umenweke, Tyler St Clair, Gilles Caboche, Olivier Heintz, Robert Pace and Eduardo Santillan-Jimenez
Catalysts 2025, 15(9), 873; https://doi.org/10.3390/catal15090873 - 12 Sep 2025
Viewed by 755
Abstract
The most viable way to decarbonize aviation in the near term is through Sustainable Aviation Fuel (SAF), most of which is currently produced via the deoxygenation of fats, oils, and greases (FOG) followed by a separate isomerization step. Multifunctional zeolite-supported catalysts offer several [...] Read more.
The most viable way to decarbonize aviation in the near term is through Sustainable Aviation Fuel (SAF), most of which is currently produced via the deoxygenation of fats, oils, and greases (FOG) followed by a separate isomerization step. Multifunctional zeolite-supported catalysts offer several advantages over existing formulations, such as enabling the use of waste FOG streams, performing their deoxygenation via decarboxylation/decarbonylation (deCOx), and effecting the synthesis of SAF in one-pot. Previous work has shown that while supported Ni-Cu catalysts can afford excellent results in the conversion of waste FOG to fuel-like hydrocarbons via deCOx, zeolitic materials represent promising supports in formulations employed for the synthesis of SAF. In this contribution, catalysts involving different zeolitic supports and the same Ni-Cu active phase were prepared, characterized, and tested in the conversion of brown grease to SAF to identify the carrier affording the best results. A Ni-Cu/ZSM-5 catalyst displayed the highest conversion and yield of SAF-like hydrocarbons relative to formulations supported on ZSM-22, SAPO-11, or SAPO-34 (these catalysts being referred to herein as NCZSM-5, NCZSM-22, NCSAPO-11, and NCSAPO-34). Full article
(This article belongs to the Special Issue Research Advances in Zeolites and Zeolite-Based Catalysts)
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28 pages, 2387 KB  
Article
Synthesis and Catalytic Activity of Cu-Co/CeO2 Catalysts in the Hydrogenation of Furfural to Pentanediols
by Rocío Maderuelo-Solera, Juan Antonio Cecilia-Buenestado, Francisco Vila, Rafael Mariscal, Pedro Jesús Maireles-Torres and Ramón Moreno-Tost
Catalysts 2025, 15(9), 872; https://doi.org/10.3390/catal15090872 - 11 Sep 2025
Viewed by 914
Abstract
This study presents a comprehensive characterization of monometallic (Co or Cu) and bimetallic (Co-Cu) catalysts supported on cerium oxide (CeO2). XRD and TEM analyses revealed that crystallinity decreases after reduction and that metal dispersion is highly dependent on composition, with cobalt [...] Read more.
This study presents a comprehensive characterization of monometallic (Co or Cu) and bimetallic (Co-Cu) catalysts supported on cerium oxide (CeO2). XRD and TEM analyses revealed that crystallinity decreases after reduction and that metal dispersion is highly dependent on composition, with cobalt exhibiting greater dispersion than copper. The results confirmed a strong interaction between the metals and CeO2, which alters the ceria structure and facilitates the reduction of the metal oxides. H2-TPR and XPS data indicated that monometallic and the bimetallic 15Cu15Co catalysts achieved nearly complete reduction, whereas other bimetallic catalysts did not. Furthermore, CO chemisorption and H2-TPD demonstrated that the hydrogen activation capacity correlates with the degree of catalyst reduction. Notably, bimetallic catalysts did not show enhanced hydrogen activation compared to their monometallic counterparts. This suggests that the dispersion and metal–support interaction are more critical factors for catalytic activity in this system than the formation of metal alloys. Although the furfural conversion was complete, the selectivity depended greatly on the catalyst composition. The 30Co_R catalyst was most selective for 1,5-pentanediol (38.4%), the 30Cu_R catalyst for 1,2-pentanediol (22.1%), and the bimetallic catalysts for THFA. Reutilising the 30Co_R catalyst after five catalytic cycles resulted in a gradual reduction in the selectivity of 1,5-pentanediol. Full article
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17 pages, 3449 KB  
Article
Structure of Cu, Ni, and CuNi Bimetallic Small Clusters Incorporated in g-C3N4: A DFT Study
by Agnieszka Drzewiecka-Matuszek, Priti Sharma and Dorota Rutkowska-Zbik
Catalysts 2025, 15(9), 861; https://doi.org/10.3390/catal15090861 - 6 Sep 2025
Viewed by 900
Abstract
Graphitic carbon nitride is recognized as a very promising support structure to anchor single atoms and small, sub-nanometric metal clusters, with vast applications in catalysis. In the current manuscript, we aim to study the geometry and electronic structures of the small, sub-nanometric monometallic [...] Read more.
Graphitic carbon nitride is recognized as a very promising support structure to anchor single atoms and small, sub-nanometric metal clusters, with vast applications in catalysis. In the current manuscript, we aim to study the geometry and electronic structures of the small, sub-nanometric monometallic (copper or nickel) and bimetallic (copper–nickel) clusters anchored to the graphitic carbon nitride. Our Density Functional Theory (DFT) study reveals that Cu and Ni, when in the form of isolated single atoms, lie in the plane of the support. Once the atoms agglomerate and form small clusters, they tend to bind above the carbon nitride (C3N4) plane. The nickel atoms form shorter bonds with the support than the copper atoms do, which is reflected by the binding energies. Atoms directly bound to the support become oxidized, forming electrophilic sites at the surface. The computed negative metal–support binding energies mean that the investigated Cu/Ni-C3N4 composites are stable, and the metal species will not easily leach from the support. Full article
(This article belongs to the Special Issue Catalysis Accelerating Energy and Environmental Sustainability)
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33 pages, 2728 KB  
Review
Advances in Chitosanase Research: From Structure and Function to Green Biocatalytic Production of Chitooligosaccharides
by Oanh Thi Kim Nguyen, Parushi Nargotra, Po-Ting Chen, Chwen-Jen Shieh, Yung-Chuan Liu and Chia-Hung Kuo
Catalysts 2025, 15(9), 863; https://doi.org/10.3390/catal15090863 - 6 Sep 2025
Viewed by 1006
Abstract
Chitosanases are glycoside hydrolases (GHs) that catalyze the endo- or exo-type cleavage of β-1,4-glycosidic linkages in chitosan, enabling the selective production of chitooligosaccharides (COSs) with well-defined structures and diverse bioactivities. Owing to their substrate specificity and environmentally friendly catalytic action, chitosanases have garnered [...] Read more.
Chitosanases are glycoside hydrolases (GHs) that catalyze the endo- or exo-type cleavage of β-1,4-glycosidic linkages in chitosan, enabling the selective production of chitooligosaccharides (COSs) with well-defined structures and diverse bioactivities. Owing to their substrate specificity and environmentally friendly catalytic action, chitosanases have garnered increasing attention as sustainable biocatalysts for COS production, with broad application potential in agriculture, food, medicine, and cosmetics. This review provides a comprehensive overview of recent advances in chitosanase research, focusing on the catalytic mechanisms and structure–function relationships that govern substrate selectivity and functional divergence across different GH families. Microbial diversity and heterologous expression systems for chitosanase production are discussed in parallel with biochemical characterization to support the rational selection of enzymes for specific biotechnological applications. Advances in protein engineering and computational approaches are highlighted as strategies to improve catalytic efficiency, substrate range, and stability. In addition, bioprocess optimization is addressed, with emphasis on fermentation using low-cost substrates and the application of immobilized enzymes and nano-biocatalyst systems for green and efficient COS production. Summarizing and discussing previous findings are essential to support future research and facilitate the development of next-generation chitosanases for sustainable industrial use. Full article
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31 pages, 2847 KB  
Article
Effects of Crystallinity and Pore Architecture of Titanium Silicalites on α-Pinene Oxidation
by Jadwiga Grzeszczak, Agnieszka Wróblewska and Beata Michalkiewicz
Catalysts 2025, 15(9), 860; https://doi.org/10.3390/catal15090860 - 5 Sep 2025
Viewed by 765
Abstract
Titanium silicalite-1 (TS-1) is an effective catalyst, but its limited pore size restricts the access of bulky substrates such as α-pinene. In our previous studies, a TS-1 catalyst with a Si/Ti molar ratio of 20:1 demonstrated high activity in α-pinene oxidation but suffered [...] Read more.
Titanium silicalite-1 (TS-1) is an effective catalyst, but its limited pore size restricts the access of bulky substrates such as α-pinene. In our previous studies, a TS-1 catalyst with a Si/Ti molar ratio of 20:1 demonstrated high activity in α-pinene oxidation but suffered from diffusion limitations. To overcome this drawback, four new titanium silicate catalysts were synthesized using the reference TS-1 as the parent material (TS-1 catalyst with the Si/Ti molar ratio of 20:1). MTS-1_1 and MTS-1_2 were prepared via a co-templating method, while HTS-1_1 and HTS-1_2 were obtained through post-synthetic recrystallization using triethylamine (method I) or sulfuric acid followed by triethylamine (method II). All catalysts were characterized by UV–Vis, FTIR, XRD, SEM, EDXRF, and nitrogen sorption, and their activity was tested in solvent-free oxidation of α-pinene using molecular oxygen. The influence of temperature, catalyst content, and reaction time on the conversion of α-pinene and the selectivities of the main products was investigated. All modified materials exhibited higher catalytic activity than the reference TS-1 material. HTS-1_2 showed the best results, achieving the conversion of α-pinene of 21 mol% and the selectivity of transformation to α-pinene oxide of 35 mol%. Verbenol and verbenone were also formed as valuable oxygenated products. The developed catalysts enable a green and efficient transformation of renewable α-pinene into high-value derivatives. Full article
(This article belongs to the Special Issue Feature Papers in "Industrial Catalysis" Section, 2nd Edition)
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15 pages, 3221 KB  
Article
Investigation on Pt-WO3 Catalytic Interface for the Hydrodeoxygenation of Anisole
by Wanru Yan, Jiating Li, Nan Ma, Zemin An, Yuanjie Xu, Lizhi Wu, Li Tan and Yu Tang
Catalysts 2025, 15(9), 859; https://doi.org/10.3390/catal15090859 - 5 Sep 2025
Viewed by 901
Abstract
As a model compound for lignin derivatives, anisole and its conversion are crucial for the upgrading of biomass resources. Anisole molecule contains a characteristic aryl ether bond (Caryl-O-CH3); therefore, the selective cleavage of the C-O bond to efficiently produce [...] Read more.
