Chem Catalysis最新文献_第3页

Computational modeling of a high-entropy alloy for enhanced ammonia synthesis 一种用于强化氨合成的高熵合金的计算模型

IF 9.4

Chem Catalysis Pub Date : 2025-06-19 DOI: 10.1016/j.checat.2025.101426

Julia H. Baratta, Andrew S. Rosen

引用次数: 0

Increasing the value of sustainable chemical manufacturing with paired electrochemical systems 通过配对电化学系统增加可持续化学制造的价值

IF 9.4

Chem Catalysis Pub Date : 2025-06-19 DOI: 10.1016/j.checat.2025.101435

Rileigh DiDomenico

引用次数: 0

Cobaltosilicate zeolite with isolated tetrahedral cobalt sites for efficient propane dehydrogenation

IF 9.4

Chem Catalysis Pub Date : 2025-06-19 DOI: 10.1016/j.checat.2025.101397

Yunpeng Long, Yifan Li, Junhua Li, Yue Peng

引用次数: 0

Decoupling electron transfer and N2 activation in sodium-mediated cascade for ammonia synthesis

IF 9.4

Chem Catalysis Pub Date : 2025-06-19 DOI: 10.1016/j.checat.2025.101425

Zuxin Wen, Yixin Chen, Xianbiao Fu

引用次数: 0

Strategies for oxygen vacancy formation in CeO2-based materials for thermal catalysis 热催化氧化铈基材料中氧空位形成策略

IF 9.4

Chem Catalysis Pub Date : 2025-06-17 DOI: 10.1016/j.checat.2025.101423

Sinmyung Yoon, Jihun Kim, Kwangjin An

引用次数: 0

Effect of dilute Rh on oxygen dissociation, spillover, and the oxidation of Cu across many orders of magnitude pressure 在多个数量级压力下，稀Rh对氧解离、溢出和Cu氧化的影响

IF 9.4

Chem Catalysis Pub Date : 2025-06-13 DOI: 10.1016/j.checat.2025.101421

Volkan Çınar, Eva Peurrung, Jaeha Lee, Audrey Dannar, Dezhou Guo, Vinita Lal, Gunnar L. Sly, Cole Easton, Hojoon Lim, Adrian Hunt, Helen Chen, Yicheng Wang, Ryan T. Hannagan, Jean-Sabin McEwen, Phillip Christopher, Iradwikanari Waluyo, E. Charles H. Sykes

{"title":"Effect of dilute Rh on oxygen dissociation, spillover, and the oxidation of Cu across many orders of magnitude pressure","authors":"Volkan Çınar, Eva Peurrung, Jaeha Lee, Audrey Dannar, Dezhou Guo, Vinita Lal, Gunnar L. Sly, Cole Easton, Hojoon Lim, Adrian Hunt, Helen Chen, Yicheng Wang, Ryan T. Hannagan, Jean-Sabin McEwen, Phillip Christopher, Iradwikanari Waluyo, E. Charles H. Sykes","doi":"10.1016/j.checat.2025.101421","DOIUrl":"https://doi.org/10.1016/j.checat.2025.101421","url":null,"abstract":"Knowledge of how trace amounts of more reactive metals influence the oxidation rate and mechanism of Cu surfaces is essential for developing strategies to optimize the performance of Cu-based catalysts. We find that the addition of 1% Rh to Cu(111) increases the initial O2 dissociation rate by approximately 9-fold. CO poisoning experiments reveal that single Rh atoms activate O2 and facilitate the spillover of atomic oxygen to Cu sites. Scanning tunneling microscopy (STM) and in situ X-ray photoelectron spectroscopy (XPS) support this mechanism, showing enhanced surface oxygen near Rh atoms. A density functional theory (DFT)-based model demonstrates that Rh binds the O2 precursor 0.15 eV more strongly than Cu(111) and lowers the O2 dissociation barrier by 0.02 eV. Both single-crystal and nanoparticle experiments show that at low oxygen pressures, Rh enhances Cu oxidation, whereas at higher pressures, it inhibits deeper oxidation, as evidenced by in situ ultraviolet-visible (UV-vis) spectra.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"9 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144278478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification and characterization of substrate- and product-selective nylon hydrolases 底物和产物选择性尼龙水解酶的鉴定和表征

IF 9.4

Chem Catalysis Pub Date : 2025-06-13 DOI: 10.1016/j.checat.2025.101418

Erin E. Drufva, John F. Cahill, Patricia M.B. Saint-Vincent, Alexis N. Williams, Vera Bocharova, Nikolas Capra, Flora Meilleur, Dana L. Carper, Célestin Bourgery, Kaito Miyazaki, Maina Yonemura, Yuki Shiraishi, Jerry M. Parks, Muchu Zhou, Isaiah T. Dishner, Jeffrey C. Foster, Stephen J. Koehler, Hannah R. Valentino, Ada Sedova, Vilmos Kertesz, Joshua K. Michener

