Reaction Chemistry & Engineering最新文献

{"title":"Mechanism insights on the Lewis acidity regulations of a supported Ru catalyst for the selective hydrogenation of bisphenol A","authors":"Yongjun Wang, Cheng Han, Minglin Xiang, Tao Liu, Xiaoshan Zhang, Bing Wang and Yingde Wang","doi":"10.1039/D5RE00394F","DOIUrl":"https://doi.org/10.1039/D5RE00394F","url":null,"abstract":"<p >Hydrogenated bisphenol A is a high-performance, long-term color-stable, safe and environmentally friendly monomer material for epoxy resins. This research demonstrates the in-depth investigation of the reaction mechanism for the hydrogenation of bisphenol A over a highly dispersed ultra-small ruthenium nanoparticle catalyst in a continuous fixed-bed hydrogenation reactor. Findings reveal that the acidic support promotes the adsorption of aromatic functional groups, ultimately enhancing the hydrogenation activity in coordination with the highly dispersed ultra-small ruthenium nanoparticle catalyst. Interestingly, the acidity regulation of the catalyst support by MgO modification not only favors the formation of highly dispersed ultra-small Ru nanoparticles but also inhibits the side reactions of C–OH and C–C cleavage, finally leading to an improved selectivity for the target product. Furthermore, an ingeniously controllable three-stage hydrogenation reaction is designed, which provides valuable insights into the reaction mechanism.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 2","pages":" 429-441"},"PeriodicalIF":3.1,"publicationDate":"2025-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Kinetic modeling of multi-step transformations using sequential dynamic flow experiments","authors":"Klara Silber, Florian L. Wagner, Christopher A. Hone and C. Oliver Kappe","doi":"10.1039/D5RE00306G","DOIUrl":"https://doi.org/10.1039/D5RE00306G","url":null,"abstract":"<p >In this paper, we present the development of a kinetic model for multi-step transformations, comprising of a Paal–Knorr pyrrole reaction followed by a nucleophilic aromatic substitution within a continuous-flow process, utilizing data obtained from sequential dynamic flow experiments. The reaction networks were fitted to achieve successful parameter estimation (7 parameters in total) with a <em>R</em><small>²</small> of 0.974 for the desired Paal–Knorr product and a <em>R</em><small>²</small> of 0.998 for the nucleophilic aromatic substitution product. Model validation based on dynamic flow experiments was extended beyond the previously explored experimental space. <em>In silico</em> simulation involving a threefold higher concentration of the nucleophile than previously studied resulted in approximately 7% model predicted difference to the experimental results.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 2","pages":" 442-448"},"PeriodicalIF":3.1,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/re/d5re00306g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Revitalised Hofmann carbylamine synthesis made possible with flow chemistry","authors":"Zen Johnston, Jaimee Jugmohan, Jenny-Lee Panayides and Darren Lyall Riley","doi":"10.1039/D5RE00338E","DOIUrl":"https://doi.org/10.1039/D5RE00338E","url":null,"abstract":"<p >Isocyanides are of relevance to several scientific fields; however, over the last 150 years only a limited number of synthetic strategies have been reported for preparing them. In a newly developed flow approach, a neglected method for preparing isocyanides, the Hofmann carbylamine reaction, has been revisited and revitalised. The approach developed afforded the preparation of a diverse library of isocyanides in good conversions while only requiring a 15 min residence time at 70 °C. In addition, the method is operationally easy to apply, and it affords several advantages over the more commonly employed strategy of preparing isocyanides which involves the conversion of amines to formamides followed by dehydration to an isocyanide.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 42-48"},"PeriodicalIF":3.1,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/re/d5re00338e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical mechanism prediction unravels multiple macromolecular outcomes from free-radical reactions","authors":"Shahriar Hojjati Emami","doi":"10.1039/D4RE00559G","DOIUrl":"https://doi.org/10.1039/D4RE00559G","url":null,"abstract":"<p >Molecular-level reactions predominantly dictate all macro-level properties in the materials world. Understanding nano-level molecular reactions opens up the door to grasping how bottom-up building blocks lead to novel molecules and thus materials. Here, free radicals from the thermal decomposition of peroxide molecules were pursued to explore different plausible reactions with polyethylene oxide as a macromolecular polymer model. Many chemical compounds with different functional groups, such as acetals or hemiacetals, alkoxy ethers, geminal diols, aldehydes, ketenes and orthoesters, were detected. An important observation was chain scission due to tertiary radical formation that created oligomers with carboxylic end groups, a plausible sign of the deterioration of the final product's mechanical properties. Additionally, theoretical prediction enhanced our understanding of intermediate outcomes and revealed hydrogels with the potential to degrade in dilute acids due to vulnerable acetal, hemiacetal or orthoester functional groups, with profound effects on the macroscopic-level properties.