As a model compound for lignin derivatives, anisole and its conversion are crucial for the upgrading of biomass resources. Anisole molecule contains a characteristic aryl ether bond (Caryl-O-CH3); therefore, the selective cleavage of the C-O bond to efficiently produce high-value chemicals poses a significant challenge. Constructing bimetallic synergistic active sites through tuning the metal-support interface is considered an effective strategy. In this work, the WO3-promoted Pt/SiO2 catalysts were investigated to enhance the performance of anisole hydrodeoxygenation (HDO) to hydrocarbons. Experimental results demonstrate that WO3 significantly promotes HDO selectivity, increasing from 37.8% to 86.8% at 250 °C. Moreover, moderate doping improves low-temperature (<250 °C) HDO activity, confirming the presence of synergistic effects. In contrast, excessive WO3 suppresses anisole conversion. Characterization results reveal that WO3 stabilizes metallic Pt and facilitates H2 dissociation. Concurrently, strong hydrogen spillover between Pt and WO3 promotes oxygen vacancy formation on WO3. This transforms disordered adsorption of anisole on SiO2 into directed adsorption of the anisole’s oxygen species onto WO3. This work achieves high anisole HDO selectivity through the Pt-WO3 interface tuning, offering novel insights for efficient lignin conversion. Full article
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36 pages, 2410 KB  
Review
Catalytic Innovations for High-Yield Biohydrogen Production in Integrated Dark Fermentation and Microbial Electrolysis Systems
by Chetan Pandit, Siddhant Srivastava and Chang-Tang Chang
Catalysts 2025, 15(9), 848; https://doi.org/10.3390/catal15090848 - 3 Sep 2025
Cited by 1 | Viewed by 1436
Abstract
Biohydrogen, a low-carbon footprint technology, can play a significant role in decarbonizing the energy system. It uses existing infrastructure, is easily transportable, and produces no greenhouse gas emissions. Four technologies can be used to produce biohydrogen: photosynthetic biohydrogen, dark fermentation (DF), photo-fermentation, and [...] Read more.
Biohydrogen, a low-carbon footprint technology, can play a significant role in decarbonizing the energy system. It uses existing infrastructure, is easily transportable, and produces no greenhouse gas emissions. Four technologies can be used to produce biohydrogen: photosynthetic biohydrogen, dark fermentation (DF), photo-fermentation, and microbial electrolysis cells (MECs). DF produces more biohydrogen and is flexible with organic substrates, making it a sustainable method of waste repurposing. However, low achievable biohydrogen yields are a common issue. To overcome this, catalytic mechanisms, including enzymatic systems such as [Fe-Fe]- and [Ni-Fe]-hydrogenases in DF and electroactive microbial consortia in MECs, alongside advanced electrode catalysts which collectively surmount thermodynamic and kinetic constraints, and the two stage system, such as DF connection to photo-fermentation and anaerobic digestion (AD) to microbial electrolysis cells (MECs), have been investigated. MECs can generate biohydrogen at better yields by using sugars or organic acids, and combining DF and MEC technologies could improve biohydrogen production. As such, this review highlights the challenges and possible solutions for coupling DF–MEC while also offering knowledge regarding the technical and microbiological aspects. Full article
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24 pages, 6589 KB  
Article
Beyond Fossil Fuels: The Role of V-Doped Hydrotalcites in n-Butane Oxidative Dehydrogenation for a Circular Economy
by Agnieszka Węgrzyn, Alicja Katarzyńska, Paweł Miśkowiec and Wacław Makowski
Catalysts 2025, 15(9), 841; https://doi.org/10.3390/catal15090841 - 2 Sep 2025
Viewed by 809
Abstract
This study explores the catalytic performance of V3+-modified Mg/Al hydrotalcite-derived materials in the oxidative dehydrogenation (ODH) of n-butane, compared with catalysts derived from pyrovanadate and decavanadate precursors. Different methods for preparing hydrotalcite-like materials were applied to obtain vanadium-containing Mg-Al mixed oxide [...] Read more.
This study explores the catalytic performance of V3+-modified Mg/Al hydrotalcite-derived materials in the oxidative dehydrogenation (ODH) of n-butane, compared with catalysts derived from pyrovanadate and decavanadate precursors. Different methods for preparing hydrotalcite-like materials were applied to obtain vanadium-containing Mg-Al mixed oxide catalysts for n-butane ODH. The hydrotalcite-like precursors were doped with vanadates (V5+) via ion exchange or co-precipitation or with V3+ cations incorporated into brucite-like layers. During calcination in air or argon flow, different vanadium-containing phases were obtained. Our findings demonstrate that V3+-doped hydrotalcites exhibit superior activity and selectivity toward the total C4H8 products, with enhanced selectivity for 1,3-butadiene. The highest n-butane conversion was observed for catalysts with an MgO structure and vanadium dispersed in the oxide matrix. A similar conversion level (~44%) was obtained for a spinel-like Mg2VO4 catalyst, but only a 15% level was found for the highly crystalline α-Mg2V2O7 catalyst. In contrast, the highest selectivities toward dehydrogenated products were observed for V3+-containing and α-Mg2V2O7 catalysts. NH3- and CO2-temperature programmed desorption (TPD) analyses showed that high basicity combined with low acidity favors the formation of butene isomers and 1,3-butadiene. This work highlights the strategic potential of tailoring vanadium speciation and hydrotalcite-based catalyst design for low-carbon chemical manufacturing, supporting the transition toward a circular economy. Full article
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19 pages, 1666 KB  
Review
Breaking Evolution’s Ceiling: AI-Powered Protein Engineering
by Shuming Jin, Qiuyang Wu, Gaokui Fu, Dong Lu, Fang Wang, Li Deng and Kaili Nie
Catalysts 2025, 15(9), 842; https://doi.org/10.3390/catal15090842 - 2 Sep 2025
Cited by 1 | Viewed by 4276
Abstract
Breakthrough advances in artificial intelligence (AI) are propelling de novo protein design past the boundaries of natural evolution, making it possible to engineer proteins with entirely novel structures and functions. Benefiting from iterative improvements in machine learning algorithms, AI-driven de novo strategies have [...] Read more.
Breakthrough advances in artificial intelligence (AI) are propelling de novo protein design past the boundaries of natural evolution, making it possible to engineer proteins with entirely novel structures and functions. Benefiting from iterative improvements in machine learning algorithms, AI-driven de novo strategies have overcome traditional reliance on natural templates. These approaches autonomously optimize catalytic sites and overall stability, significantly enhancing enzyme performance and applicability. Generative models, including large language models and diffusion models, can rapidly produce novel protein structures with specialized functions, offering innovative technological paths for biomolecule development. This review systematically discusses recent key developments and representative examples of AI applications in enzyme engineering and design. We highlight a fundamental shift from traditional “structure-based function analysis” to a new paradigm of “function-driven structural innovation.” Furthermore, we comprehensively evaluate current challenges in AI-driven protein engineering and suggest promising future directions. Full article
(This article belongs to the Section Biocatalysis)
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62 pages, 3631 KB  
Review
Tailoring Electrocatalytic Pathways: A Comparative Review of the Electrolyte’s Effects on Five Key Energy Conversion Reactions
by Goitom K. Gebremariam, Khalid Siraj and Igor A. Pašti
Catalysts 2025, 15(9), 835; https://doi.org/10.3390/catal15090835 - 1 Sep 2025
Viewed by 2348
Abstract
The advancement of efficient energy conversion and storage technologies is fundamentally linked to the development of electrochemical systems, including fuel cells, batteries, and electrolyzers, whose performance depends on key electrocatalytic reactions: hydrogen evolution (HER), oxygen evolution (OER), oxygen reduction (ORR), carbon dioxide reduction [...] Read more.
The advancement of efficient energy conversion and storage technologies is fundamentally linked to the development of electrochemical systems, including fuel cells, batteries, and electrolyzers, whose performance depends on key electrocatalytic reactions: hydrogen evolution (HER), oxygen evolution (OER), oxygen reduction (ORR), carbon dioxide reduction (CO2RR), and nitrogen reduction (NRR). Beyond catalyst design, the electrolyte microenvironment significantly influences these reactions by modulating charge transfer, intermediate stabilization, and mass transport, making electrolyte engineering a powerful tool for enhancing performance. This review provides a comprehensive analysis of how fundamental electrolyte properties, including pH, ionic strength, ion identity, and solvent structure, affect the mechanisms and kinetics of these five reactions. We examine in detail how the electrolyte composition and individual ion contributions impact reaction pathways, catalytic activity, and product selectivity. For HER and OER, we discuss the interplay between acidic and alkaline environments, the effects of specific ions, interfacial electric fields, and catalyst stability. In ORR, we highlight pH-dependent activity, selectivity, and the roles of cations and anions in steering 2e versus 4e pathways. The CO2RR and NRR sections explore how the electrolyte composition, local pH, buffering capacity, and proton sources influence activity and the product distribution. We also address challenges in electrolyte optimization, such as managing competing reactions and maximizing Faradaic efficiency. By comparing the electrolyte’s effects across these reactions, this review identifies general trends and design guidelines for enhancing electrocatalytic performance and outlines key open questions and future research directions relevant to practical energy technologies. Full article
(This article belongs to the Section Computational Catalysis)
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17 pages, 7186 KB  
Article
Tuning High-Entropy Oxides for Oxygen Evolution Reaction Through Electrocatalytic Water Splitting: Effects of (MnFeNiCoX)3O4 (X = Cr, Cu, Zn, and Cd) on Electrocatalytic Performance
by Milad Zehtab Salmasi, Amir Narimani, Ali Omidkar and Hua Song
Catalysts 2025, 15(9), 827; https://doi.org/10.3390/catal15090827 - 1 Sep 2025
Cited by 1 | Viewed by 1424
Abstract
This research presents the development of spinel-type high-entropy oxide (HEO) catalysts with the general composition (MnFeNiCoX)3O4, where X represents Cr, Cu, Zn, and Cd, synthesized through a solution combustion method. The impact of the fifth metal element on the [...] Read more.
This research presents the development of spinel-type high-entropy oxide (HEO) catalysts with the general composition (MnFeNiCoX)3O4, where X represents Cr, Cu, Zn, and Cd, synthesized through a solution combustion method. The impact of the fifth metal element on the oxygen evolution reaction (OER) was systematically explored using structural, morphological, and electrochemical characterization techniques. Among the various compositions, the Cr-containing catalyst, (MnFeNiCoCr)3O4, displayed outstanding electrocatalytic behavior, delivering a notably low overpotential of 323 mV at a current density of 10 mA/cm2 in 1.0 M KOH—surpassing the performance of benchmark RuO2. Additionally, this material exhibited the smallest Tafel slope (56 mV/dec), the greatest double-layer capacitance (3.35 mF/cm2), and the most extensive electrochemically active surface area, all indicating enhanced charge transfer capability and high catalytic proficiency. The findings highlight the potential of element tailoring in HEOs as a promising strategy for optimizing water oxidation catalysis. Full article
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41 pages, 2299 KB  
Review
A Comprehensive Review on Hydrogen Production via Catalytic Ammonia Decomposition
by Domenico Maccarrone, Cristina Italiano, Gianfranco Giorgianni, Gabriele Centi, Siglinda Perathoner, Antonio Vita and Salvatore Abate
Catalysts 2025, 15(9), 811; https://doi.org/10.3390/catal15090811 - 26 Aug 2025
Cited by 1 | Viewed by 3528
Abstract
A comprehensive literature review highlights how the nature of active metals, support materials, promoters, and synthesis methods influences catalytic performance, with particular attention to ruthenium-based catalysts as the current benchmark. Kinetic models are presented to describe the reaction pathway and predict catalyst behavior. [...] Read more.
