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Electrolysis of Liquefied Biomass for Sustainable Hydrogen and Organic Compound Production: A Biorefinery Approach
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Oxides for Pt Capture in the Ammonia Oxidation Process—A Screening Study
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A Fast and Efficient Response Surface Approach for the Optimization of the Gas-Phase Hydrogenation of Carbon Dioxide on Nickel-Based Catalysts
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Design and Synthesis of 7-(N-Aryl Pyrrolidinyl) Indoles as Potential DCAF15 Binders
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CASPT2 Study of the Unimolecular Reactions of Nitromethane—A Look at the Roaming Reactions in the Decomposition of Nitromethane: An Exergonic Route at High Temperatures
Journal Description
Reactions
Reactions
is an international, peer-reviewed, open access journal on reaction chemistry and engineering published quarterly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within ESCI (Web of Science), Scopus, EBSCO, and other databases.
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 20.6 days after submission; acceptance to publication is undertaken in 3.8 days (median values for papers published in this journal in the second half of 2024).
- Recognition of Reviewers: APC discount vouchers, optional signed peer review, and reviewer names published annually in the journal.
Impact Factor:
2.2 (2023);
5-Year Impact Factor:
2.1 (2023)
Latest Articles
Biofilm Inhibition Against Staphylococcus aureus and Alizarin Red Dye-Removing Capability of Plant-Based Green Synthesis of Lanthanum Oxide (La2O3NPs) Nanoparticles
Reactions 2025, 6(2), 32; https://doi.org/10.3390/reactions6020032 - 2 May 2025
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The unique properties of lanthanum oxide nanoparticles (La2O3NPs) make them highly suitable for various environmental applications. This study explores the plant-based synthesis of La2O3NPs using Drypetes sepiaria as a reducing agent. The synthesized La2
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The unique properties of lanthanum oxide nanoparticles (La2O3NPs) make them highly suitable for various environmental applications. This study explores the plant-based synthesis of La2O3NPs using Drypetes sepiaria as a reducing agent. The synthesized La2O3NPs were characterized through a range of spectroscopic and microscopic techniques. Scanning electron microscopy (SEM) revealed that the La2O3NPs have an uneven surface and a stony appearance. A morphological analysis indicated that the nanoparticles range in size from 20 to 50 nm. The appreciable band gap energy values were concluded as 5.5 eV. The crystal structure and elemental composition were determined using X-ray diffraction (XRD) and energy-dispersive spectroscopy (EDS). The results from the microplate assay method demonstrated enhanced anti-biofilm properties, and photocatalytic tests showed significant dye-degradation capabilities. The degradation efficiency and zone inhibition values of the La2O3NPs were found to be 90.12% and 39.18%, respectively.
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Open AccessArticle
Fischer–Tropsch Synthesis: Effect of CO Conversion over Ru/NaY Catalyst
by
Wenping Ma, Jia Yang, Gary Jacobs and Dali Qian
Reactions 2025, 6(2), 31; https://doi.org/10.3390/reactions6020031 - 1 May 2025
Abstract
Unlike on Fe and Co catalysts, the CO conversion effect on Ru catalyst performance is little reported. This study is undertaken to explore the issue using a series of Ru/NaY catalysts under 200–230 °C, 2.0 MPa, H2/CO = 2, and 10–60%
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Unlike on Fe and Co catalysts, the CO conversion effect on Ru catalyst performance is little reported. This study is undertaken to explore the issue using a series of Ru/NaY catalysts under 200–230 °C, 2.0 MPa, H2/CO = 2, and 10–60% CO conversion in a 1 L continuous stirred tank reactor (CSTR). The results are comparatively studied with those of Fe and Co catalysts reported previously. The NaY support and four 1.0%, 2.5%, 5.0%, and 7.5% Ru/NaY catalysts were characterized by BET, H2 chemisorption, H2O-TPD, XRD, HRTEM, and XANES/EXAFS techniques. The BET and XRD results suggest a high surface area (730 m2/g), high degree of crystallinity of the NaY support, and high dispersion of Ru, while an hcp Ru structure and well-reduced Ru were reflected in the HR-TEM FFT and XANES/EXAFS results. The reaction results indicate that the CO conversion effect on CH4 and C5+ selectivities on the Ru is the same as that on the Fe and Co catalysts, with CH4 selectivity decreasing and C5+ selectivity increasing with increasing CO conversion. However, the CO conversion effect on olefin formation for the Ru catalyst was found to be opposite to that of the Fe and Co; increasing CO conversion enhanced olefin formation but suppressed secondary reactions of 1-olefins. The H2O cofeeding experiments showed that H2O impacted olefin formation by suppressing hydrogen adsorption and hydrogenation. The H2O-TPD experiment evidenced a much stronger H2O adsorption capacity (6.8 mmol/g-cat) on Ru followed by Co (1 mmol/g-cat), and then Fe (0.2 mmol/g-cat)., which showed only a very low H2O adsorption capacity.This finding may explain the opposite CO conversion effect on olefin formation observed on the Ru catalyst, and may also explain why low CH4 selectivity (i.e., 3%) occurred on the Ru catalyst and high CH4 selectivity (i.e., 6–8%) occurred on the Co catalyst, both of which possess low water gas shift (WGS) activity.