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 2","pages":" 327-333"},"PeriodicalIF":3.1,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fast metal-free CO2-mediated N-aryl amide synthesis from nitroarenes under continuous flow conditions","authors":"Bruno González Iañes Geraldo, Rodrigo Costa e Silva and Julio Cezar Pastre","doi":"10.1039/D5RE00446B","DOIUrl":"https://doi.org/10.1039/D5RE00446B","url":null,"abstract":"<p >Improving access to functionalized <em>N</em>-aryl amides efficiently remains a key challenge in organic synthesis, particularly when starting from nitroaromatic compounds. Direct amidation of nitroarenes has emerged as an attractive alternative to multistep synthetic sequences; however, existing methods often require long reaction times, transition metals, and harsh and inert conditions, and exhibit limited functional group tolerance. Herein, we describe a fast, metal-free, and scalable flow protocol for the synthesis of functionalized <em>N</em>-aryl amides directly from nitroarenes. This protocol integrates an electrochemical reduction of nitroarene with a CO<small>₂</small>-mediated amidation of carboxylic acids, enabling the synthesis of twenty amides in yields of up to 89% while containing valuable yet reducible functional groups, in a semi-telescoped fashion.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 2","pages":" 486-492"},"PeriodicalIF":3.1,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Continuous flow photooxygenation with advanced rose bengal-anchored polymer colloids","authors":"Axelle Desriac, Guillaume Mageste, Mickael Le Bechec, M. Ali Aboudzadeh, Thierry Pigot, Maud Save, Jean-François Blanco, Patrice Bacchin and Karine Loubière","doi":"10.1039/D5RE00406C","DOIUrl":"https://doi.org/10.1039/D5RE00406C","url":null,"abstract":"<p >The development of sustainable photooxygenation processes is a key challenge in green chemical engineering, particularly for the efficient transformation of bio-based molecules under mild and environmentally friendly conditions. However, the implementation of efficient photosensitizers remains limited, with recyclability and process compatibility often being the major bottlenecks. This study addresses the engineering challenge of implementing advanced polymer colloids functionalized with rose bengal (RB) as robust heterogeneous photosensitizers that deliver both high photoreactivity and operational stability. We present an original continuous-flow approach using an LED-driven spiral-shaped millireactor and core–shell RB-functionalized colloids that are synthesized directly in a green solvent used for the selective photooxygenation of α-terpinene to ascaridole. Photoactive colloids were used under visible light irradiation and transported by the Taylor (slurry) flows using air as a sustainable reactant. The reactor configuration enabled fine control over irradiation conditions, residence time, and gas–liquid mass transfer, which were essential for consistent and efficient photoreactivity. Strikingly, the colloids retained their photooxygenation efficiency across different particle sizes and compositions, an unusual feature that underscores their robustness and sets them apart from most reported heterogeneous systems. Equally remarkable, their reactivity matched that of soluble RB, demonstrating that embedding the dye in a colloidal microenvironment does not compromise photochemical efficiency. As a result, all the tested colloidal systems showed very good performance and could be reused over multiple reaction cycles. To support process development and scale-up, a model was established to predict reaction rates as a function of operating parameters, providing valuable insights into the interplay between bubbly flow dynamics, light absorption, and photochemical kinetics. This work demonstrates a promising route for the implementation of recyclable heterogeneous photosensitizers in scalable continuous-flow photooxidation processes according to the principles of green chemical engineering.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 2","pages":" 392-404"},"PeriodicalIF":3.1,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Methanol steam reforming using In2O3/ZrO2 coated catalytic static mixers (CSMs)","authors":"Stephan Kiermaier, Phillip Nathrath, Christopher D. Easton, Mark Greaves, Thomas M. Kohl, Robert Stöber, Christian H. Hornung and Patrick Schühle","doi":"10.1039/D5RE00391A","DOIUrl":"https://doi.org/10.1039/D5RE00391A","url":null,"abstract":"<p >Methanol is an attractive chemical hydrogen carrier that can provide hydrogen on demand by catalytic steam reforming – an endothermic reaction which requires efficient heat supply to the catalyst. The catalytic static mixer (CSM) technology offers an efficient way to provide sufficient heat and reactant supply to the catalytic center by high thermal conductivity and short diffusion pathways. In this study, an In<small>₂</small>O<small>₃</small>/ZrO<small>₂</small> catalyst was deposited on highly conductive 3D printed stainless steel scaffolds, reaching uniform and durable coatings. These CSMs were investigated for the methanol steam reforming reaction in a single tube reactor at 330 °C and 350 °C. Their performance was compared to a conventional fixed bed configuration with In<small>₂</small>O<small>₃</small>/ZrO<small>₂</small> pellet catalysts. The highest overall conversion for the methanol steam reforming, yielding 93%, was achieved using the CSM system at 330 °C, a low feed flow rate of 0.4 mL min<small>⁻¹</small> and a water : MeOH ratio of 1 : 1. The highest CO<small>₂</small> selectivity of 98% was achieved using the CSM system at 330 °C, a high feed flow rate of 2.0 mL min<small>⁻¹</small> and a water : MeOH ratio of 1 : 2. For most experiments, the CSM results were slightly improved from the corresponding pellet results. Although this effect is believed to be small at the relatively small pipe diameter used herein, it is an indication of the expected superior heat transfer and fluid flow performance of the CSM system over pellets inside of a catalytic reactor.