A comprehensive literature review highlights how the nature of active metals, support materials, promoters, and synthesis methods influences catalytic performance, with particular attention to ruthenium-based catalysts as the current benchmark. Kinetic models are presented to describe the reaction pathway and predict catalyst behavior. Various reactor configurations, including fixed-bed, membrane, catalytic membrane, perovskite-based, and microreactors, are evaluated in terms of their suitability for ammonia decomposition. While ruthenium remains the benchmark catalyst, alternative transition metals such as iron, nickel, and cobalt have also been investigated, although they typically require higher operating temperatures (≥500 °C) to achieve comparable conversion levels. At the industrial scale, catalyst development must balance performance with cost. Inexpensive and scalable materials (e.g., MgO, Al2O3, CaO, K, Na) and simple preparation techniques (e.g., wet impregnation, incipient wetness) may offer lower performance than more advanced systems but are often favored for practical implementation. From a reactor engineering standpoint, membrane reactors emerge as the most promising technology for combining catalytic reaction and product separation in a single unit operation. This review provides a critical overview of current advances in ammonia decomposition for hydrogen production, offering insights into both catalytic materials and reactor design strategies for sustainable energy applications. Full article
(This article belongs to the Special Issue Feature Review Papers in Catalysis for Sustainable Energy)
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34 pages, 1661 KB  
Review
Algae to Biofuels: Catalytic Strategies and Sustainable Technologies for Green Energy Conversion
by Shushil Kumar Rai, Gyungmin Kim and Hua Song
Catalysts 2025, 15(9), 806; https://doi.org/10.3390/catal15090806 - 25 Aug 2025
Viewed by 4414
Abstract
The global population surge and continuously rising energy demand have led to the rapid depletion of fossil fuel reserves. Over-exploitation of non-renewable fuels is responsible for the emission of greenhouse gases, air pollution, and global warming, which causes serious health issues and ecological [...] Read more.
The global population surge and continuously rising energy demand have led to the rapid depletion of fossil fuel reserves. Over-exploitation of non-renewable fuels is responsible for the emission of greenhouse gases, air pollution, and global warming, which causes serious health issues and ecological imbalance. The present study focuses on the potential of algae-based biofuel as an alternative energy source for fossil fuels. Algal biofuels are more environmentally friendly and economically reasonable to produce on a pilot scale compared to lignocellulosic-derived biofuels. Algae can be cultivated in closed, open, and hybrid photobioreactors. Notably, high-rate raceway ponds with the ability to recycle nutrients can reduce freshwater consumption by 60% compared to closed systems. The algal strain along with various factors such as light, temperature, nutrients, carbon dioxide, and pH is responsible for the growth of biomass and biofuel production. Algal biomass conversion through hydrothermal liquefaction (HTL) can achieve higher energy return on investments (EROI) than conventional techniques, making it a promising Technology Readiness Level (TRL) 5–6 pathway toward circular biorefineries. Therefore, algal-based biofuel production offers numerous benefits in terms of socio-economic growth. This review highlights the basic cultivation, dewatering, and processing of algae to produce biofuels using various methods. A simplified multicriteria evaluation strategy was used to compare various catalytic processes based on multiple performance indicators. We also conferred various advantages of an integrated biorefinery system and current technological advancements for algal biofuel production. In addition to this, policies and market regulations are discussed briefly. At the end, critical challenges and future perspectives of algal biorefineries are reviewed. Algal biofuels are environmentally friendly as well as economically sustainable and usually offer more benefits compared to fossil fuels. Full article
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50 pages, 6675 KB  
Review
Catalyst, Reactor, and Purification Technology in Methanol Steam Reforming for Hydrogen Production: A Review
by Ruochen Wang, Te Ma, Renkai Ding, Wei Liu and Dong Sun
Catalysts 2025, 15(9), 802; https://doi.org/10.3390/catal15090802 - 23 Aug 2025
Viewed by 2686
Abstract
Methanol steam reforming (MSR) represents a highly promising pathway for sustainable hydrogen production due to its favorable hydrogen-to-carbon ratio and relatively low operating temperatures. The performance of the MSR process is strongly dependent on the selection and rational design of catalysts, which govern [...] Read more.
Methanol steam reforming (MSR) represents a highly promising pathway for sustainable hydrogen production due to its favorable hydrogen-to-carbon ratio and relatively low operating temperatures. The performance of the MSR process is strongly dependent on the selection and rational design of catalysts, which govern methanol conversion, hydrogen selectivity, and the suppression of undesired side reactions such as carbon monoxide formation. Moreover, advancements in reactor configuration and thermal management strategies play a vital role in minimizing heat loss and enhancing heat and mass transfer efficiency. Effective carbon monoxide removal technologies are indispensable for obtaining high-purity hydrogen, particularly for applications sensitive to CO contamination. This review systematically summarizes recent progress in catalyst development, reactor design, and gas purification technologies for MSR. In addition, the key technical challenges and potential future directions of the MSR process are critically discussed. The insights provided herein are expected to contribute to the development of more efficient, stable, and scalable MSR-based hydrogen production systems. Full article
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31 pages, 4081 KB  
Review
Sulfur Vacancy Engineering in Photocatalysts for CO2 Reduction: Mechanistic Insights and Material Design
by Bingqing Chang, Xin Liu, Xianghai Song, Yangyang Yang, Jisheng Zhang, Weiqiang Zhou and Pengwei Huo
Catalysts 2025, 15(8), 782; https://doi.org/10.3390/catal15080782 - 16 Aug 2025
Cited by 1 | Viewed by 1669
Abstract
Against the backdrop of increasing global warming, exploring sustainable pathways to mitigate the greenhouse effect has become a central issue for the ecological and energy future. Photocatalytic reduction of CO2 technology shows a broad application prospect due to its ability to directly [...] Read more.
Against the backdrop of increasing global warming, exploring sustainable pathways to mitigate the greenhouse effect has become a central issue for the ecological and energy future. Photocatalytic reduction of CO2 technology shows a broad application prospect due to its ability to directly convert CO2 into high-value-added hydrocarbon fuels and to use solar energy, a clean energy source, to drive the reaction. However, traditional semiconductor catalysts generally suffer from insufficient activity and poor product selectivity in the actual reaction, which cannot meet the requirements of practical applications. In recent years, sulfur vacancy, as an effective material modulation strategy, has demonstrated a remarkable role in enhancing photocatalytic performance. This paper reviews a series of research reports on sulfur vacancies in recent years, introduces the methods of preparing sulfur vacancies, and summarizes the commonly used characterization methods of sulfur vacancies. Finally, the mechanism of introducing sulfur vacancies to promote CO2 reduction is discussed, which improves the photocatalytic activity and selectivity by enhancing light absorption, facilitating carrier separation, improving CO2 adsorption and activation, and promoting the stability of reaction intermediates. This review aims to provide theoretical support for an in-depth understanding of the role of sulfur vacancies in photocatalytic systems and to provide a view on the future direction and potential challenges of sulfur vacancies. Full article
(This article belongs to the Special Issue Catalytic Carbon Emission Reduction and Conversion in the Environment)
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31 pages, 8890 KB  
Review
Advancements in Non-Precious Metal Catalysts for High-Temperature Proton-Exchange Membrane Fuel Cells: A Comprehensive Review
by Naresh Narayanan, Balamurali Ravichandran, Indubala Emayavaramban, Huiyuan Liu and Huaneng Su
Catalysts 2025, 15(8), 775; https://doi.org/10.3390/catal15080775 - 14 Aug 2025
Cited by 1 | Viewed by 2290
Abstract
High-Temperature Proton-Exchange Membrane Fuel Cells (HT-PEMFCs) represent a promising clean energy technology and are valued for their fuel flexibility and simplified balance of plant. Their commercialization, however, is critically hindered by the prohibitive cost and resource scarcity of platinum-group metal (PGM) catalysts. The [...] Read more.
High-Temperature Proton-Exchange Membrane Fuel Cells (HT-PEMFCs) represent a promising clean energy technology and are valued for their fuel flexibility and simplified balance of plant. Their commercialization, however, is critically hindered by the prohibitive cost and resource scarcity of platinum-group metal (PGM) catalysts. The challenge is amplified in the phosphoric acid (PA) electrolyte of HT-PEMFCs, where the severe anion poisoning of PGM active sites necessitates impractically high catalyst loadings. This review addresses the urgent need for cost-effective alternatives by providing a comprehensive assessment of recent advancements in non-precious metal (NPM) catalysts for the oxygen reduction reaction (ORR) in HT-PEMFCs. It systematically explores synthesis strategies and structure–performance relationships for emerging catalyst classes, including transition metal compounds, metal–nitrogen–carbon (M-N-C) materials, and metal-free heteroatom-doped carbons. A significant focus is placed on M-N-C catalysts, particularly those with atomically dispersed Fe-Nx active sites, which have emerged as the most viable replacements for platinum due to their high intrinsic activity and notable tolerance to phosphate poisoning. This review critically analyzes key challenges that impede practical application, such as the trade-off between catalyst activity and stability, mass transport limitations in thick electrodes, and long-term degradation in the harsh PA environment. Finally, it outlines future research directions, emphasizing the need for a synergistic approach that integrates computational modeling with advanced operando characterization to guide the rational design of durable, high-performance catalysts and electrode architectures, thereby accelerating the path to commercial viability for HT-PEMFC technology. Full article
(This article belongs to the Section Electrocatalysis)
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12 pages, 2983 KB  
Article
Rare-Earth-Element-Doped NiCo Layered Double Hydroxides for High-Efficiency Oxygen Evolution
by Zhihan Li, Wenjing Yi, Qingqing Pang, Meng Zhang and Zhongyi Liu
Catalysts 2025, 15(8), 763; https://doi.org/10.3390/catal15080763 - 9 Aug 2025
Cited by 1 | Viewed by 1302
Abstract
The development of low-cost and high-efficiency oxygen evolution reaction (OER) catalysts is essential to enhance the practicality of electrochemical water splitting for green hydrogen production. Layered double hydroxides (LDHs), especially those based on nickel and cobalt, have attracted attention due to their tunable [...] Read more.
The development of low-cost and high-efficiency oxygen evolution reaction (OER) catalysts is essential to enhance the practicality of electrochemical water splitting for green hydrogen production. Layered double hydroxides (LDHs), especially those based on nickel and cobalt, have attracted attention due to their tunable composition, abundant redox-active sites, and earth-abundant constituents. However, their application is hindered by their limited conductivity and sluggish reaction kinetics. In this study, rare-earth-element-doped NiCo LDHs were synthesized directly on nickel foam through a one-step hydrothermal approach to improve the OER activity by modulating the electronic structure and optimizing the surface morphology. Among the representative catalysts, the incorporation of Sm significantly influenced the microstructure and electronic configuration of the catalyst, as confirmed by X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS). Electrochemical tests showed that the optimized Sm-NiCo LDH achieved a low overpotential of 172 mV at 10 mA cm−2 and a small Tafel slope of 84 mV dec−1 in 1 M KOH, indicating an expanded electrochemically active surface and improved charge transport. Long-term stability tests further showed its durability. These findings suggest that Sm doping enhances the OER performance by increasing active site exposure and promoting efficient charge transfer, offering a promising strategy for designing rare-earth-modified, non-precious-metal-based OER catalysts. Full article
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43 pages, 2221 KB  
Review
Recent Progress in Catalytically Driven Advanced Oxidation Processes for Wastewater Treatment
by Tian-Hua Zheng, Zhen-Zhong Zhang, Yue Liu and Liang-Hua Zou
Catalysts 2025, 15(8), 761; https://doi.org/10.3390/catal15080761 - 8 Aug 2025
Cited by 1 | Viewed by 3412
Abstract
With the increasing severity of global water pollution, traditional wastewater treatment methods have gradually revealed limitations in dealing with complex and refractory pollutants. Advanced oxidation processes (AOPs) have emerged as a promising alternative due to their ability to generate highly reactive radicals (such [...] Read more.
