ChemCatChem最新文献_第5页

Front Cover: Systematic Evaluation for Upscaling of the Transaminase-Catalyzed Transamination of 5-(Hydroxymethyl)Furfural 封面：转氨酶催化5-（羟甲基）糠醛转氨化升级的系统评价

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-16 DOI: 10.1002/cctc.71081

Tom Kunde, Aleksandr Sobolev, Jana Sakhrai, Per Berglund, Jan von Langermann, Tobias Heinks

引用次数: 0

Can the Nonheme Iron Oxygenase Thymine Hydroxylase Catalyze Three Successive Reaction Cycles on One Substrate? 非血红素铁加氧酶胸腺碱羟化酶能在一个底物上催化三个连续的反应循环吗？

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-16 DOI: 10.1002/cctc.71063

Jingyu Cao, Sam P. de Visser

{"title":"Can the Nonheme Iron Oxygenase Thymine Hydroxylase Catalyze Three Successive Reaction Cycles on One Substrate?","authors":"Jingyu Cao, Sam P. de Visser","doi":"10.1002/cctc.71063","DOIUrl":"https://doi.org/10.1002/cctc.71063","url":null,"abstract":"Thymine-7-hydroxylase is a unique enzyme among the nonheme iron and α-ketoglutarate dependent dioxygenases that converts its substrate (thymine) through three successive catalytic cycles into 5-carboxyluracil. Little is known about its mechanism and whether products escape and rebind after each reaction cycle or stay inside the protein fold until the full set of three cycles is complete. To gain insight into the catalytic mechanism and dynamics of thymine-7-hydroxylase a computational study was performed. Long (0.5 µs) molecular dynamics simulations of enzymatic models of the protein with thymine, 5-hydroxymethyluracil, and 5-formyluracil bound in the substrate-binding pocket kept the fold and three-dimensional structure of the protein and never displayed major changes in the substrate binding and orientation. Subsequently, QM cluster models of larger than 240 atoms for each of the reaction steps were created and the reaction mechanisms evaluated. All steps start with a rate-determining hydrogen atom abstraction and lead to thymine hydroxylation followed by 5-hydroxymethyluracil desaturation to form 5-formyluracil and a final hydroxylation step to give 5-carboxyluracil products. These studies show that tight binding of the substrate can trigger multiple reaction cycles due to the long lifetime of the product complexes.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 18","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.71063","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148974883","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}

引用次数: 0

Pincer-Manganese Catalyzed α-Alkylation of Nitriles 钳形锰催化腈的α-烷基化反应

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-16 DOI: 10.1002/cctc.71069

Akshara Bisarya, Babu Venkateshappa, Farhan Ahmad Pasha, Akshai Kumar

引用次数: 0

Preparation of a Molybdenum Sulfide/Nitride Composite as an Electrochemical CO2 Reduction Catalyst 硫化钼/氮化钼复合材料作为电化学CO2还原催化剂的制备

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-16 DOI: 10.1002/cctc.71068

Satoru Ihara, Kiyohiro Adachi, Hiroaki Kaneko, Tomotaka Sugimura, Satoru Hamamoto, Masaki Oura, Daisuke Hashizume, Masahiro Miyauchi, Akira Yamaguchi

{"title":"Preparation of a Molybdenum Sulfide/Nitride Composite as an Electrochemical CO2 Reduction Catalyst","authors":"Satoru Ihara, Kiyohiro Adachi, Hiroaki Kaneko, Tomotaka Sugimura, Satoru Hamamoto, Masaki Oura, Daisuke Hashizume, Masahiro Miyauchi, Akira Yamaguchi","doi":"10.1002/cctc.71068","DOIUrl":"https://doi.org/10.1002/cctc.71068","url":null,"abstract":"Molybdenum disulfide (MoS2) possesses multiple adsorption sites and is therefore an attractive catalytic material for electrochemical carbon dioxide (CO2) reduction because of the possibility of breaking the scaling relationship that limits the catalytic activity and product selectivity. Doping with hetero elements, such as nitrogen, is a promising strategy to enhance the catalytic activity of MoS2; however, previous works have been limited to small doping amounts (<6 atom%). In the present work, a solid-state reaction was used to prepare a composite catalytic material comprised of MoS2 and molybdenum nitride (Mo2N) with a high nitrogen content. Elemental analysis demonstrated that a solid-state reaction between MoS2 and lithium nitride successfully synthesized a MoS2-Mo2N composite with 14 atom% nitrogen. Notably, the composite exhibited higher Faradaic efficiency and partial current density for HCOOH production from CO2 in a non-ionic aqueous medium in comparison to pristine MoS2 and Mo2N. The results of density functional theory calculations indicated that the CO2 reduction reaction to HCOOH is more favorable than the hydrogen evolution reaction on the MoS2–Mo2N composite surface at a sufficient applied potential to drive either reaction. The findings presented here provide valuable insights into the design and synthesis of electrocatalysts for CO2 reduction in aqueous electrolytes.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 18","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.71068","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148974914","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}