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 3","pages":" 625-635"},"PeriodicalIF":3.1,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/re/d5re00391a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147335686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A technology for whole-component utilization of refractory ferromanganese ores: hydrogen-based mineral phase transformation","authors":"Jiali Chen, Peng Gao, Jie Liu, Yimin Zhu and Wentao Zhou","doi":"10.1039/D5RE00418G","DOIUrl":"https://doi.org/10.1039/D5RE00418G","url":null,"abstract":"<p >To address the low utilization rate of refractory ferromanganese ores, this study proposes an innovative technology, namely the pre-enrichment-hydrogen-based mineral phase transformation–magnetic separation, to realize the separation and enrichment of manganese and iron from the ores. The suitable process parameters were determined as follows: a pre-enrichment magnetic field strength of 6500 Oe, a processing capacity of 80 kg h<small>⁻¹</small>, a CO dosage of 7.5 m<small>³</small> h<small>⁻¹</small>, a H<small>₂</small> dosage of 3.8 m<small>³</small> h<small>⁻¹</small>, a N<small>₂</small> dosage of 13.8 m<small>³</small> h<small>⁻¹</small>, a roasting temperature of 500 °C, a total gas volume of 25.1 m<small>³</small> h<small>⁻¹</small>, an excess coefficient of the reductant of 1.4, and a magnetic field strength of 1520 Oe. Through the stabilization test, iron concentrate with a TFe grade over 67% and iron recovery over 87% and manganese concentrate with manganese grade over 48% and manganese recovery rate over 77% can be obtained. Product analysis reveals that pre-enrichment technology achieved the removal of silicon containing gangue minerals, and the iron-containing minerals (mainly hematite) and manganese-containing minerals (pyrolusite, braunite, psilomelane, and manganite) are selectively converted to magnetite and manganosite, respectively, through mineral phase transformation. The magnetite and manganosite are then cleanly and efficiently separated and enriched in the magnetic concentrate and tailings, respectively, by weak magnetic separation.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 2","pages":" 367-380"},"PeriodicalIF":3.1,"publicationDate":"2025-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unraveling the molecular magic: AI explains the formation of the most stretchable hydrogel","authors":"Shahriar Hojjati Emami, Ali Pilehvar Meibody, Lobat Tayebi, Mohammadamin Tavakoli and Pierre Baldi","doi":"10.1039/D5RE00389J","DOIUrl":"https://doi.org/10.1039/D5RE00389J","url":null,"abstract":"<p >We synthesize a novel hydrogel with exceptional stretchability, capable of extending up to 260 times its original length. Its synthesis is guided by systematic optimization of key components: ammonium persulfate (APS), methylenebisacrylamide, dimethylacrylamide, and polyethylene oxide (PEO). We hypothesize that this extreme stretchability arises from a unique architecture—termed span networks—in which the primary dimethylacrylamide-based polymer network is cross-linked by methylenebisacrylamide and connected by linear PEO chains capable of undergoing random chain scission. Given the intractability of exhaustively analyzing all possible reaction pathways, we employ an AI-based reaction prediction system to investigate the underlying chemistry. This approach reveals a novel network formation mechanism involving PEO chains that link polymer networks through scission–prone interactions. These predicted mechanisms, including chain scission events between PEO and carboxyl groups, are experimentally validated using Fourier-transform infrared (FTIR) spectroscopy.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 2","pages":" 346-358"},"PeriodicalIF":3.1,"publicationDate":"2025-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of metal ion promoters in carbon nanotubes functionalization by polydopamine in the perspective of electroplated copper–carbon composites","authors":"Elisa Silva, Jérôme Guillot, Patrick Grysan, Damien Lenoble, Emanuele Barborini and Didier Arl","doi":"10.1039/D5RE00209E","DOIUrl":"https://doi.org/10.1039/D5RE00209E","url":null,"abstract":"<p >The present study investigates the sinergetic role of pH and metal ions promoters (Cu<small>²⁺</small> and Ni<small>²⁺</small>) in the tailoring of polydopamine (PDA) functionalization of carbon nanotubes (CNTs) with the ultimate goal of integration and control of copper matrix composites. We hereby demonstrate that mildly alkaline conditions combined with the presence of redox-active metal ions significantly enhance the yield of PDA coating on CNTs surface, by promoting dopamine polymerization <em>via</em> metal-assisted autoxidation and chelation mechanisms. The use of a catecholamine (PDA) coating and incorporation of metal promoters like copper and nickel enabled stability of the spraying solution. The effects of the CNTs surface modifications on the polymerization yield and electrical properties were evaluated. Although PDA reduces the functionalized CNTs conductivity due to its insulating nature, its role as a versatile interfacial layer is amplified in the presence of metal ions, which facilitate denser and more homogeneous polymer deposition. These findings reveal how surface modification enhances copper–carbon interfaces in CNT-based metal matrix composites, improving composite design and performance for lightweight applications requiring high current resistance, such as lightning strike protection in aircraft.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 2","pages":" 334-345"},"PeriodicalIF":3.1,"publicationDate":"2025-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/re/d5re00209e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}