With the increasing severity of global water pollution, traditional wastewater treatment methods have gradually revealed limitations in dealing with complex and refractory pollutants. Advanced oxidation processes (AOPs) have emerged as a promising alternative due to their ability to generate highly reactive radicals (such as hydroxyl and sulfate radicals) that can effectively degrade a wide range of pollutants. This review provides a detailed overview of various AOP technologies, including Fenton processes, ozone-based AOPs, persulfate-based AOPs, photocatalytic AOPs, electrochemical AOPs, and sonochemical AOPs, focusing on their fundamental principles, reaction mechanisms, catalyst design, and application performance in treating different types of wastewater. The research results show that the improved Fenton process can achieve a chemical oxygen demand (COD) removal rate of up to 85% when treating pharmaceutical wastewater. Photocatalytic AOP technology demonstrates higher degradation efficiency when treating industrial wastewater containing refractory pollutants. In addition to effectively degrading refractory pollutants and reducing dependence on traditional biological treatment methods, these advanced oxidation processes can also significantly reduce secondary pollution generated during the treatment process. Moreover, by optimizing AOP technologies, the deep mineralization of harmful substances in wastewater can be achieved, reducing the potential pollution risks to groundwater and soil while also lowering energy consumption during the treatment process. Additionally, this review discusses the challenges faced by AOPs in practical applications, such as high energy consumption, insufficient catalyst stability, and secondary pollution. This review summarizes the research progress and application trends of catalytically driven AOPs in the field of wastewater treatment over the past five years. It aims to provide a comprehensive reference for researchers and engineering professionals on the application of AOPs in wastewater treatment, promoting the further development and practical implementation of these technologies. Full article
(This article belongs to the Collection Catalysis in Advanced Oxidation Processes for Pollution Control)
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16 pages, 11908 KB  
Article
A Quinary-Metallic High-Entropy Electrocatalyst with Driving of Cocktail Effect for Enhanced Oxygen Evolution Reaction
by Jing-Yi Lv, Zhi-Jie Zhang, Hao Zhang, Jun Nan, Zan Chen, Xin Liu, Fei Han, Yong-Ming Chai and Bin Dong
Catalysts 2025, 15(8), 744; https://doi.org/10.3390/catal15080744 - 5 Aug 2025
Viewed by 900
Abstract
The complex system of high-entropy materials makes it challenging to reveal the specific function of each site for oxygen evolution reaction (OER). Here, with nickel foam (NF) as the substrate, FeCoNiCrMo/NF is designed to be prepared by metal–organic frameworks (MOF) as a precursor [...] Read more.
The complex system of high-entropy materials makes it challenging to reveal the specific function of each site for oxygen evolution reaction (OER). Here, with nickel foam (NF) as the substrate, FeCoNiCrMo/NF is designed to be prepared by metal–organic frameworks (MOF) as a precursor under an argon atmosphere. XRD analysis confirms that it retains a partial MOF crystal structure (characteristic peak at 2θ = 11.8°) with amorphous carbon (peaks at 22° and 48°). SEM-EDS mapping and XPS demonstrate uniform distribution of Fe, Co, Ni, Cr, and Mo with a molar ratio of 27:24:30:11:9. Electrochemical test results show that FeCoNiCrMo/NF has excellent OER characteristics compared with other reference prepared samples. FeCoNiCrMo/NF has an overpotential of 285 mV at 100 mA cm−2 and performs continuously for 100 h without significant decline. The OER mechanism of FeCoNiCrMo/NF further reveal that Co and Ni are true active sites, and the dissolution of Cr and Mo promote the conversion of active sites into MOOH following the lattice oxygen mechanism (LOM). The precipitation–dissolution equilibrium of Fe also plays an important role in the OER process. The study of different reaction sites in complex systems points the way to designing efficient and robust catalysts. Full article
(This article belongs to the Special Issue Non-Noble Metal Electrocatalytic Materials for Clean Energy)
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12 pages, 2634 KB  
Article
Singlet Oxygen-Mediated Micropollutant Degradation Using an FePc-Modified CNT Filter via Peroxymonosulfate Activation
by Chenxin Xie, Yifan Ren and Yanbiao Liu
Catalysts 2025, 15(8), 747; https://doi.org/10.3390/catal15080747 - 5 Aug 2025
Viewed by 849
Abstract
Herein, we rationally designed a molecular catalytic filter for effective micropollutants decontamination via peroxymonosulfate (PMS) activation. Specifically, iron phthalocanine (FePc) molecules with defined Fe–N4 coordination were immobilized onto carbon nanotubes (CNTs), forming a hybrid catalyst that integrated molecular precision with heterogeneous catalytic [...] Read more.
Herein, we rationally designed a molecular catalytic filter for effective micropollutants decontamination via peroxymonosulfate (PMS) activation. Specifically, iron phthalocanine (FePc) molecules with defined Fe–N4 coordination were immobilized onto carbon nanotubes (CNTs), forming a hybrid catalyst that integrated molecular precision with heterogeneous catalytic properties. The resulting CNT-FePc filter achieved a 98.4% removal efficiency for bisphenol A (10 ppm) in a single-pass operation system, significantly outperforming the CNT/PMS system without FePc (41.6%). Additionally, the CNT-FePc/PMS system demonstrated remarkable resistance to performance inhibition by common water matrix components. Unlike typical radical-dominated PMS activation processes, mechanistic investigations confirmed that the CNT-FePc/PMS system selectively promoted singlet oxygen (1O2) generation as the primary oxidative pathway. Density functional theory (DFT) calculations revealed that PMS exhibited stronger adsorption on FePc (−3.05 eV) compared to CNT (−2.86 eV), and that FePc effectively facilitated O–O bond elongation in PMS, thereby facilitating 1O2 generation. Additionally, seed germination assays indicated a significant reduction in the biotoxicity of the treated effluents. Overall, this work presents a catalyst design strategy that merges molecular-level coordination chemistry with practical flow-through configuration, enabling rapid, selective, and environmentally benign micropollutant removal. Full article
(This article belongs to the Collection Advanced Catalysts for Wastewater Remediation Technologies)
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18 pages, 4136 KB  
Article
Interfacial Electric Fields and Chemical Bonds in Ti3C2O-Crafted AgI/MoS2 Direct Z-Scheme Heterojunction Synergistically Expedite Photocatalytic Performance
by Suxing Jiao, Tianyou Chen, Yiran Ying, Yincheng Liu and Jing Wu
Catalysts 2025, 15(8), 740; https://doi.org/10.3390/catal15080740 - 3 Aug 2025
Viewed by 760
Abstract
The photocatalytic performance of heterojunctions is often restricted by inferior contact interface and low charge transfer efficiency. In this work, Ti3C2O MXene was crafted with AgI/MoS2 to produce a Z-scheme heterojunction (AgI/MoS2/Ti3C2O). [...] Read more.
The photocatalytic performance of heterojunctions is often restricted by inferior contact interface and low charge transfer efficiency. In this work, Ti3C2O MXene was crafted with AgI/MoS2 to produce a Z-scheme heterojunction (AgI/MoS2/Ti3C2O). Interfacial electric fields and chemical bonds were proven to exist in the heterojunction. The interfacial electric fields supplied a powerful driving force, and the interfacial Ti-O-Mo bonds served as an atomic-level channel for synergistically expediting the vectorial transfer of photogenerated carriers. As a result, AgI/MoS2/Ti3C2O exhibited significantly improved photocatalytic activity, demonstrating a high H2O2 production rate of 700 μmol·g−1·h−1 and a rapid degradation of organic pollutants. Full article
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12 pages, 4246 KB  
Article
Theoretical Modeling of Pathways of Transformation of Fructose and Xylose to Levulinic and Formic Acids over Single Na Site in BEA Zeolite
by Izabela Czekaj and Weronika Grzesik
Catalysts 2025, 15(8), 735; https://doi.org/10.3390/catal15080735 - 1 Aug 2025
Viewed by 704
Abstract
The aim of our work is to theoretically model the conversion of C6 and C5 carbohydrates derived from lignocellulosic biomass waste into C1–C5 carboxylic acids such as levulinic, oxalic, lactic, and formic acids. Understanding the mechanism of these processes will provide the necessary [...] Read more.
The aim of our work is to theoretically model the conversion of C6 and C5 carbohydrates derived from lignocellulosic biomass waste into C1–C5 carboxylic acids such as levulinic, oxalic, lactic, and formic acids. Understanding the mechanism of these processes will provide the necessary knowledge to better plan the structure of zeolite. In this article, we focus on the theoretical modeling of two carbohydrates, representing C5 and C6, namely xylose and fructose, into levulinic acid (LE) and formic acid (FA). The modeling was carried out with the participation of Na-BEA zeolite in a hierarchical form, due to the large size of the carbohydrates. The density functional theory (DFT) method (StoBe program) was used, employing non-local generalized gradient-corrected functions according to Perdew, Burke, and Ernzerhof (RPBE) to account for electron exchange and correlation and using the nudged elastic band (NEB) method to determine the structure and energy of the transition state. The modeling was performed using cluster representations of hierarchical Na-Al2Si12O39H23 and ideal Al2Si22O64H34 beta zeolite. However, to accommodate the size of the carbohydrate molecules in reaction paths, only hierarchical Na-Al2Si12O39H23 was used. Sodium ions were positioned above the aluminum centers within the zeolite framework. Full article
(This article belongs to the Special Issue State of the Art and Future Challenges in Zeolite Catalysts)
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35 pages, 2193 KB  
Review
How Mechanistic Enzymology Helps Industrial Biocatalysis: The Case for Kinetic Solvent Viscosity Effects
by Gabriel Atampugre Atampugbire, Joanna Afokai Quaye and Giovanni Gadda
Catalysts 2025, 15(8), 736; https://doi.org/10.3390/catal15080736 - 1 Aug 2025
Viewed by 2255
Abstract
Biocatalysis is one of the oldest fields that has been used in industrial applications, with one of the earliest purposeful examples being the mass production of acetic acid from an immobilized Acinetobacter strain in the year 1815. Efficiency, specificity, reduced reaction times, lower [...] Read more.
Biocatalysis is one of the oldest fields that has been used in industrial applications, with one of the earliest purposeful examples being the mass production of acetic acid from an immobilized Acinetobacter strain in the year 1815. Efficiency, specificity, reduced reaction times, lower overall costs, and environmental friendliness are some advantages biocatalysis has over conventional chemical synthesis, which has made biocatalysis increasingly used in industry. We highlight three necessary fields that are fundamental to advancing industrial biocatalysis, including biocatalyst engineering, solvent engineering, and mechanistic engineering. However, the fundamental mechanism of enzyme function is often overlooked or given less attention, which can limit the engineering process. In this review, we describe how mechanistic enzymology benefits industrial biocatalysis by elucidating key fundamental principles, including the kcat and kcat/Km parameters. Mechanistic enzymology presents a unique field that provides in-depth insights into the molecular mechanisms of enzyme activity and includes areas such as reaction kinetics, catalytic mechanisms, structural analysis, substrate specificity, and protein dynamics. In line with the objective of protein engineering to optimize enzyme activity, we summarize a range of strategies reported in the literature aimed at improving the product release rate, the chemical step of catalysis, and the overall catalytic efficiency of enzymes. Further into this review, we delineate kinetic solvent viscosity effects (KSVEs) as a very efficient, cost-effective, and easy-to-perform method to probe different aspects of enzyme reaction mechanisms, including diffusion-dependent kinetic steps and rate-limiting steps. KSVEs are cost-effective because simple kinetic enzyme assays, such as the Michaelis–Menten kinetic approach, can be combined with them without the need for specialized and costly equipment. Other techniques in protein engineering and genetic engineering are also covered in this review. Additionally, we provide information on solvent systems in enzymatic reactions, details on immobilized biocatalysts, and common misconceptions that misguide enzyme design and optimization processes. Full article
(This article belongs to the Special Issue Enzyme Engineering—the Core of Biocatalysis)
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35 pages, 3599 KB  
Review
Recent Advances in Borylation and Suzuki-Type Cross-Coupling—One-Pot Miyaura-Type C–X and C–H Borylation–Suzuki Coupling Sequence
by Nouhaila Bahyoune, Mohammed Eddahmi, Perikleia Diamantopoulou, Ioannis D. Kostas and Latifa Bouissane
Catalysts 2025, 15(8), 738; https://doi.org/10.3390/catal15080738 - 1 Aug 2025
Viewed by 3965
Abstract
In the last decades, numerous approaches have been explored for the cross-coupling of biaryl building blocks depending on the presence of boron sources. In fact, these changes have been catalyzed by transition metal complexes. This review focuses on the progress of the last [...] Read more.
