Reaction Chemistry & Engineering最新文献

{"title":"High-performance ZnZrOx-supported CuNi catalysts for CO2 hydrogenation to methanol","authors":"Zhisheng Shi, Chaofan Liu, Yilong Wu, Nannan Ge, Xueling Wei, Linhua Chu, Xingyang Li and Mei Xiang","doi":"10.1039/D5RE00278H","DOIUrl":"https://doi.org/10.1039/D5RE00278H","url":null,"abstract":"<p >ZnZrO<small>_<em>x</em></small> solid solutions have been extensively reported for methanol production from the hydrogenation of carbon dioxide (CO<small>₂</small>) on account of their high selectivity, prominent stability and sulfur tolerance. Herein, a series of ZnZrO<small>_<em>x</em></small> supported-CuNi catalysts were fabricated using a liquid-phase reduction-deposition method and then utilized for CO<small>₂</small> hydrogenation. The impact of the Cu : Ni molar ratio on the physicochemical properties of the catalysts and their CO<small>₂</small> hydrogenation performance was systemically studied and discussed. The synchronous introduction of Cu and Ni into ZnZrO<small>_<em>x</em></small> not only improved the BET-specific surface areas and the reducibility of the metallic species but also markedly increased the concentration of surface oxygen vacancies and the amount of CO<small>₂</small> desorbed, thereby leading to excellent reactivity. Moreover, the CH<small>₃</small>OH space-time yield (STY) was positively correlated to the concentration of surface oxygen vacancies and the amount of desorbed CO<small>₂</small>. Because of the outstanding reducibility, high metal dispersion, superior CO<small>₂</small> adsorption ability, sufficient surface oxygen vacancies, and the proper interaction between the metals and support, Cu<small>₂</small>Ni<small>₁</small>/ZnZrO<small>_<em>x</em></small> achieved a CH<small>₃</small>OH selectivity close to 82% with a CO<small>₂</small> conversion greater than 10% at 3.0 MPa, 15 000 mL g<small>_cat</small><small>⁻¹</small> h<small>⁻¹</small> and 280 °C.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 293-305"},"PeriodicalIF":3.1,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904366","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":"Designing biomimetic hydrogels for neuro-therapeutic delivery devices for brain soft tissue injury: integrating antioxidant, cell viability and tissue adhesion properties to enhance neural regeneration via a synergistic approach","authors":"Nistha Thakur, Vikrant Sharma and Baljit Singh","doi":"10.1039/D5RE00316D","DOIUrl":"https://doi.org/10.1039/D5RE00316D","url":null,"abstract":"<p >Recent progress in brain research reflects an exciting interface of technology and biology, leading to the development of effective therapeutic compounds and site specific delivery systems to address complex neurological disorders. These innovative therapies also serve as novel diagnostic and therapeutic platforms for drug delivery (DD) to the brain and soft tissue in the context of brain injury, aiming to enhance drug penetration and targeting while improving efficacy and minimizing systemic toxicity. Hence, the innovative approach of this project lies in the development of a network structure in the form of hydrogels derived from bioactive sulphated polysaccharide &amp; zwitterionic polymers by the copolymerization technique for the delivery of the neuroprotective &amp; neurorestorative (citicoline) compound at the site of nerve injury. The biocompatibility, protein adsorption, antioxidant, mucoadhesion, drug delivery and cell-viability of rhabdomyosarcoma cell properties of hydrogels were analyzed. Hydrogels expressed 165 ± 0.19% cell viability of RD cells and promoted cell adhesion and proliferation, signifying their compatibility with mammalian cells. DPPH assay revealed 39.82 ± 1.65% free radical scavenging ability of the materials, highlighting their strong intrinsic antioxidant potential for neutralizing oxidative stress at the site of nerve injury. The mucoadhesion of the materials was signified from a force of 75 ± 4.00 mN, desirable for adherence to mucosal surfaces and helps in cell attachment and alignment during the nerve regeneration process. The citicoline anchored brain drug delivery carrier released the drug in simulated brain fluid in a sustained pattern and followed the non-Fickian diffusion mechanism. The release profile was best explained by the Hixson–Crowell kinetic model. The materials were also characterized by FESEM, EDAX, AFM, FTIR, <small>¹³</small>C-NMR &amp; XRD techniques. Overall, the presented synergistic therapy for treatment of brain injury involved the delivery of the bioactive nerve regenerating agent from functional materials. It will not only deliver therapeutic molecules to nerve injuries but its inherent antioxidant, haemostatic &amp; non-cytotoxic nature with cell viability properties may also contribute to enhancing the nerve repair process of brain injury.