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(This article belongs to the Special Issue Fischer-Tropsch Synthesis: Bridging Carbon Sustainability)
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Efficient Copolymerization of CO2 and Propylene Oxide via ZnGA/Zn-Co DMC Composite Catalysts: Synergistic Catalysis for High-Performance Polypropylene Carbonate
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Shuqin Miao, Xiaojiong Wu, Delong Ding, Chunliang Ge, Weihua Shen, Yi Yang and Yunjin Fang
Reactions 2025, 6(2), 30; https://doi.org/10.3390/reactions6020030 - 29 Apr 2025
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Polypropylene carbonate (PPC) is a biodegradable material derived from propylene oxide (PO) with the renewable resource CO2. In this study, PPC was prepared by the catalytic polymerization of CO2 with PO using a zinc glutarate/zinc cobalt double metal cyanide (ZnGA/DMC)
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Polypropylene carbonate (PPC) is a biodegradable material derived from propylene oxide (PO) with the renewable resource CO2. In this study, PPC was prepared by the catalytic polymerization of CO2 with PO using a zinc glutarate/zinc cobalt double metal cyanide (ZnGA/DMC) composite catalyst prepared from two heterogeneous catalysts, zinc glutarate (ZnGA) and zinc cobalt double metal cyanide (Zn-Co DMC). High selectivity of PPC was achieved among the polymer and propylene carbonate. The prepared PPC had high molecular weight. The thermal stability of the PPC product was obviously improved by the optimization of the reaction conditions. The catalytic effect of the composite catalyst was superior to that of individual ZnGA and Zn-Co DMC, overcoming the shortcomings of those two catalysts. And the composite catalyst also stimulated some synergistic effects between the two composites, which significantly improved the catalytic effect.
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Open AccessArticle
Two-Dimensional Lamellar Stacked Bi2O3/CeO2 Type-II Heterojunctions Promote Carrier Separation to Enhance Ciprofloxacin Oxidation
by
Lihong Chen, Xiufei Zhao, Kuo Zhang, Biyu Wu, Xiao Yang, Haonan Zou, Lei Zhang, Huahao Shao, Tianyi Ma, Hu Zhou and Yusheng Zhang
Reactions 2025, 6(2), 29; https://doi.org/10.3390/reactions6020029 - 23 Apr 2025
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The development of efficient and stable photocatalysts is critical for addressing water pollution challenges caused by persistent organic contaminants. However, single-component photocatalysts often suffer from rapid photogenerated carrier recombination and limited visible-light absorption. In this study, a two-dimensional lamellar stacked Bi2O
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The development of efficient and stable photocatalysts is critical for addressing water pollution challenges caused by persistent organic contaminants. However, single-component photocatalysts often suffer from rapid photogenerated carrier recombination and limited visible-light absorption. In this study, a two-dimensional lamellar stacked Bi2O3/CeO2 type-II heterojunction photocatalyst (BC) was successfully synthesized in situ by a topological transformation strategy induced by high-temperature oxidation of monolithic Bi. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) analyses confirmed the uniform distribution of Bi2O3 nanosheets on CeO2 surfaces, forming an intimate interfacial contact that enhances charge separation and transfer efficiency. Photoluminescence (PL) spectroscopy, UV–visible diffuse reflectance spectroscopy (DRS), and electrochemical characterization revealed extended visible-light absorption (up to 550 nm) and accelerated electron migration in the heterojunction. Under simulated sunlight, the optimized BOC (3:1) composite exhibited a ciprofloxacin (CIP) degradation rate constant 2.30 and 5.63 times higher than pure Bi2O3 and CeO2, respectively. Theoretical calculations validated the type-II band alignment with conduction and valence band offsets of 0.07 eV and 0.17 eV, which facilitated efficient spatial separation of photogenerated carriers. This work provides a rational strategy for designing heterojunction photocatalysts and advancing their application in water purification.
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Open AccessArticle
Sustainable Reduction of Strontium Sulfate Using Bioethanol: A Pathway to Carbon-Neutral SrS Production
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Javier E. Morales-Mendoza, Jorge L. Domínguez-Arvizu, Alma B. Jasso-Salcedo, Blanca C. Hernández-Majalca, José L. Bueno-Escobedo, Alejandro López-Ortiz and Virginia H. Collins-Martínez
Reactions 2025, 6(2), 28; https://doi.org/10.3390/reactions6020028 - 21 Apr 2025
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Achieving net-zero carbon emissions, this study introduces a sustainable pathway for reducing strontium sulfate (SrSO4) and celestite ore to strontium sulfide (SrS) using biofuels (biomethane, bioethanol) derived from agro-industrial waste and green hydrogen. Traditional SrSO4 reduction methods, which rely on
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Achieving net-zero carbon emissions, this study introduces a sustainable pathway for reducing strontium sulfate (SrSO4) and celestite ore to strontium sulfide (SrS) using biofuels (biomethane, bioethanol) derived from agro-industrial waste and green hydrogen. Traditional SrSO4 reduction methods, which rely on fossil-derived reductants like coal and operate at energy-intensive temperatures (1100–1200 °C), generate significant greenhouse gases and toxic byproducts, highlighting the need for eco-friendly alternatives. Experimental results demonstrate that bioethanol outperformed other reductants, achieving 97% conversion of synthetic SrSO4 at 950 °C within 24 min and 74% conversion of natural celestite ore over 6 h. Remarkably, this bioethanol-driven process matches the energy efficiency of the conventional black ash method while enabling carbon neutrality through renewable feedstock utilization, reducing CO2 emissions by 30–50%. By valorizing agro-industrial waste streams, this strategy advances circular economy principles and aligns with Mexico’s national agenda for sustainable industrial practices, including its commitment to decarbonizing heavy industries. This study contributes to sustainable development goals and offers a scalable solution for decarbonizing strontium compound production in the chemical industry.