In the last decades, numerous approaches have been explored for the cross-coupling of biaryl building blocks depending on the presence of boron sources. In fact, these changes have been catalyzed by transition metal complexes. This review focuses on the progress of the last decade in transition metal-catalyzed C–X borylation and direct C–H borylation, with emphasis on nickel-catalyzed C–H borylation, as effective and affordable protocols for the borylation of aryl substrates. In addition, Suzuki-type cross-coupling by activation of C–H, C–C, or C–N bonds is also reported. This study then offers an overview of recent advances for the synthesis of bi- and multi-aryls found in synthetic molecular complexes and natural products using the transition metal-catalyzed one-pot Miyaura-type C–X and C–H borylation–Suzuki coupling sequence. Full article
(This article belongs to the Section Catalysis in Organic and Polymer Chemistry)
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15 pages, 1591 KB  
Article
Role of Cation Nature in FAU Zeolite in Both Liquid-Phase and Gas-Phase Adsorption
by Baylar Zarbaliyev, Nizami Israfilov, Shabnam Feyziyeva, Gaëtan Lutzweiler, Narmina Guliyeva and Benoît Louis
Catalysts 2025, 15(8), 734; https://doi.org/10.3390/catal15080734 - 1 Aug 2025
Viewed by 1660
Abstract
This study focuses on the exchange of mono- and divalent metal cations in FAU-type zeolite and their behavior in gas-phase CO2 adsorption measurements and liquid-phase methylene blue (MB) adsorption in the absence of oxidizing agents under dark conditions. Firstly, zeolites exchanged with [...] Read more.
This study focuses on the exchange of mono- and divalent metal cations in FAU-type zeolite and their behavior in gas-phase CO2 adsorption measurements and liquid-phase methylene blue (MB) adsorption in the absence of oxidizing agents under dark conditions. Firstly, zeolites exchanged with different cations were characterized by several techniques, such as XRD, SEM, XRF, XPS, and N2 adsorption–desorption, to reveal the impact of the cations on the zeolite texture and structure. The adsorption studies revealed a positive effect of cation exchange on the adsorption capacity of the zeolite, particularly for silver-loaded FAU zeolite. In liquid-phase experiments, Ag-Y zeolite also demonstrated the highest MB removal, with a value of 79 mg/g. Kinetic studies highlighted that Ag-Y could reach the MB adsorption equilibrium within 1 h, with its highest rate of adsorption occurring during the first 5 min. In gas-phase adsorption studies, the highest CO2 adsorption capacity was also achieved over Ag-Y, yielding 10.4 µmol/m2 of CO2 captured. Full article
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23 pages, 3019 KB  
Review
Phase-Transfer Catalysis for Fuel Desulfurization
by Xun Zhang and Rui Wang
Catalysts 2025, 15(8), 724; https://doi.org/10.3390/catal15080724 - 30 Jul 2025
Cited by 1 | Viewed by 1283
Abstract
This review surveys recent advances and emerging prospects in phase-transfer catalysis (PTC) for fuel desulfurization. In response to increasingly stringent environmental regulations, the removal of sulfur from transportation fuels has become imperative for curbing SOx emissions. Conventional hydrodesulfurization (HDS) operates under severe [...] Read more.
This review surveys recent advances and emerging prospects in phase-transfer catalysis (PTC) for fuel desulfurization. In response to increasingly stringent environmental regulations, the removal of sulfur from transportation fuels has become imperative for curbing SOx emissions. Conventional hydrodesulfurization (HDS) operates under severe temperature–pressure conditions and displays limited efficacy toward sterically hindered thiophenic compounds, motivating the exploration of non-hydrogen routes such as oxidative desulfurization (ODS). Within ODS, PTC offers distinctive benefits by shuttling reactants across immiscible phases, thereby enhancing reaction rates and selectivity. In particular, PTC enables efficient migration of organosulfur substrates from the hydrocarbon matrix into an aqueous phase where they are oxidized and subsequently extracted. The review first summarizes the deployment of classic PTC systems—quaternary ammonium salts, crown ethers, and related agents—in ODS operations and then delineates the underlying phase-transfer mechanisms, encompassing reaction-controlled, thermally triggered, photo-responsive, and pH-sensitive cycles. Attention is next directed to a new generation of catalysts, including quaternary-ammonium polyoxometalates, imidazolium-substituted polyoxometalates, and ionic-liquid-based hybrids. Their tailored architectures, catalytic performance, and mechanistic attributes are analyzed comprehensively. By incorporating multifunctional supports or rational structural modifications, these systems deliver superior desulfurization efficiency, product selectivity, and recyclability. Despite such progress, commercial deployment is hindered by the following outstanding issues: long-term catalyst durability, continuous-flow reactor design, and full life-cycle cost optimization. Future research should, therefore, focus on elucidating structure–performance relationships, translating batch protocols into robust continuous processes, and performing rigorous environmental and techno-economic assessments to accelerate the industrial adoption of PTC-enabled desulfurization. Full article
(This article belongs to the Special Issue Advanced Catalysis for Energy and a Sustainable Environment)
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30 pages, 7897 KB  
Review
Recent Progress of 2D Pt-Group Metallic Electrocatalysts for Energy-Conversion Applications
by Ziyue Chen, Yuerong Wang, Haiyan He and Huajie Huang
Catalysts 2025, 15(8), 716; https://doi.org/10.3390/catal15080716 - 27 Jul 2025
Viewed by 1225
Abstract
With the rapid growth of energy demand, the development of efficient energy-conversion technologies (e.g., water splitting, fuel cells, metal-air batteries, etc.) becomes an important way to circumvent the problems of fossil fuel depletion and environmental pollution, which motivates the pursuit of high-performance electrocatalysts [...] Read more.
With the rapid growth of energy demand, the development of efficient energy-conversion technologies (e.g., water splitting, fuel cells, metal-air batteries, etc.) becomes an important way to circumvent the problems of fossil fuel depletion and environmental pollution, which motivates the pursuit of high-performance electrocatalysts with controllable compositions and morphologies. Among them, two-dimensional (2D) Pt-group metallic electrocatalysts show a series of distinctive architectural merits, including a high surface-to-volume ratio, numerous unsaturated metal atoms, an ameliorative electronic structure, and abundant electron/ion transfers channels, thus holding great potential in realizing good selectivity, rapid kinetics, and high efficiency for various energy-conversion devices. Considering that great progress on this topic has been made in recent years, here we present a panoramic review of recent advancements in 2D Pt-group metallic nanocrystals, which covers diverse synthetic methods, structural analysis, and their applications as electrode catalysts for various energy-conversion technologies. At the end, the paper also outlines the research challenges and future opportunities in this emerging area. Full article
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20 pages, 10028 KB  
Article
The Fabrication of Cu2O-u/g-C3N4 Heterojunction and Its Application in CO2 Photoreduction
by Jiawei Lu, Yupeng Zhang, Fengxu Xiao, Zhikai Liu, Youran Li, Guiyang Shi and Hao Zhang
Catalysts 2025, 15(8), 715; https://doi.org/10.3390/catal15080715 - 27 Jul 2025
Viewed by 1338
Abstract
Over efficient photocatalysts, CO2 photoreduction typically converts CO2 into low-carbon chemicals, which serve as raw materials for downstream synthesis processes. Here, an efficient composite photocatalyst heterojunction (Cu2O-u/g-C3N4) has been fabricated to reduce CO2. [...] Read more.
Over efficient photocatalysts, CO2 photoreduction typically converts CO2 into low-carbon chemicals, which serve as raw materials for downstream synthesis processes. Here, an efficient composite photocatalyst heterojunction (Cu2O-u/g-C3N4) has been fabricated to reduce CO2. Graphitic carbon nitride (g-C3N4) was synthesized via thermal polymerization of urea at 550 °C, while pre-dispersed Cu2O derived from urea pyrolysis (Cu2O-u) was prepared by thermal reduction of urea and CuCl2·2H2O at 180 °C. The heterojunction Cu2O-u/g-C3N4 was subsequently constructed through hydrothermal treatment at 180 °C. This heterojunction exhibited a bandgap of 2.10 eV, with dual optical absorption edges at 485 nm and above 800 nm, enabling efficient harvesting of solar light. Under 175 W mercury lamp irradiation, the heterojunction catalyzed liquid-phase CO2 photoreduction to formic acid, acetic acid, and methanol. Its formic acid production activity surpassed that of pristine g-C3N4 by 3.14-fold and TiO2 by 8.72-fold. Reaction media, hole scavengers, and reaction duration modulated product selectivity. In acetonitrile/isopropanol systems, formic acid and acetic acid production reached 579.4 and 582.8 μmol·h−1·gcat−1. Conversely, in water/triethanolamine systems, methanol production reached 3061.6 μmol·h−1·gcat−1, with 94.79% of the initial conversion retained after three cycles. Finally, this work ends with the conclusions of the CO2 photocatalytic reduction to formic acid, acetic acid, and methanol, and recommends prospects for future research. Full article
(This article belongs to the Section Photocatalysis)
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19 pages, 2630 KB  
Article
Experimental and Kinetic Modelling Study of the Heterogeneous Catalytic Conversion of Bioethanol into n-Butanol Using MgO–Al2O3 Mixed Oxide Catalyst
by Amosi Makoye, Anna Vikár, András Bence Nacsa, Róbert Barthos, József Valyon, Ferenc Lónyi and Tibor Nagy
Catalysts 2025, 15(8), 709; https://doi.org/10.3390/catal15080709 - 25 Jul 2025
Cited by 2 | Viewed by 1404
Abstract
Ethanol upgrading via catalytic C–C coupling, commonly known as the Guerbet reaction, offers a sustainable route to produce 1-butanol, a high-performance biofuel. To address gaps in the mechanistic understanding of the catalytic reaction, we investigated the process involving a fixed-bed reactor, operated at [...] Read more.