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 196-218"},"PeriodicalIF":3.1,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904376","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":"Praseodymium-based mixed metal oxides as stable and CO-resistant electrocatalysts for methanol oxidation in acidic media","authors":"Pooja and Ravinder Pawar","doi":"10.1039/D5RE00313J","DOIUrl":"https://doi.org/10.1039/D5RE00313J","url":null,"abstract":"<p >In this study, we report for the first time the electrocatalytic performance of Pr-based metal oxides, PrCuO (PCO), PrNiO (PNO), and PrZnO (PZO), toward methanol electro-oxidation. Results show that PCO exhibits superior activity with a low onset potential of 0.96 V <em>vs.</em> RHE and strong resistance to CO poisoning. Electrochemical impedance spectroscopy (EIS) reveals a low charge transfer resistance (<em>R</em><small>_ct</small>), indicating fast electron transfer kinetics. Mass activity of PCO reaches 0.75 A mg<small>⁻¹</small>, surpassing the various Pt-based catalysts such as Pt<small>₆₂</small>Ru<small>₃₅</small>/C (0.47 A mg<small>⁻¹</small>), Pt<small>₆₂</small>Ru<small>₁₈</small>Ni<small>₂₀</small>–O/C (0.30 A mg<small>⁻¹</small>), and PtZn NPs (0.58 A mg<small>⁻¹</small>). Density functional theory (DFT) calculations indicate that PCO facilitates methanol oxidation <em>via</em> a COH* intermediate, enhancing CO oxidation and CO<small>₂</small> evolution. The favorable d-band center and strong Cu 3d–O 2p orbital interaction contribute to its high activity. These findings establish PCO as a promising and durable electrocatalyst for energy conversion applications.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 49-63"},"PeriodicalIF":3.1,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/re/d5re00313j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904369","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":"Rapid characterization of flow regimes in micro-packed bed reactors utilizing the convolutional neural network","authors":"Bingqi Xie, Yi Chen, Wangyang Ma, Yufeng Gao, Zihan Li, Jiacheng Zhou, Xueqing Ma, Wei Liu and Jisong Zhang","doi":"10.1039/D5RE00293A","DOIUrl":"https://doi.org/10.1039/D5RE00293A","url":null,"abstract":"<p >Micro-packed bed reactors (μPBRs), which are widely used in multiphase reactions, have the advantages of high mass transfer efficiency and excellent safety. However, the identification of flow behavior in μPBRs with various packings remains a challenge. Rapid characterization of flow regimes needs to be taken into consideration for improving reactor research efficiency. In this work, a transfer learning conventional neural network (CNN) based on LeNet-5 was developed to recognize the flow regime of μPBRs for the first time. Micropillars and spherical particles as typical packings were employed to inspect the applicability of the model successively. The flow regimes of μPBRs with micropillar structure and spherical particles were classified using a trained transfer learning model based on LeNet-5, obtaining high accuracies of 97.5% and 94.3%, respectively. Notably, a highly integrated software platform coupling the trained CNN for analyzing flow regime with a user-friendly graphical interface was constructed, achieving online acquisition and analysis of data efficiently.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 269-279"},"PeriodicalIF":3.1,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904363","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":"Recent development and challenges in TMD-based 2D materials towards OER/ORR electrocatalysis","authors":"Kashif Nawaz Khattak, Yueyue Shao and Jia Zhou","doi":"10.1039/D5RE00328H","DOIUrl":"https://doi.org/10.1039/D5RE00328H","url":null,"abstract":"<p >The search for efficient electrocatalysts to drive the oxygen evolution reaction (OER)/oxygen reduction reaction (ORR) has reached a pivotal juncture with the emergence of transition metal dichalcogenides (TMDs), particularly WS<small>₂</small>, WTe<small>₂</small> and MoTe<small>₂</small>. These materials, with their unique electronic structures, tunable surface properties, and exceptional stability, have opened new