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Investigating the Ag–Support Interaction in Silver Catalysts for Soot Combustion: The Importance of Coordination of Al3+ Ions in the Support
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Ewa M. Iwanek (nee Wilczkowska), Aleksandra Goździk and Zbigniew Kaszkur
Reactions 2025, 6(2), 27; https://doi.org/10.3390/reactions6020027 - 18 Apr 2025
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This study shows how important the coordination of Al3+ ions in the silver support is for the overall activity in soot combustion. Five silver catalysts with a silver content of 14.7 wt.% were prepared using the following supports: α-Al2O3
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This study shows how important the coordination of Al3+ ions in the silver support is for the overall activity in soot combustion. Five silver catalysts with a silver content of 14.7 wt.% were prepared using the following supports: α-Al2O3, which has only octahedrally coordinated Al3+, θ-Al2O3, which has both octahedrally and tetrahedrally coordinated Al3+, and zeolites, which contain only tetrahedrally coordinated Al3+: 10X, 13X, and 5A. The analysis of the diffraction patterns showed that silver on the surface of catalysts made with the first four supports was mainly in the metallic form, except for Ag/5A in which there was a lack of reflections from Ag0 in the XRD pattern. Nevertheless, the difference in the activity of the support and the catalyst as well as the EDX results indicate the presence of silver on the catalyst. The SEM-EDX analysis showed that the silver dispersion strongly depends on the support and that even the zeolites with large silver particles on the surface have silver evenly distributed across the surface. The activity of the catalysts decreased in the following series: Ag/Al 1200 > Ag/5A ≈ Ag/13X > Ag/10X ≈ Ag/Al 550. Time-of-Flight Secondary Ion Mass Spectrometry was used to delve into the reason why the catalyst with the low-surface area α-Al2O3 support yielded a better catalyst than that obtained using the high-surface area alumina support and showed that different ratios of secondary ions were emitted from the two surfaces.
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Open AccessArticle
Hexoses Biorefinery: Driving Glucose Dehydration over Sulfonic Polymer and Hybrid Acid Catalysts
by
Kryslaine M. A. Santos, Simone J. Canhaci, Rafael F. Perez and Marco A. Fraga
Reactions 2025, 6(2), 26; https://doi.org/10.3390/reactions6020026 - 12 Apr 2025
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Glucose is the most abundant monosaccharide as it is the primary unit of cellulose and starch, which are the more relevant feedstocks for biorefineries. Dehydration of glucose can lead to anhydroglucoses, whose interest has been increasing due to its potential industrial use. Commercial
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Glucose is the most abundant monosaccharide as it is the primary unit of cellulose and starch, which are the more relevant feedstocks for biorefineries. Dehydration of glucose can lead to anhydroglucoses, whose interest has been increasing due to its potential industrial use. Commercial sulfonic polymer resins and a synthesized organic–inorganic mesoporous material were taken as Brønsted acid catalysts. High hexose conversion (up to 98%) and selectivity to anhydroglucoses (~80%) could be reached, turning this process into an alternative route to carbohydrate pyrolysis that presents an energy-intensive downstream. Hexose conversion to anhydroglucoses was related to the amount of acid sites, and the removal of one molecule of water from hexoses to produce anhydroglucoses was found as the preferential dehydration route over a bare Brønsted acid catalyst in anhydrous polar aprotic solvent (DMF) at mild conditions. Product distribution changed dramatically upon catalyst deactivation with HMF and fructose emerging as relevant products. It was suggested that an additional Lewis surface is produced during the deactivation process, probably arising from the formation of insoluble high molecular weight compounds in acidic media.