Ethanol upgrading via catalytic C–C coupling, commonly known as the Guerbet reaction, offers a sustainable route to produce 1-butanol, a high-performance biofuel. To address gaps in the mechanistic understanding of the catalytic reaction, we investigated the process involving a fixed-bed reactor, operated at 275–325 °C, 21 bar, and weight hourly space velocities of 0.25–2.5 gEtOH/(gcat·h), using helium as a carrier gas, with a 5:1 He/EtOH molar ratio. The catalyst was a MgO–Al2O3 mixed oxide (Mg/Al = 2:1), derived from a hydrotalcite precursor. A detailed kinetic model was developed, encompassing 15 species and 27 reversible steps (10 sorption and 17 reaction steps), within a 1+1D sorption–reaction–transport framework. Four C4-forming pathways were included: aldol condensation to form crotonaldehyde, semi-direct coupling to form butyraldehyde and crotyl alcohol, and direct coupling to form 1-butanol. To avoid overfitting, Arrhenius parameters were grouped by reaction type, resulting in sixty rate parameters and one active site-specific density parameter. The optimized model achieved high accuracy, with an average prediction error of 1.44 times the experimental standard deviation. The mechanistic analysis revealed aldol condensation as the dominant pathway below 335 °C, with semi-direct coupling to crotyl alcohol prevailing above 340 °C. The resulting model provides a robust framework for understanding and predicting complex reaction networks in ethanol upgrading systems. Full article
(This article belongs to the Special Issue Biomass Catalytic Conversion to Value-Added Chemicals)
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16 pages, 8156 KB  
Article
The Development of Ni-Al Aerogel-Based Catalysts via Supercritical CO2 Drying for Photocatalytic CO2 Methanation
by Daniel Estevez, Haritz Etxeberria and Victoria Laura Barrio
Catalysts 2025, 15(7), 686; https://doi.org/10.3390/catal15070686 - 16 Jul 2025
Cited by 1 | Viewed by 1287
Abstract
The conversion of CO2 into CH4 through the Sabatier reaction is one of the key processes that can reduce CO2 emissions into the atmosphere. This work aims to develop Ni-Al aerogel-based thermo-photocatalysts with large specific surface areas prepared using a [...] Read more.
The conversion of CO2 into CH4 through the Sabatier reaction is one of the key processes that can reduce CO2 emissions into the atmosphere. This work aims to develop Ni-Al aerogel-based thermo-photocatalysts with large specific surface areas prepared using a sol–gel method and subsequent supercritical drying in CO2. Different Al/Ni molar ratios were selected for the development of the catalysts, characterized using ICP-OES, N2 adsorption–desorption isotherms, XRD, H2-TPR, TEM, UV-Vis DRS, and XPS techniques. Thermo-photocatalytic activity tests were performed in a photoreactor with two different light sources (λ = 365 nm, λ = 470 nm) at a temperature range from 300 °C to 450 °C and a pressure of 10 bar. The catalyst with the highest Ni loading (AG 1/3) produced the best catalytic results, reaching CO2 conversion and CH4 selectivity levels of 82% and 100%, respectively, under visible light at 450 °C. In contrast, the catalysts with the lowest nickel loading produced the lowest results, most likely due to their low amounts of active Ni. These results suggest that supercritical drying is an efficient method for developing active thermo-photocatalysts with high Ni dispersion, suitable for Sabatier reactions under mild reaction conditions. Full article
(This article belongs to the Special Issue Advancements in Photocatalysis for Environmental Applications)
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20 pages, 2590 KB  
Article
Application of Fused Filament Fabrication in Preparation of Ceramic Monolithic Catalysts for Oxidation of Gaseous Mixture of Volatile Aromatic Compounds
by Filip Car, Dominik Horvatić, Vesna Tomašić, Domagoj Vrsaljko and Zoran Gomzi
Catalysts 2025, 15(7), 677; https://doi.org/10.3390/catal15070677 - 11 Jul 2025
Viewed by 704
Abstract
The aim of this work was the preparation of ceramic monolithic catalysts for the catalytic oxidation of gaseous mixture of benzene, toluene, ethylbenzene and o-xylene BTEX. The possibility of using zirconium dioxide (ZrO2) as a filament for the fabrication of 3D-printed [...] Read more.
The aim of this work was the preparation of ceramic monolithic catalysts for the catalytic oxidation of gaseous mixture of benzene, toluene, ethylbenzene and o-xylene BTEX. The possibility of using zirconium dioxide (ZrO2) as a filament for the fabrication of 3D-printed ceramic monolithic carriers was investigated using fused filament fabrication. A mixed manganese and iron oxide, MnFeOx, was used as the catalytically active layer, which was applied to the monolithic substrate by wet impregnation. The approximate geometric surface area of the obtained carrier was determined to be 53.4 cm2, while the mass of the applied catalytically active layer was 50.3 mg. The activity of the prepared monolithic catalysts for the oxidation of BTEX was tested at different temperatures and space times. The results obtained were compared with those obtained with commercial monolithic catalysts made of ceramic cordierite with different channel dimensions, and with monolithic catalysts prepared by stereolithography. In the last part of the work, a kinetic analysis and the modeling of the monolithic reactor were carried out, comparing the experimental results with the theoretical results obtained with the 1D pseudo-homogeneous and 1D heterogeneous models. Although both models could describe the investigated experimental system very well, the 1D heterogeneous model is preferable, as it takes into account the heterogeneity of the reaction system and therefore provides a more realistic description. Full article
(This article belongs to the Section Catalytic Reaction Engineering)
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18 pages, 4550 KB  
Article
Efficient Visible-Light-Driven Photocatalysis of BiVO4@Diatomite for Degradation of Methoxychlor
by Nazar Iqbal, Xiaocui Huang, Khalid Mohamedali Hamid, Hongming Yuan, Irum Batool and Yuxiang Yang
Catalysts 2025, 15(7), 672; https://doi.org/10.3390/catal15070672 - 10 Jul 2025
Cited by 2 | Viewed by 1277
Abstract
As a persistent organic pollutant, methoxychlor has drawn considerable environmental attention. Photocatalysis, recognized for its environmentally friendly characteristics, has been widely utilized for the degradation of contaminants. In this study, the photocatalytic material BiVO4@diatomite was successfully synthesized via the liquid-phase precipitation [...] Read more.
As a persistent organic pollutant, methoxychlor has drawn considerable environmental attention. Photocatalysis, recognized for its environmentally friendly characteristics, has been widely utilized for the degradation of contaminants. In this study, the photocatalytic material BiVO4@diatomite was successfully synthesized via the liquid-phase precipitation method. The synthesized material was comprehensively characterized using X-ray diffraction (XRD), energy-dispersive spectroscopy (EDS), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), UV-vis diffuse reflectance spectroscopy (DRS), and a Brunauer–Emmett–Teller (BET) analysis, providing robust evidence for the material’s stability and biocompatibility. The results confirmed the successful deposition of BiVO4 onto the diatomite surface. Furthermore, the effects of various parameters, including the initial methoxychlor concentration, pH, light exposure duration, and illumination intensity, on the photocatalytic degradation efficiency of methoxychlor by BiVO4@diatomite were systematically investigated to optimize degradation performance. The identification of optimal reaction conditions and the proposed degradation mechanism based on experimental findings will be valuable for guiding future studies and practical applications in environmental pollution control. The integration of BiVO4 with diatomite in this study yields a novel composite system with significantly enhanced photocatalytic degradation performance, offering fresh insights into the design of efficient, stable, and eco-friendly materials for pollutant removal. Full article
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25 pages, 6054 KB  
Review
Recent Advances in Biocatalytic Dearomative Spirocyclization Reactions
by Xiaorui Chen, Changtong Zhu, Luyun Ji, Changmei Liu, Yan Zhang, Yijian Rao and Zhenbo Yuan
Catalysts 2025, 15(7), 673; https://doi.org/10.3390/catal15070673 - 10 Jul 2025
Viewed by 2036
Abstract
Spirocyclic architectures, which feature two rings sharing a single atom, are common in natural products and exhibit beneficial biological and material properties. Due to the significance of these architectures, biocatalytic dearomative spirocyclization has recently emerged as a powerful approach for constructing three-dimensional spirocyclic [...] Read more.
Spirocyclic architectures, which feature two rings sharing a single atom, are common in natural products and exhibit beneficial biological and material properties. Due to the significance of these architectures, biocatalytic dearomative spirocyclization has recently emerged as a powerful approach for constructing three-dimensional spirocyclic frameworks under mild, sustainable conditions and with exquisite stereocontrol. This review surveys the latest advances in biocatalyzed spirocyclization of all-carbon arenes (phenols and benzenes), aza-aromatics (indoles and pyrroles), and oxa-aromatics (furans). We highlight cytochrome P450s, flavin-dependent monooxygenases, multicopper oxidases, and novel metalloenzyme platforms that effect regio- and stereoselective oxidative coupling, epoxidation/semi-pinacol rearrangement, and radical-mediated cyclization to produce diverse spirocycles. Mechanistic insights gleaned from structural, computational, and isotope-labeling studies are discussed where necessary to help the readers further understand the reported reactions. Collectively, these examples demonstrate the transformative potential of biocatalysis to streamline access to spirocyclic scaffolds that are challenging to prepare through traditional methods, underscoring biocatalysis as a transformative tool for synthesizing pharmaceutically relevant spiroscaffolds while adhering to green chemistry paradigms to ultimately contribute to a cleaner and more sustainable future. Full article
(This article belongs to the Section Biocatalysis)
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22 pages, 6102 KB  
Review
Current Developments in Ozone Catalyst Preparation Techniques and Their Catalytic Oxidation Performance
by Jiajia Gao, Siqi Chen, Yun Gao, Wenquan Sun, Jun Zhou, Kinjal J. Shah and Yongjun Sun
Catalysts 2025, 15(7), 671; https://doi.org/10.3390/catal15070671 - 10 Jul 2025
Viewed by 1537
Abstract
Through the use of heterogeneous catalysts, catalytic ozone oxidation technology, an effective and eco-friendly advanced oxidation process (AOP), facilitates the breakdown of ozone into reactive oxygen species (like ·OH) and greatly increases the mineralization efficiency of pollutants. This study examines the development of [...] Read more.
Through the use of heterogeneous catalysts, catalytic ozone oxidation technology, an effective and eco-friendly advanced oxidation process (AOP), facilitates the breakdown of ozone into reactive oxygen species (like ·OH) and greatly increases the mineralization efficiency of pollutants. This study examines the development of heterogeneous ozone catalysts through a critical evaluation of the five primary preparation techniques: ion exchange, sol–gel, coprecipitation, impregnation, and hydrothermal synthesis. Each preparation method’s inherent qualities, benefits, drawbacks, and performance variations are methodically investigated, with an emphasis on how they affect the breakdown of different resistant organic compounds. Even though heterogeneous catalysts are more stable and reusable than homogeneous catalysts, they continue to face issues like active component leaching, restricted mass transfer, and ambiguous mechanisms. In order to determine the key paths for catalyst selection in catalytic ozone treatment going forward, the main goal of this review is to provide an overview of the accomplishments in the field of the heterogeneous ozone catalyst treatment of wastewater that is difficult to degrade. Full article
(This article belongs to the Special Issue Environmentally Friendly Catalysis for Green Future)
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31 pages, 8391 KB  
Review
Recent Advances in Catalyst Innovation, Mechanism Exploration, and Process Optimization for Synthesis of Glycerol Carbonate
by Honglei Sun, Zhenyu Lei, Jinghui Shi and Mingjun Jia
Catalysts 2025, 15(7), 668; https://doi.org/10.3390/catal15070668 - 9 Jul 2025
Cited by 1 | Viewed by 1665
Abstract
The catalytic conversion of bio-based glycerol (Gly) into high-value glycerol carbonate (GC) has received great attention from both the academic and industrial fields. The development of highly efficient catalysts and economical industrial processes remains a challenging subject. In this mini-review, we summary the [...] Read more.