frontiers in electrocatalysis. This review provides a comprehensive exploration of the synergistic interplay between experimental validation and computational modeling in unraveling the electrocatalytic potential of these TMD materials. Advanced experimental techniques, such as <em>in situ</em> spectroscopy and electrochemical microscopy, have unveiled the dynamic structural transformations and active site engineering under operational conditions. Currently, state of the art computational approaches, including density functional theory (DFT) and machine learning (ML)-guided descriptor analysis, have enabled the rational design of TMD-based catalysts by predicting reaction pathways, overpotentials, and selectivity. This review presents a novel integrated approach combining experimental techniques and computational modeling to explore the electrocatalytic potential of TMDs for the OER and ORR. By focusing on defect engineering, heterostructures, and phase transitions, this work provides a comprehensive roadmap for the development of next-generation electrocatalysts for sustainable energy application.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 11-41"},"PeriodicalIF":3.1,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904348","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 reductive amination of cyclohexanone using Pd/C catalyst with high productivity","authors":"Hongbo Yu, Weixing Ming, Wei Wei, Yanan Zhao, Xin Dong, Xianguo Wu, Gaowu Qin and Dongmao Yan","doi":"10.1039/D5RE00250H","DOIUrl":"https://doi.org/10.1039/D5RE00250H","url":null,"abstract":"<p >Amines represent crucial intermediates in fine chemical synthesis, finding extensive applications across pesticide, dye, and pharmaceutical industries. <em>N</em>,<em>N</em>-Dimethyl tertiary amines can be efficiently synthesized through reductive amination of dimethylamine. We developed an environmentally benign continuous flow reductive amination system employing a micro-packed bed reactor (μ-PBR) with a Pd/C catalyst prepared <em>via</em> direct impregnation. This system successfully produces <em>N</em>,<em>N</em>-dimethylcyclohexylamine (DMCHA) in an aqueous system, achieving high selectivity (99.5%), impressive space–time yields (2.7 × 10<small>⁴</small> g L<small>⁻¹</small> h<small>⁻¹</small>), and operates without requiring additional additives. In addition, the reaction system demonstrated excellent stability during a 120-hour continuous test and proved suitable for both aromatic aldehydes and aromatic amines.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 188-195"},"PeriodicalIF":3.1,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904375","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":"One-step conversion of hemicellulosic pentoses into furfural via iron(iii) sulfate-catalyzed distillation","authors":"Nor Mas Mira Abd Rahman, Fabrizio Olivito, Thivya Selvam, Wan Abd Al Qadr Imad Wan-Mohtar, Goldie Oza and Monica Nardi","doi":"10.1039/D5RE00371G","DOIUrl":"https://doi.org/10.1039/D5RE00371G","url":null,"abstract":"<p >In this study, we introduce a straightforward and effective strategy for synthesizing furfural directly from <small>D</small>-xylose and <small>L</small>-arabinose by employing hydrated iron(<small>III</small>) sulfate [Fe<small>₂</small>(SO<small>₄</small>)<small>₃</small>·<em>x</em>H<small>₂</small>O], under distillation at atmospheric pressure. The transformation proceeds without any organic solvent, using only pentose sugars derived from hemicellulose and 30 mol% of the catalytic agent. The process is optimized at a temperature of 170 °C. Under these conditions, after 90 minutes, <small>D</small>-xylose yields up to 92% furfural with 94% selectivity, while <small>L</small>-arabinose provides 85% yield with a selectivity of 90%. Water is the major by-product.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 12","pages":" 2800-2807"},"PeriodicalIF":3.1,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/re/d5re00371g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145537675","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":"Oxygen coordination engineering in Fe–N–O–graphene single-atom catalysts for enhanced bifunctional oxygen electrocatalysis","authors":"Linlin Zhang, Yanning Wang and Kai Xiong","doi":"10.1039/D5RE00292C","DOIUrl":"https://doi.org/10.1039/D5RE00292C","url":null,"abstract":"<p >Developing efficient, durable, and low-cost bifunctional electrocatalysts is essential for renewable energy conversion. In this study, density functional