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Open AccessReview
Photocatalytic Degradation of Methyl Orange in Wastewater Using TiO2-Based Coatings Prepared by Plasma Electrolytic Oxidation of Titanium: A Review
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Stevan Stojadinović
Reactions 2025, 6(2), 25; https://doi.org/10.3390/reactions6020025 - 8 Apr 2025
Abstract
This review analyzes TiO2-based coatings formed by the plasma electrolytic oxidation (PEO) process of titanium for the photocatalytic degradation of methyl orange (MO) under simulated solar irradiation conditions. PEO is recognized as a useful technique for creating oxide coatings on various
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This review analyzes TiO2-based coatings formed by the plasma electrolytic oxidation (PEO) process of titanium for the photocatalytic degradation of methyl orange (MO) under simulated solar irradiation conditions. PEO is recognized as a useful technique for creating oxide coatings on various metals, particularly titanium, to assist in the degradation of organic pollutants. TiO2-based photocatalysts in the form of coatings are more practical than TiO2-based photocatalysts in the form of powder because the photocatalyst does not need to be recycled and reused after wastewater degradation treatment, which is an expensive and time-consuming process. In addition, the main advantage of PEO in the synthesis of TiO2-based photocatalysts is its short processing time (a few minutes), as it excludes the annealing step needed to convert the amorphous TiO2 into a crystalline phase, a prerequisite for a possible photocatalytic application. Pure TiO2 coatings formed by PEO have a low photocatalytic efficiency in the degradation of MO, which is due to the rapid recombination of the photo-generated electron/hole pairs. In this review, recent advances in the sensitization of TiO2 with narrow band gap semiconductors (WO3, SnO2, CdS, Sb2O3, Bi2O3, and Al2TiO5), doping with rare earth ions (example Eu3+) and transition metals (Mn, Ni, Co, Fe) are summarized as an effective strategy to reduce the recombination of photo-generated electron/hole pairs and to improve the photocatalytic efficiency of TiO2 coatings.
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(This article belongs to the Special Issue Feature Papers in Reactions in 2025)
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Study on the Anti-Photocorrosion Mechanism of Novel Self-Assembled Spherical Cu2O/FePO4 Z-Scheme Heterojunctions
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Kuo Zhang, Xiufei Zhao, Hang Qian, Lihong Chen, Biyu Wu, Xiao Yang, Haonan Zou, Yujiao Hu, Feng Chen, Borong Liao, Hu Zhou, Lei Zhang, Tianyi Ma and Yusheng Zhang
Reactions 2025, 6(2), 24; https://doi.org/10.3390/reactions6020024 - 7 Apr 2025
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Cu2O, a narrow-bandgap semiconductor with visible light absorption capabilities, faces limitations in photocatalytic applications due to photocorrosion from hole self-oxidation and insufficient light absorption. In this work, a series of novel spherical Cu2O/FePO4 Z-scheme heterojunctions were successfully synthesized
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Cu2O, a narrow-bandgap semiconductor with visible light absorption capabilities, faces limitations in photocatalytic applications due to photocorrosion from hole self-oxidation and insufficient light absorption. In this work, a series of novel spherical Cu2O/FePO4 Z-scheme heterojunctions were successfully synthesized via self-assembly to overcome these challenges. The photocurrent, electrical impedance spectroscopy (EIS), and photoluminescence (PL) tests showed that Cu2O/1.5FePO4 (CF1.5) had excellent electron hole separation efficiency. Subsequently, photocatalytic degradation was utilized as a probing technique to further confirm the above conclusions, with the kinetic reaction constants of CF1.5 being 2.46 and 11.23 times higher than those of Cu2O and FePO4, respectively. After five cycles of experiments and XPS analysis, it was found that the content of Cu(I) in CF1.5 did not significantly decrease after the reaction, indicating that it has superior anti-photocorrosion performance compared to single Cu2O, which is also due to the establishment of a Z-scheme heterojunction. Systematic studies using radical scavenging experiments and ESR tests identified ·OH and ·O2− as the main active species involved in photocatalysis. The formation of a Z-scheme heterojunction not only enhances the photocatalytic activity of the CF1.5 composite but also effectively suppresses the photocorrosion of Cu2O, thereby offering a promising approach for enhancing anti-photocorrosion of Cu2O.