The catalytic conversion of bio-based glycerol (Gly) into high-value glycerol carbonate (GC) has received great attention from both the academic and industrial fields. The development of highly efficient catalysts and economical industrial processes remains a challenging subject. In this mini-review, we summary the recent advances in catalyst design, characterization, mechanism, and catalytic process optimization, including the various synthetic strategies of GC, such as the coupling of CO2 and Gly or its derivatives like glycidol (GD), the transesterification of Gly with small carbonate-containing molecules, and the carbonylation of Gly with urea. The main difficulties and challenges faced by constructing high-performance catalysts and achieving scale production of GC have been put forward, and the future research directions and opportunities in catalyst innovation, reaction mechanism exploration, and continuous catalytic process improvement have also been suggested. Full article
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46 pages, 3942 KB  
Review
Catalytic Fluorination with Modern Fluorinating Agents: Recent Developments and Synthetic Scope
by Muhammad Saeed Akhtar, Mohammad Aslam, Wajid Zaman, Kuppu Sakthi Velu, Seho Sun and Hee Nam Lim
Catalysts 2025, 15(7), 665; https://doi.org/10.3390/catal15070665 - 8 Jul 2025
Viewed by 5952
Abstract
Fluorinated organic molecules have become indispensable in modern chemistry, owing to the unique properties imparted by fluorine to other compounds, including enhanced metabolic stability, controlled lipophilicity, and improved bioavailability. The site-selective incorporation of fluorine atoms into organic frameworks is essential in pharmaceutical, agrochemical, [...] Read more.
Fluorinated organic molecules have become indispensable in modern chemistry, owing to the unique properties imparted by fluorine to other compounds, including enhanced metabolic stability, controlled lipophilicity, and improved bioavailability. The site-selective incorporation of fluorine atoms into organic frameworks is essential in pharmaceutical, agrochemical, and material science research. In recent years, catalytic fluorination has become an important methodology for the efficient and selective incorporation of fluorine atoms into complex molecular architectures. This review highlights advances in catalytic fluorination reactions over the past six years and describes the contributions of transition metal catalysts, photocatalysts, organocatalysts, and electrochemical systems that have enabled site-selective fluorination under a variety of conditions. Particular attention is given to the use of well-defined fluorinating agents, including Selectfluor, N-fluorobenzenesulfonimide (NFSI), AlkylFluor, Synfluor, and hypervalent iodine reagents. These reagents have been combined with diverse catalytic systems, such as AgNO3, Rh(II), Mo-based complexes, Co(II)-salen, and various organocatalysts, including β,β-diaryl serine catalysts, isothiourea catalysts, and chiral phase-transfer catalysts. This review summarizes proposed mechanisms reported in the original studies and discusses examples of electrophilic, nucleophilic, radical, photoredox, and electrochemical fluorination pathways. Recent developments in stereoselective and more sustainable protocols are also examined. By consolidating these strategies, this article provides an up-to-date perspective on catalytic fluorination and its impact on synthetic organic chemistry. Full article
(This article belongs to the Special Issue Sustainable Catalysis for Green Chemistry and Energy Transition)
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18 pages, 4443 KB  
Article
Comparative Study on Ni/MgO-Al2O3 Catalysts for Dry and Combined Steam–CO2 Reforming of Methane
by Tingting Zheng, Yuqi Zhou, Hongjie Cui and Zhiming Zhou
Catalysts 2025, 15(7), 659; https://doi.org/10.3390/catal15070659 - 6 Jul 2025
Viewed by 1196
Abstract
The dry reforming of methane (DRM) and the combined steam–CO2 reforming of methane (CSCRM) are promising routes for syngas production while simultaneously utilizing two major greenhouse gases—CO2 and CH4. In this study, a series of Ni/MgO-Al2O3 [...] Read more.
The dry reforming of methane (DRM) and the combined steam–CO2 reforming of methane (CSCRM) are promising routes for syngas production while simultaneously utilizing two major greenhouse gases—CO2 and CH4. In this study, a series of Ni/MgO-Al2O3 catalysts with varying Mg/Al molar ratios (Ni/MgAl(x), x = 0.5–0.9), along with Ni/MgO and Ni/Al2O3, were synthesized, characterized, and evaluated in both the DRM and CSCRM. Ni/MgO and Ni/Al2O3 exhibited a lower activity due to fewer active sites and a poor CH4/CO2 activation balance. In contrast, Ni/MgAl(0.6), Ni/MgAl(0.7), and Ni/MgAl(0.8) showed an enhanced activity, attributed to more abundant active sites and a more balanced activation of CH4 and CO2. Ni/MgAl(0.7) delivered the best DRM performance, whereas Ni/MgAl(0.8) was optimal for the CSCRM, likely due to its greater number of strong basic sites promoting CO2 and H2O adsorption. At 750 °C and 0.1 MPa over 100 h, Ni/MgAl(0.7) maintained a stable DRM performance (77% CH4 and 86% CO2 conversion; H2/CO = 0.9) at 120 L/(gcat·h), while Ni/MgAl(0.8) achieved a stable CSCRM performance (80% CH4 and 62% CO2 conversion; H2/CO = 2.1) at 132 L/(gcat·h). This study provides valuable insights into designing efficient Ni/MgO-Al2O3 catalysts for targeted syngas production. Full article
(This article belongs to the Section Catalytic Reaction Engineering)
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17 pages, 989 KB  
Article
Combination of aza-Friedel Crafts MCR with Other MCRs Under Heterogeneous Conditions
by Giovanna Bosica and Roderick Abdilla
Catalysts 2025, 15(7), 657; https://doi.org/10.3390/catal15070657 - 6 Jul 2025
Cited by 1 | Viewed by 835
Abstract
Multicomponent reactions (MCRs) enable the efficient assembly of complex small molecules via multiple bond-forming events in a single step. However, individual MCRs typically yield products with similar core structures, limiting access to larger, more intricate scaffolds. Strategic selection of reactants allows the combination [...] Read more.
Multicomponent reactions (MCRs) enable the efficient assembly of complex small molecules via multiple bond-forming events in a single step. However, individual MCRs typically yield products with similar core structures, limiting access to larger, more intricate scaffolds. Strategic selection of reactants allows the combination of distinct MCRs, thus facilitating the synthesis of advanced molecular architectures with potential biological significance. Using our previously reported method for performing the aza-Friedel Crafts multicomponent reaction under green heterogeneous conditions, we have incorporated some of the obtained products into diverse multicomponent reactions to generate, in an unprecedent approach, eight novel products, some of which were also characterized by two-dimensional NMR techniques. The biological properties of such products are under investigation. Full article
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19 pages, 3246 KB  
Article
Direct Conversion of 1,3-Butanediol to 1,3-Butadiene over ZSM-22 Catalysts: Influence of the Si/Al Ratio
by Loïc Eloi, Jeroen Poissonnier, Arne De Landsheere, Dhanjay Sharma, Jaouad Al Atrach, Valérie Ruaux, Valentin Valtchev, Maarten K. Sabbe, Joris W. Thybaut and An Verberckmoes
Catalysts 2025, 15(7), 655; https://doi.org/10.3390/catal15070655 - 5 Jul 2025
Cited by 1 | Viewed by 1342
Abstract
ZSM-22 zeolites with different Si/Al ratios (38, 50, 80) were prepared via a hydrothermal synthesis method, investigated for the catalytic dehydration of 1,3-butanediol (1,3-BDO) to butadiene (BD) at 300 °C. The catalytic performance of the synthesized materials was related to their properties and [...] Read more.
ZSM-22 zeolites with different Si/Al ratios (38, 50, 80) were prepared via a hydrothermal synthesis method, investigated for the catalytic dehydration of 1,3-butanediol (1,3-BDO) to butadiene (BD) at 300 °C. The catalytic performance of the synthesized materials was related to their properties and compared to a commercial ZSM-22 zeolite (Si/Al = 30). ZSM-22 (50) exhibited a quick decline in conversion, a lower BD selectivity, and higher propylene selectivity compared to the other materials, which could be attributed to the presence of strong Lewis acid sites and silanol nests. The Lewis sites favor the cracking of the intermediate 3-buten-1-ol (3B1OL) into propylene, while the silanol nests interact with the free hydroxyl group of 3B1OL, potentially inhibiting further dehydration towards BD. The highest initial BD yield of 74% was observed over ZSM-22 (80), while the highest initial BD productivity of 2.7 gBD·g−1cata·h−1 was achieved over ZSM-22 (38). After 22 h time on stream (TOS), c-ZSM-22 and ZSM-22 (38) outperformed previously reported catalysts from the literature, with productivities amounting to 1.3 gBD·g−1cata·h−1 and 1.2 gBD·g−1cata·h−1, respectively, at a site time of 6.6 molH+·s·mol−11,3-BDO. Full article
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38 pages, 6778 KB  
Review
Challenges and Opportunities for g-C3N4-Based Heterostructures in the Photodegradation of Environmental Pollutants
by Eduardo Estrada-Movilla, Jhonathan Castillo-Saenz, Benjamín Valdez-Salas, Álvaro Ortiz-Pérez, Ernesto Beltrán-Partida, Jorge Salvador-Carlos and Esneyder Puello-Polo
Catalysts 2025, 15(7), 653; https://doi.org/10.3390/catal15070653 - 4 Jul 2025
Cited by 1 | Viewed by 1912
Abstract
Graphitic carbon nitride (g-C3N4) is emerging as one of the most promising non-metallic semiconductors for the degradation of pollutants in water by photocatalytic processes. Its exceptional reduction–oxidation (redox) potentials and adequate band gap of approximately 2.7 eV give it [...] Read more.
Graphitic carbon nitride (g-C3N4) is emerging as one of the most promising non-metallic semiconductors for the degradation of pollutants in water by photocatalytic processes. Its exceptional reduction–oxidation (redox) potentials and adequate band gap of approximately 2.7 eV give it the ability to absorb in the visible light range. However, the characteristic sensitivity to light absorption is limited, leading to rapid recombination of electron–hole pairs. Therefore, different strategies have been explored to optimize this charge separation, among which the formation of heterostructures based on g-C3N4 is highlighted. This review addresses recent advances in photocatalysis mediated by g-C3N4 heterostructures, considering the synthesis methods enabling the optimization of the morphology and active interface of these materials. Next, the mechanisms of charge transfer are discussed in detail, with special emphasis on type II, type S, and type Z classifications and their influence on the efficiency of photodegradation. Subsequently, the progress in the application of these photocatalysts for the degradation of water pollutants, such as toxic organic dyes, pharmaceutical pollutants, pesticides, and per- and polyfluoroalkyl substances (PFAS), are analyzed, highlighting both experimental advances and remaining challenges. Finally, future perspectives oriented towards the optimization of heterostructures, the efficiency of synthesis methods, and the practical application of these in photocatalytic processes for environmental remediation. Full article
(This article belongs to the Special Issue Design and Synthesis of Nanostructured Catalysts, 3rd Edition)
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15 pages, 1943 KB  
Article
Theoretical Study on the Influence of Building Blocks in Benzotrithiophene-Based Covalent Organic Frameworks for Optoelectronic Properties
by Xu Li, Yue Niu, Kexin Ma, Xin Huang, Qingji Wang and Zhiqiang Liang
Catalysts 2025, 15(7), 647; https://doi.org/10.3390/catal15070647 - 2 Jul 2025
Cited by 2 | Viewed by 963
Abstract
Covalent organic frameworks (COFs) have emerged as unique catalysts for photocatalysis; however, the relationship between their building block units and optoelectronic properties remains elusive. Herein, we explored the influence of building blocks on the optoelectronic properties of benzotrithiophene-based COFs (BTT-COFs) using density functional [...] Read more.