{"title":"Identification and characterization of substrate- and product-selective nylon hydrolases","authors":"Erin E. Drufva, John F. Cahill, Patricia M.B. Saint-Vincent, Alexis N. Williams, Vera Bocharova, Nikolas Capra, Flora Meilleur, Dana L. Carper, Célestin Bourgery, Kaito Miyazaki, Maina Yonemura, Yuki Shiraishi, Jerry M. Parks, Muchu Zhou, Isaiah T. Dishner, Jeffrey C. Foster, Stephen J. Koehler, Hannah R. Valentino, Ada Sedova, Vilmos Kertesz, Joshua K. Michener","doi":"10.1016/j.checat.2025.101418","DOIUrl":"https://doi.org/10.1016/j.checat.2025.101418","url":null,"abstract":"Enzymes can rapidly and selectively hydrolyze diverse natural and anthropogenic polymers, but few have been shown to hydrolyze synthetic polyamides. In this work, we synthesized and characterized a panel of 95 enzymes from the N-terminal nucleophile hydrolase superfamily with 30%–50% pairwise amino acid identity. We found that nearly 40% of the enzymes had substantial nylon hydrolase activity, but there was no relationship between phylogeny and activity, nor any evidence of prior evolutionary selection for nylon hydrolysis. Several newly identified hydrolases showed substrate selectivity, generating up to 20-fold higher product titers with nylon-6,6 versus nylon-6. However, the yield was still less than 1%, necessitating further optimization before potential applications. Finally, we determined the crystal structure and oligomerization state of a nylon-6,6-selective hydrolase to elucidate structural factors that could affect activity and selectivity. These new enzymes provide insights into nylon hydrolase evolution and opportunities for analysis and engineering of improved hydrolases.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"37 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144278479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Catalytic cis-selective [2 + 2] cycloaddition reaction of neutral alkenes with α,β-unsaturated aldehydes/ketones 中性烯烃与α，β-不饱和醛/酮催化顺式选择性[2 + 2]环加成反应

IF 9.4

Chem Catalysis Pub Date : 2025-06-12 DOI: 10.1016/j.checat.2025.101422

Lu Xu, Lei Zeng, Yu Lan, Jinqing Lin, Jiang-Shan Shen, Shihan Liu, Lizhu Gao

引用次数: 0

Best practices for transition-metal catalysts with density functional methods 用密度泛函方法研究过渡金属催化剂的最佳实践

IF 9.4

Chem Catalysis Pub Date : 2025-06-12 DOI: 10.1016/j.checat.2025.101427

Jenny G. Vitillo

引用次数: 0

Unraveling the hydrogenation of α-ketoglutaric acid on Pd through active sites, substrate structure, and kinetics 通过活性位点、底物结构和动力学揭示α-酮戊二酸在Pd上的加氢作用

IF 9.4

Chem Catalysis Pub Date : 2025-06-12 DOI: 10.1016/j.checat.2025.101424

Louis-Thibault J.D. Opsommer, Mostafa Torka Beydokhti, Pierre Eloy, Michiel Dusselier, Damien P. Debecker, Bert F. Sels

{"title":"Unraveling the hydrogenation of α-ketoglutaric acid on Pd through active sites, substrate structure, and kinetics","authors":"Louis-Thibault J.D. Opsommer, Mostafa Torka Beydokhti, Pierre Eloy, Michiel Dusselier, Damien P. Debecker, Bert F. Sels","doi":"10.1016/j.checat.2025.101424","DOIUrl":"https://doi.org/10.1016/j.checat.2025.101424","url":null,"abstract":"α-Ketoglutaric acid (α-KGA) is an upcoming platform molecule in bio-based industries, with catalytic valorization strategies currently being explored. This study investigates the aqueous-phase hydrogenation of α-KGA using hydrogen gas in a batch reactor, focusing on the role of catalyst properties, substrate structure, and kinetics that affect catalytic activity. 5% Pd/C was the most suitable catalyst (at 40°C and 50 bar) with high turnover frequencies (4.3–7.9 s−1), while other metals (Pt, Rh, Ru, Ni, Cu, and Mo) were inferior. The main product, α-hydroxyglutaric acid, was typically produced in high yield (95%), with minor formation of γ-carboxyl butyrolactone (3%). Furthermore, the α-COOH group in the substrate enhanced the activity on Pd whereas inhibition occurred on oxophilic Ru. Finally, a two-step addition of hydrogen to α-KGA on Pd emerged as the most plausible surface reaction pathway. These findings provide a thorough understanding of aqueous-phase hydrogenation of activated α-ketoacids, which is useful for other biomass-derived oxygenates.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"51 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144269268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0