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Open AccessArticle
Photocatalytic and Photo-Fenton-like Degradation of Cationic Dyes Using SnFe2O4/g-C3N4 Under LED Irradiation: Optimization by RSM-BBD and Artificial Neural Networks (ANNs)
by
Yassine Elkahoui, Fatima-Zahra Abahdou, Majda Ben Ali, Said Alahiane, Mohamed Elhabacha, Youssef Boutarba and Souad El Hajjaji
Reactions 2025, 6(2), 23; https://doi.org/10.3390/reactions6020023 - 28 Mar 2025
Abstract
The development of heterostructures incorporating photocatalysts optimized for visible-light activity represents a major breakthrough in the field of environmental remediation research, offering innovative and sustainable solutions for environmental purification. This study explores the photocatalytic capabilities of a SnFe2O4/g-C3
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The development of heterostructures incorporating photocatalysts optimized for visible-light activity represents a major breakthrough in the field of environmental remediation research, offering innovative and sustainable solutions for environmental purification. This study explores the photocatalytic capabilities of a SnFe2O4/g-C3N4 heterojunction nanocomposite, successfully synthesized from graphitic carbon nitride (g-C3N4) and tin ferrate (SnFe2O4) and applied to the degradation of the cationic dye brilliant cresyl blue (BCB) in an aqueous solution. These two components are particularly attractive due to their low cost and ease of fabrication. Various characterization techniques, including XRD, FTIR, SEM, and TEM, were used to confirm the successful integration of SnFe2O4 and g-C3N4 phases in the synthesized catalysts. The photocatalytic and photo-Fenton-like activity of the heterojunction composites was evaluated by the degradation of brilliant cresyl blue under visible LED illumination. Compared to the pure components SnFe2O4 and g-C3N4, the SnFe2O4/g-C3N4 nanocomposite demonstrated a superior photocatalytic performance. Furthermore, the photo-Fenton-like performance of the composites is much higher than the photocatalytic performances. The significant improvement in photo-Fenton activity is attributed to the synergistic effect between SnFe2O4 and g-C3N4, as well as the efficient separation of photoexcited electron/hole pairs. The recyclability of the SnFe2O4/g-C3N4 composite toward BCB photo-Fenton like degradation was also shown. This study aimed to assess the modeling and optimization of photo-Fenton-like removal BCB using the SnFe2O4/g-C3N4 nanomaterial. The main parameters (photocatalyst dose, initial dye concentration, H2O2 volume, and reaction time) affecting this system were modeled by two approaches: a response surface methodology (RSM) based on a Box–Behnken design and artificial neural network (ANN). A comparison was made between the predictive accuracy of RSM for brilliant cresyl blue (BCB) removal and that of the artificial neural network (ANN) approach. Both methodologies provided satisfactory and comparable predictions, achieving R2 values of 0.97 for RSM and 0.99 for ANN.
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(This article belongs to the Special Issue Feature Papers in Reactions in 2025)
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Comparative Study of Greener Alkene Epoxidation Using a Polymer-Supported Mo(VI) Complex: Performance Evaluation and Optimisation via Response Surface Methodology
by
Md Masud Rana Bhuiyan and Basudeb Saha
Reactions 2025, 6(2), 22; https://doi.org/10.3390/reactions6020022 - 24 Mar 2025
Abstract
A heterogeneous polybenzimidazole-supported Mo(VI) catalyst and tert-butyl hydroperoxide (TBHP) as an oxidising reagent have been utilised to establish a more environmentally friendly and greener alkene epoxidation process. A polybenzimidazole-supported Mo(VI) complex (PBI.Mo) has been prepared, characterised and evaluated successfully. The stability and
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A heterogeneous polybenzimidazole-supported Mo(VI) catalyst and tert-butyl hydroperoxide (TBHP) as an oxidising reagent have been utilised to establish a more environmentally friendly and greener alkene epoxidation process. A polybenzimidazole-supported Mo(VI) complex (PBI.Mo) has been prepared, characterised and evaluated successfully. The stability and catalytic activity of the produced catalyst have been evaluated for the epoxidation of 1,7-octadiene and 1,5-hexadiene in a jacketed stirred batch reactor to assess its performance towards these alkenes. The suitability and efficiency of the catalyst have been compared by studying the effect of reaction temperature, feed mole ratio of alkene to TBHP, catalyst loading, and reaction time on the yield of 1,2-epoxy-5-hexene and 1,2-epoxy-7-octene. Response surface methodology (RSM) using Box–Behnken Design (BBD) has been employed to design experimental runs and study the catalytic performance of the PBI.Mo catalyst for all batch experimental results. A quadratic regression model has been developed representing an empirical relationship between reaction variables and response, which is the yield of epoxides. The numerical optimisation technique concluded that the maximum yield that can be reached is 66.22% for 1,7-octadiene and 64.2% for 1,5-hexadiene. The reactivity of alkenes was observed to follow the sequence 1,5-hexadiene > 1,7-octadiene. The findings of this study confirm that the optimal reaction conditions vary between the two reactions, indicating differences in catalytic performance for each alkene.
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(This article belongs to the Special Issue Feature Papers in Reactions in 2025)
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CASPT2 Study of the Unimolecular Reactions of Nitromethane—A Look at the Roaming Reactions in the Decomposition of Nitromethane: An Exergonic Route at High Temperatures
by
Juan Soto
Reactions 2025, 6(1), 21; https://doi.org/10.3390/reactions6010021 - 12 Mar 2025
Abstract
In this work, we studied the main decomposition reactions on the ground state of nitromethane (CH3NO2) with the CASPT2 approach. The energetics of the main elementary reactions of the title molecule have been analyzed on the basis of Gibbs
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In this work, we studied the main decomposition reactions on the ground state of nitromethane (CH3NO2) with the CASPT2 approach. The energetics of the main elementary reactions of the title molecule have been analyzed on the basis of Gibbs free energies obtained from standard expressions of statistical thermodynamics. In addition, we describe a mapping method (orthogonalized 3D representation) for the potential energy surfaces (PESs) by defining an orthonormal basis consisting of two orthonormal vectors (n, internal degrees of freedom) that allows us to obtain a set of ordered points in the plane (vector subspace) spanned by such a basis. Geometries and harmonic frequencies of all species and orthogonalized 3D representations of the PESs have been computed with the CASPT2 approach. It is found that all of the analyzed kinetically controlled reactions of nitromethane are endergonic. For such a class of reactions, the dissociation of nitromethane into CH3 and NO2 is the process with the lower activation energy barrier (ΔG); that is, the C-N bond cleavage is the most favorable process. In contrast, there exists a dynamically controlled process that evolves through a roaming reaction mechanism and is an exergonic reaction at high temperatures: CH3NO2 → [CH3…NO2]* → [CH3ONO]* → CH3O + NO. The above assertions are supported by CASPT2 mappings of the potential energy surfaces (PESs) and classical trajectories obtained by “on-the fly” CASSCF molecular dynamics calculations.