Covalent organic frameworks (COFs) have emerged as unique catalysts for photocatalysis; however, the relationship between their building block units and optoelectronic properties remains elusive. Herein, we explored the influence of building blocks on the optoelectronic properties of benzotrithiophene-based COFs (BTT-COFs) using density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The calculation results suggested that three critical factors—the conjugated structure, planarity, and the introduction of nitrogen heteroatoms—significantly influenced charge separation and transfer within BTT-COFs. Structure–property relationships were established through several critical quantitative parameters, such as Sr, t, and CT. Among seven BTT-COFs, BTT-Tpa (Tpa: 4,4′,4″-triaminotriphenylamine) exhibited the most efficient charge separation and the highest charge transfer capability due to the electronegativity of triphenylamine, the delocalization of its lone pair electrons, and its unique star-shaped configuration. These theoretical results will provide an essential foundation for selecting donor–acceptor units in the design of novel COF materials for photocatalytic reaction applications. Full article
(This article belongs to the Section Computational Catalysis)
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14 pages, 3484 KB  
Article
Al2O3@SiO2 Supported NiMo Catalyst with Hierarchical Meso-Macroporous Structure for Hydrodemetallization
by Weichu Li, Jun Bao, Shuangqin Zeng, Jinbao Zheng, Weiping Fang, Xiaodong Yi, Qinghe Yang and Weikun Lai
Catalysts 2025, 15(7), 646; https://doi.org/10.3390/catal15070646 - 1 Jul 2025
Viewed by 930
Abstract
The pore structure of a hydrotreating catalyst plays a pivotal role in hydrodemetallization (HDM) reactions. To effectively construct a meso-macroporous catalyst, we employed a CTAB-guided in situ TEOS hydrolysis approach to prepare silica-coated γ-Al2O3@SiO2 composite supports. The silica [...] Read more.
The pore structure of a hydrotreating catalyst plays a pivotal role in hydrodemetallization (HDM) reactions. To effectively construct a meso-macroporous catalyst, we employed a CTAB-guided in situ TEOS hydrolysis approach to prepare silica-coated γ-Al2O3@SiO2 composite supports. The silica shell incorporation significantly enhances specific surface area and reduces the metal–support interactions, thereby improving the dispersion of NiMo active components and boosting the deposition of metal impurity. Hence, the NiMo/Al2O3@SiO2 catalyst (2.8 wt.% NiO, 4.3 wt.% MoO3) exhibits much higher HDM activity than that of NiMo/Al2O3. This is evidenced by markedly higher demetallization rate constant (1.38 h−1) and turnover frequency (0.56 h−1) of the NiMo/Al2O3@SiO2. The NiMo/Al2O3@SiO2 catalyst further demonstrates excellent recyclability during sequential HDM reactions. This superior catalytic behavior stems from the hierarchical meso-macroporous structure, which simultaneously facilitates the deposition of metal impurities and mitigates deactivation by pore blockage. Full article
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20 pages, 4449 KB  
Article
Boosting Dual Hydrogen Electrocatalysis with Pt/NiMo Catalysts: Tuning the Ni/Mo Ratio and Minimizing Pt Usage
by Luis Fernando Cabanillas-Esparza, Edgar Alonso Reynoso-Soto, Balter Trujillo-Navarrete, Brenda Alcántar-Vázquez, Carolina Silva-Carrillo and Rosa María Félix-Navarro
Catalysts 2025, 15(7), 633; https://doi.org/10.3390/catal15070633 - 28 Jun 2025
Cited by 1 | Viewed by 1603
Abstract
The development of efficient platinum group metal-free (PGM-free) catalysts for the hydrogen evolution reaction (HER) and the hydrogen oxidation reaction (HOR) is essential for advancing hydrogen-based energy technologies. In this study, NixMo100−x composites supported on Carbon Ketjenblack EC-300J (CK) were [...] Read more.
The development of efficient platinum group metal-free (PGM-free) catalysts for the hydrogen evolution reaction (HER) and the hydrogen oxidation reaction (HOR) is essential for advancing hydrogen-based energy technologies. In this study, NixMo100−x composites supported on Carbon Ketjenblack EC-300J (CK) were synthesized via thermal reduction under a controlled Ar/H2 (95:5) atmosphere to investigate the effect of the Ni/Mo molar ratio on electrocatalytic performance. Structural and morphological analyses by XRD and TEM confirmed the formation of the NiMo alloys and carbide phases with controlled particle size distributions (~18 nm), while BET measurements revealed specific surface areas up to 124.69 m2 g−1 for the Pt-loaded samples. Notably, the 3% Pt/Ni90Mo10-CK catalyst exhibited outstanding bifunctional activity in a half-cell configuration, achieving an overpotential of 65.2 mV and a Tafel slope of 41.6 mV dec−1 for the HER, and a Tafel slope of 32.9 mV dec−1 with an exchange current density of 1.03 mA cm−2 for the HOR. These results demonstrate that compositional tuning and minimal Pt incorporation synergistically enhance the catalytic efficiency, providing a promising platform for next-generation hydrogen electrocatalysts. Full article
(This article belongs to the Special Issue Electrocatalytic Hydrogen and Oxygen Evolution Reaction)
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30 pages, 48472 KB  
Article
Polyurethane@CeO2 Nanozyme Core–Shell Fibrous Membranes for Enhanced Wound Healing via Balanced Redox Modulation
by Yuping Li, Jinzheng Zhang, Xiaoyu Lei, Li Li, Bo Mu, Qingda Du, Yubao Li and Yi Zuo
Catalysts 2025, 15(7), 617; https://doi.org/10.3390/catal15070617 - 22 Jun 2025
Viewed by 1153
Abstract
This study designed a polyurethane core–shell fiber (PU CSF) wound dressing, which achieved unique redox catalytic function by loading nanoceria (n-CeO2) nanozyme and effectively reduced potential side effects. The stability of ceria nanoparticles with superoxide dismutase (SOD) mimetic activity was optimized. [...] Read more.
This study designed a polyurethane core–shell fiber (PU CSF) wound dressing, which achieved unique redox catalytic function by loading nanoceria (n-CeO2) nanozyme and effectively reduced potential side effects. The stability of ceria nanoparticles with superoxide dismutase (SOD) mimetic activity was optimized. Engineered PU CSFs with different doses of citrate-modified nanospheres (CeO2@PU CSFs) were successfully fabricated via electrospinning and showed excellent SOD-mimetic activity in reducing oxidative stress both in vitro and in vivo. Notably, low-dose nanoceria PU CSFs demonstrated advantages in promoting wound healing and reducing scar formation compared to high-dose and SOD-loaded groups (p < 0.05), despite lower reactive oxygen species (ROS) scavenging capacity (p < 0.001). Transcriptome analysis revealed distinct mechanisms in rat skin studies: the CeO2-loaded dressing systemically downregulated cell activation- and innate immunity-related genes (Fos, Trpm2, Cybb, and Nlrc4), while the SOD-loaded group specifically regulated inflammation mediated by oxidative stress (IL17a and Ccl20). The optimized core–shell structure and low-dose nanoceria provided balanced redox modulation, effectively protecting cells from oxidative damage while providing a multifunctional therapeutic platform for damaged wound healing. Full article
(This article belongs to the Special Issue Advances in Enzymes for Industrial Biocatalysis)
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27 pages, 2644 KB  
Review
Biomass-Derived Tar Conversion via Catalytic Post-Gasification in Circulating Fluidized Beds: A Review
by Hugo de Lasa, Nicolas Torres Brauer, Floria Rojas Chaves and Benito Serrano Rosales
Catalysts 2025, 15(7), 611; https://doi.org/10.3390/catal15070611 - 20 Jun 2025
Cited by 1 | Viewed by 1916
Abstract
Waste biomass gasification can contribute to the production of alternative and environmentally sustainable green fuels. Research at the CREC–UWO (Chemical Reactor Engineering Center–University of Western Ontario) considers an integrated gasification process where both electrical power, biochar, and tar-free syngas suitable for alcohol synthesis [...] Read more.
Waste biomass gasification can contribute to the production of alternative and environmentally sustainable green fuels. Research at the CREC–UWO (Chemical Reactor Engineering Center–University of Western Ontario) considers an integrated gasification process where both electrical power, biochar, and tar-free syngas suitable for alcohol synthesis are produced. In particular, the present review addresses the issues concerning tar removal from the syngas produced in a waste biomass gasifier via a catalytic post-gasification (CPG) downer unit. Various questions concerning CPG, such as reaction conditions, thermodynamics, a Tar Conversion Catalyst (TCC), and tar surrogate chemical species that can be employed for catalyst performance evaluations are reported. Catalyst performance-reported results were obtained in a fluidizable CREC Riser Simulator invented at CREC–UWO. The present review shows the suitability of the developed fluidizable Ni–Ceria γ-alumina catalyst, given the high level of tar removal it provides, the minimum coke that is formed with its use, and the adequate reforming of the syngas exiting the biomass waste gasifier, suitable for alcohol synthesis. Full article
(This article belongs to the Section Catalytic Reaction Engineering)
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32 pages, 5534 KB  
Review
Applications of Quantum Dots in Photo-Based Advanced Oxidation Processes for the Degradation of Contaminants of Emerging Concern—A Review
by Grzegorz Matyszczak, Albert Yedzikhanau, Christopher Jasiak, Natalia Bojko and Krzysztof Krawczyk
Catalysts 2025, 15(6), 591; https://doi.org/10.3390/catal15060591 - 14 Jun 2025
Viewed by 2235
Abstract
Nanomaterials are interesting due to their unexpected and unique properties arising from phenomena occurring at the so-called mesoscale (that is, between single atoms and bulk solids). Among nanomaterials, one may distinguish quantum dots, which are highly crystalline nanocrystals with sizes up to c.a. [...] Read more.
Nanomaterials are interesting due to their unexpected and unique properties arising from phenomena occurring at the so-called mesoscale (that is, between single atoms and bulk solids). Among nanomaterials, one may distinguish quantum dots, which are highly crystalline nanocrystals with sizes up to c.a. 10 nm. Due to the quantum confinement effect, quantum dots exhibit extraordinary electronic and optical properties and may be utilized in photocatalysis. Semiconducting quantum dots may absorb photons, which results in the excitation of electrons from valence to conducting bands. Excited electrons in the conducting band and positive holes in the valence band may interact with chemical molecules (e.g., with water molecules), forming highly reactive radicals. Consequently, quantum dots may be utilized in advanced oxidation processes based on the action of light (i.e., photo-based advanced oxidation processes). Furthermore, quantum dots have advantages, such as having a tunable energy band gap and relative cost-effectiveness. Advanced oxidation processes are very important in the context of the constantly increasing pollution of the natural environment. Contaminants of emerging concern, such as pesticides, endocrine-disrupting compounds, and flame retardants, are still being detected in naturally present water. Such compounds may be degraded using advanced oxidation processes, utilizing quantum dots as photocatalysts. However, many operational parameters (such as quantum dots’ properties, including the means of their preparation) influence the efficiency of such processes; thus, detailed studies are being conducted. Full article
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