theory (DFT) calculations are employed to systematically investigate Fe–N–O coordination structures anchored on graphene (Fe–N–O–gra), aiming to elucidate the structure–electronic–activity relationship in Fe-based single-atom catalysts. Among seven representative configurations, FeN<small>₃</small>O exhibits the highest structural stability, optimal orbital hybridization, and the largest charge transfer, thereby effectively facilitating O<small>₂</small> activation. FeN<small>₃</small>O exhibits a longer Fe–O bond and weaker electronic coupling during *OH adsorption, which moderates intermediate binding in a step-specific way—facilitating *OH desorption in the ORR and stabilizing *OOH formation in the OER. This balance leads to exceptionally low overpotentials of 0.41 V for the ORR and 0.55 V for the OER, outperforming other configurations. Furthermore, a volcano plot constructed based on adsorption energy scaling relations identifies the *OH adsorption free energy as an effective descriptor of bifunctional catalytic activity, with FeN<small>₃</small>O located near the apex of the plot. These findings highlight the critical role of oxygen coordination in tuning the electronic structure and catalytic performance of Fe single-atom catalysts and provide theoretical guidance for the rational design of next-generation non-precious metal electrocatalysts.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 219-227"},"PeriodicalIF":3.1,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904377","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":"Highly efficient sulfonated styrene resins and optimization for the ethanolysis of furfuryl alcohol to ethyl levulinate","authors":"Yanhong Quan, Yesu Zhang and Jun Ren","doi":"10.1039/D5RE00296F","DOIUrl":"https://doi.org/10.1039/D5RE00296F","url":null,"abstract":"<p >Different types of sulfonated styrene resins (SSRs) were applied to the ethanolysis of furfuryl alcohol (FA) to ethyl levulinate (EL). The catalytic performance results showed that the SSR-2 catalyst prepared through sulfonation at 60 °C for 5 h demonstrated the best activity with 100% FA conversion and 97% EL selectivity under the reaction conditions of 126 °C, 2.2 h, and 0.12 g catalyst dosage, which was dramatically superior to the previous results. Notably, the SSR-2 catalyst maintained excellent stability over five cycles, which was attributed to the synergistic effect of the stable, three-dimensional crosslinked network structure of the styrene-based resins and the appropriate SO<small>₃</small>H groups, effectively alleviating the leaching problem of the active groups. Innovatively, Response Surface Methodology (RSM) was used to optimize the reaction conditions of FA ethanolysis over the SSR-2 catalyst and the catalyst dosage was identified as the most crucial factor for the production of EL, focusing on the effects of reaction temperature, reaction time and catalyst dosage on EL selectivity. Moreover, the predicted EL selectivity of 97.4% obtained from RSM matched well with the experimental value of 97% under the optimal reaction conditions, paving the way for catalyst engineering in EL production from FA ethanolysis.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 136-147"},"PeriodicalIF":3.1,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904351","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":"Intermolecular photo-redox reaction between nitroarenes and phenylmethylamines under continuous photo-flow conditions","authors":"Mounika Kukudala, Sanjeev Kumar, Ruchi Chauhan, Mandeep Purwa, Abhilash Rana and Ajay K. Singh","doi":"10.1039/D5RE00131E","DOIUrl":"https://doi.org/10.1039/D5RE00131E","url":null,"abstract":"<p >Intermolecular photo-redox reactions can promote a wide range of chemical transformations. It is challenging to predict the photo-induced redox reaction for the intermolecular transfer of hydrogen and oxygen atoms. Herein, we have reported a strategy for transferring the intermolecular redox activity between nitroarenes and phenylmethylamines to make aromatic amines, aldehydes, and imines. The approach successfully synthesizes useful drug intermediates as well as final drug compounds, showcasing its efficiency and versatility. This protocol highlights significant practical utility in advanced organic synthesis.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 1","pages":" 117-122"},"PeriodicalIF":3.1,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145904349","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}