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(This article belongs to the Special Issue Feature Papers in Reactions in 2025)
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Design and Synthesis of 7-(N-Aryl Pyrrolidinyl) Indoles as Potential DCAF15 Binders
by
Ravi Devarajappa, Scarlett Kiyeleko, Sofiane Hocine, Victor Cosson, Remi Calandrino, Timea Baló, Jayson Alves Bordelo, Sébastien Triboulet, Laure Caruana, Laurence Klipfel, Sandrine Calis, András Herner and Stephen Hanessian
Reactions 2025, 6(1), 20; https://doi.org/10.3390/reactions6010020 - 7 Mar 2025
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We describe the design and synthesis of a series of 7-(N-aryl pyrrolidinyl) indoles and oxo-analogs as isosteric mimics of the DCAF15 binder E7820, a well-known member of aryl sulfonamides known as SPLAMs. The functionalization of C-7 in indoles was achieved by metal-catalyzed CH-activation
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We describe the design and synthesis of a series of 7-(N-aryl pyrrolidinyl) indoles and oxo-analogs as isosteric mimics of the DCAF15 binder E7820, a well-known member of aryl sulfonamides known as SPLAMs. The functionalization of C-7 in indoles was achieved by metal-catalyzed CH-activation with unexpected results. Binding assays revealed the pyrrolidine N-aryl carboxylic acid analog to be as equally active as E7820.
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Open AccessArticle
Silicotungstate- or Phosphotungstate-Catalyzed Glycerol Esterification with Acetic Acid: A Comparison of Zinc and Tin Salts
by
Marcio Jose da Silva, Cesar Macedo Oliveira, Pedro Henrique da Silva Andrade and Neide Paloma Gonçalves Lopes
Reactions 2025, 6(1), 19; https://doi.org/10.3390/reactions6010019 - 7 Mar 2025
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In this work, tin and zinc salts of silicotungstic and phosphotungstic acids were synthesized, characterized, and tested as catalysts for esterification reactions of glycerol with acetic acid (HOAc) to produce glycerol esters such as monoacetyl glycerol (MAG), which are used as additives in
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In this work, tin and zinc salts of silicotungstic and phosphotungstic acids were synthesized, characterized, and tested as catalysts for esterification reactions of glycerol with acetic acid (HOAc) to produce glycerol esters such as monoacetyl glycerol (MAG), which are used as additives in the pharmaceutical and food industries and in the manufacturing of explosives, or, in the case of di- or triacetyl glycerol (DAG and TAG), green bioadditives for diesel or gasoline. The activity of metal-exchanged salts (Zn, Sn) in H3PW12O40 and H4SiW12O40 heteropolyacids was evaluated in esterification reactions at room temperature. Among the catalysts tested, Sn2/3PW12O40 was the most active and selective toward the glycerol esters. The process’s selectivity can be controlled by changes to reaction conditions. The maximum selectivitiesy of DAG and TAG were 60% and 30%, respectively, using a 1:3 molar ratio of glycerol/HOAc and a Sn3/2PW12O40/673 K catalyst load of 0.4 mol%. Under these conditions, a glycerol conversion rate of 95% was observed and selectivity towards DAG and TAG was observed at 60% and 30%, respectively. The results were achieved after an 8 h reaction at a temperature of 333 K. The Sn3/2PW12O40/673 K catalyst demonstrated the highest efficiency, which was attributed to its higher degree of acidity.
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Open AccessArticle
Organic Dye Photodegradation Using Niobium-Alkali Perovskite Photocatalysts: The Effect of the Alkali
by
Mirtha Z. L. L. Ribeiro, Igor F. Gomes, Edher Z. Herrera, Alexandre Mello, Marília O. Guimarães, Patrícia A. Carneiro, Débora C. M. Rodrigues, Wanderlã L. Scopel, Rodrigo G. Amorim and Mauro C. Ribeiro
Reactions 2025, 6(1), 18; https://doi.org/10.3390/reactions6010018 - 4 Mar 2025
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This study combines experimental and density functional theory (DFT) to evaluate the influence of alkaline cation characteristics on the electronic structure and photodegradation efficacy of organic dyes in MNbO3 (M = Na, K) perovskites. The X-ray Photoelectron Spectroscopy (XPS) and X-ray Absorption
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This study combines experimental and density functional theory (DFT) to evaluate the influence of alkaline cation characteristics on the electronic structure and photodegradation efficacy of organic dyes in MNbO3 (M = Na, K) perovskites. The X-ray Photoelectron Spectroscopy (XPS) and X-ray Absorption Near Edge Spectroscopy (XANES) spectra at the Nb edge of the Perovskites were employed to characterize its chemical and structural properties. The DFT calculations were carried out to simulate XANES spectra as well as the structural and electrical properties of KNbO3 and NaNbO3. Our results show that the simulated and experimental XANES spectra are similar, indicating that the computational simulations were able to capture the local structure of the niobate samples. In addition, a photocatalytic experiment was conducted to benchmark the methylene blue consumption efficiency between different niobates. The findings demonstrated that KNbO3 is more efficient than NaNbO3 for methylene blue UV photocatalytic degradation, which is associated with their electronic properties. This arises as a direct result of the variably deformed NbO6 octahedra resulting from the different alkali used. Our findings facilitate the advancement of stable and abundantly available photocatalysts, which may be employed for energy-intensive processes such as the mineralization of organic water pollutants and hydrogen production by water splitting.
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Open AccessCommunication
Palladium-Catalyzed α-Arylation of Esters: Synthesis of the Tetrahydroisoquinoline Ring
by
Georgeta Serban and Faïza Diaba
Reactions 2025, 6(1), 17; https://doi.org/10.3390/reactions6010017 - 1 Mar 2025
Abstract
The palladium-catalyzed cross-coupling reaction used for carbon–carbon bond formation is one of the most commonly applied reactions in modern organic synthesis. In this work, a concise strategy was developed for constructing the tetrahydroisoquinoline core, a key structural motif found in many biologically active
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The palladium-catalyzed cross-coupling reaction used for carbon–carbon bond formation is one of the most commonly applied reactions in modern organic synthesis. In this work, a concise strategy was developed for constructing the tetrahydroisoquinoline core, a key structural motif found in many biologically active compounds. This method involves the palladium-catalyzed intramolecular coupling of aryl iodides with ester enolates generated in the presence of K3PO4 as a base, resulting in the formation of the tetrahydroisoquinoline ring with an exceptionally high yield of 84%.
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(This article belongs to the Special Issue Feature Papers in Reactions in 2025)
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Open AccessArticle
A Fast and Efficient Response Surface Approach for the Optimization of the Gas-Phase Hydrogenation of Carbon Dioxide on Nickel-Based Catalysts
by
Mirosław K. Szukiewicz, Natalia Patulska and Elżbieta Chmiel-Szukiewicz
Reactions 2025, 6(1), 16; https://doi.org/10.3390/reactions6010016 - 15 Feb 2025
Abstract
In this study, the application of the response surface method was used to determine the best reaction conditions of the gas-phase hydrogenation of carbon dioxide on a commercial nickel-based catalyst. The procedural goals included the choice and tests of the robustness of the
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In this study, the application of the response surface method was used to determine the best reaction conditions of the gas-phase hydrogenation of carbon dioxide on a commercial nickel-based catalyst. The procedural goals included the choice and tests of the robustness of the statistical method that could improve the achievement of the goal of the process, first of all by reducing the number of necessary experiments. The outcome goal for the process under consideration was the optimization of reaction conditions for mild reaction conditions and the stoichiometric deficiency of hydrogen; these reaction conditions are rarely presented in the literature (despite their potential advantages). Both goals were achieved with a successful result. To find optimal reaction conditions, only 36 experiments were carried out. This is a very good result, taking into account the insufficient information in the literature, which means that it is a difficult task to deduce the region of the highest carbon dioxide conversion. The maximum carbon dioxide conversion was obtained for a temperature of 318 °C and a ratio of molar fluxes of H2 to CO2 equal to 3.5. It should be emphasized that this result was confirmed experimentally.
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(This article belongs to the Special Issue Feature Papers in Reactions in 2024)
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Open AccessArticle
A Rapid and Green Method for the Preparation of Solketal Carbonate from Glycerol
by
Sanjib Kumar Karmee, Sreedhar Gundekari, Louis C. Muller and Ajinkya Hable
Reactions 2025, 6(1), 15; https://doi.org/10.3390/reactions6010015 - 13 Feb 2025
Abstract
Glycerol is a biogenic waste that is generated in both the biodiesel and oleo-chemical industries. The value addition of surplus glycerol is of utmost importance for making these industries economically profitable. In line with this, glycerol is converted into glycerol carbonate, a potential
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Glycerol is a biogenic waste that is generated in both the biodiesel and oleo-chemical industries. The value addition of surplus glycerol is of utmost importance for making these industries economically profitable. In line with this, glycerol is converted into glycerol carbonate, a potential candidate for the industrial production of polymers and biobased non-isocyanate polyurethanes. In addition, glycerol can also be converted into solketal, which is the protected form of glycerol with a primary hydroxyl functional group. In this contribution, we developed a microwave-assisted solvent and catalyst-free method for converting solketal into solketal carbonate. Under conventional heating conditions, the reaction of solketal with dimethyl carbonate resulted in 70% solketal carbonate in 48 h. However, under microwave heating, 90% solketal carbonate was obtained in just 30 min. From the perspective of sustainability and green chemistry, biomass-derived heterogeneous catalysts are gaining importance. Therefore, in this project, several green catalysts, such as molecular sieves (MS, 4Å), Hβ-Zeolite, Montmorillonite K-10 clay, activated carbon from groundnut shell (Arachis hypogaea), biochar prepared from the pyrolysis of sawdust, and silica gel, were successfully used for the carbonyl transfer reaction. The obtained solketal carbonate was thoroughly characterized by 1H NMR, 13C NMR, IR, and MS. The method presented here is facile, clean, and environmentally benign, as it eliminates the use of complicated procedures, toxic solvents, and toxic catalysts.
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(This article belongs to the Special Issue Waste Biorefinery Technologies for Accelerating Sustainable Energy Processes)
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Open AccessArticle
Eco-Friendly Synthesis of Cerium Oxide Nanoparticles from Lycium cooperi
by
Jhonathan Castillo-Saenz, Jorge Salomón-Carlos, Ernesto Beltrán-Partida and Benjamín Valdez-Salas
Reactions 2025, 6(1), 14; https://doi.org/10.3390/reactions6010014 - 11 Feb 2025
Abstract
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Cerium oxide nanoparticles (CeO2-NPs) offer promising advantages in semiconductors and biomedical applications due to their optical, electrical, antioxidant, and antibacterial properties. However, the widely reported synthetic strategies for CeO2-NPs demand toxic precursors and intermediary pollutants, representing a major limitation
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Cerium oxide nanoparticles (CeO2-NPs) offer promising advantages in semiconductors and biomedical applications due to their optical, electrical, antioxidant, and antibacterial properties. However, the widely reported synthetic strategies for CeO2-NPs demand toxic precursors and intermediary pollutants, representing a major limitation to CeO2-NPs applications. Therefore, it is necessary to develop greener strategies that implicate ecological precursors to reduce the negative impact on the scalability of CeO2-NPs. In this regard, we applied Lycium cooperi (L. cooperi) aqueous extracts as an unexplored potential green reducing agent for the eco-friendly synthesis of CeO2-NPs. The L. cooperi extract showed the presence of alkaloids, flavonoids, cardiac glycosides, and carbohydrate-derived families, which were assessed for spherical monodispersed CeO2-NPs under a rapid chemical reduction. Moreover, the elemental composition revealed Ce and O, indicating highly pure CeO2-NPs characterized by an interplanar cubic crystalline structure. Furthermore, we detected the presence of stabilizing functional groups from L. cooperi, which, after a controlled annealing process, resulted in a band gap energy of 3.9 eV, which was optimal for the CeO2-NPs. Thus, the results indicate that L. cooperi is an environmentally friendly synthesis method that can open a new route for CeO2-NPs in biomedical and industrial applications.
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Open AccessArticle
Oxides for Pt Capture in the Ammonia Oxidation Process—A Screening Study
by
Julie Hessevik, Cathinka S. Carlsen, Oskar K. Bestul, David Waller, Helmer Fjellvåg and Anja O. Sjåstad
Reactions 2025, 6(1), 13; https://doi.org/10.3390/reactions6010013 - 11 Feb 2025
Cited by 1
Abstract
Metallic Pd/Ni gauzes, located downstream of the Pt/Rh ammonia oxidation catalyst nets in the Ostwald process, is the current technology for capturing volatile gas phase platinum and rhodium species lost from the Pt/Rh combustion catalyst through evaporation. In this screening study, we explore
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Metallic Pd/Ni gauzes, located downstream of the Pt/Rh ammonia oxidation catalyst nets in the Ostwald process, is the current technology for capturing volatile gas phase platinum and rhodium species lost from the Pt/Rh combustion catalyst through evaporation. In this screening study, we explore four oxide families, ABO3 perovskites, (ABO3)n(AO) Ruddlesden–Popper (RP) phases, AO rock salt, and A2O3 sesquioxide type oxides, as alternative materials for platinum capture. It was found that all the tested nickelates, LaNiO3, NdNiO3, La2NiO4, and La4Ni3O10, captured platinum well and formed A2NiPtO6. In contrast, La0.85Sr0.15FeO3, LaFeO3, and LaCoO3 did not capture platinum. CaO, SrO, and Nd2O3 formed low-dimensional platinates such as CaxPt3O4, Sr4PtO6, and a newly discovered neodymium platinate, Nd10.67Pt4O24. Gd2O3 did not capture platinum in bench-scale experiments in dry air, but did, however, seem to capture platinum under pilot plant conditions, likely due to the co-capture of Co lost from the N2O abatement catalyst. The catalytic activity of both oxides and platinum-containing products were studied, toward NOx and N2O decomposition. None of the oxides showed significant activity toward NOx decomposition, and all showed activity toward N2O decomposition, but to different extents. An overall assessment of the screened oxides with respect to potential use in industrial Ostwald conditions is provided. All tested oxides except CaO and SrO withstood industrial conditions. From our assessments, the nickelates and A2O3 (A = Nd, Gd) stand out as superior oxides for platinum capture.
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(This article belongs to the Special Issue Feature Papers in Reactions in 2024)
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