引用次数: 0

A Bifunctional RuOx Film-Coated Electrode for Efficient Water Splitting as Prepared by a Mixed Metal-Imidazole Casting (MiMIC) Method 用混合金属-咪唑铸造（MiMIC）法制备高效水分解双功能若氧化膜包覆电极

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-16 DOI: 10.1002/cctc.71055

Fasil Tadesse Assefa, Yuta Tsubonouchi, Shogo Itabashi, Nobuhiko Tokita, Reika Ide, Rie Haruki, Shunsuke Nozawa, Manabu Ishizaki, Masato Kurihara, Zaki N. Zahran, Debraj Chandra, Masayuki Yagi

{"title":"A Bifunctional RuOx Film-Coated Electrode for Efficient Water Splitting as Prepared by a Mixed Metal-Imidazole Casting (MiMIC) Method","authors":"Fasil Tadesse Assefa, Yuta Tsubonouchi, Shogo Itabashi, Nobuhiko Tokita, Reika Ide, Rie Haruki, Shunsuke Nozawa, Manabu Ishizaki, Masato Kurihara, Zaki N. Zahran, Debraj Chandra, Masayuki Yagi","doi":"10.1002/cctc.71055","DOIUrl":"https://doi.org/10.1002/cctc.71055","url":null,"abstract":"<div>\u0000 \u0000 Development of highly active and durable bifunctional electrodes working for both oxygen and hydrogen evolving reactions (OER and HER) is productive for improving the performance and scalability of a water-splitting electrolyzer. Toward such bifunctional electrodes, a rigidly-adhered RuOx (RuOx(w)) film was formed on a fluorine-doped tin oxide conducting glass (FTO) or glassy carbon (GC) substrate by a facile and scalable technique of a mixed metal-imidazole casting (MiMIC) method with 1-methylimidazole (MeIm). The RuOx(w) film demonstrated superior OER and HER performances in a 1.0 M KOH solution compared with the RuOx(w/o) film prepared without MeIm due to the uniformly dense RuOx(w) film composed of well-interconnected RuOx nanoparticles. The mass activities (jm) of the RuOx(w) / GC electrode for OER and HER were 309.6 and 1027.2 mA cm−2 mgRu−1 at overpotential (η) of 400 and 100 mV, respectively, both of which are the highest or favorably comparable among the RuOx-based catalysts as the state-of-the-art OER anodes and HER cathodes. The high OER and HER performances of the RuOx(w) film are attributed to the high-rate constants of OER and HER at the surface, although charge transport in the RuOx(w) film is not appreciably different from that in the RuOx(w/o) film.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 18","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148974922","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}

引用次数: 0

Dual Functional Urea Tethered Al(III) MOF as a Robust Heterogeneous Platform for Hydrogen Bond Assisted Friedel-Crafts Alkylation and Cu(II)-Mediated Chan–Lam Coupling 双功能脲系Al(III) MOF作为氢键辅助Friedel-Crafts烷基化和Cu（II）介导的Chan-Lam偶联的稳健非均相平台

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-16 DOI: 10.1002/cctc.71070

Srijan Mukherjee, Priti Bera, Sandip Roy, Niraj Kumar, Diletta Morelli Venturi, Shyam Biswas

{"title":"Dual Functional Urea Tethered Al(III) MOF as a Robust Heterogeneous Platform for Hydrogen Bond Assisted Friedel-Crafts Alkylation and Cu(II)-Mediated Chan–Lam Coupling","authors":"Srijan Mukherjee, Priti Bera, Sandip Roy, Niraj Kumar, Diletta Morelli Venturi, Shyam Biswas","doi":"10.1002/cctc.71070","DOIUrl":"https://doi.org/10.1002/cctc.71070","url":null,"abstract":"<div>\u0000 \u0000 We report a highly physico-chemically stable urea-functionalized Al-based MOF 1′ (Al(OH)(C15H10N2O5)) exhibiting excellent dual catalytic activity toward Friedel-Crafts alkylation reaction between β-nitrostyrene and indole. The strategic incorporation of urea functionality introduces a cyclic hydrogen-bonding motif with dual N–H donors, activates the β-nitrostyrene through hydrogen-bond-induced polarization, and boosts the overall reaction kinetics. Furthermore, the catalyst demonstrates broad substrate scope, facilitating the synthesis of a series of indole derivatives with moderate to high yields. In addition, the pendant urea functionality was further utilized for the effective anchoring of Cu(II) ions in the synthesis of the copper-doped catalyst 1′@Cu. Strong chelation between the nitrogen sites of the urea moiety and copper minimizes metal leaching and facilitates copper-mediated Chan-Lam coupling between aniline and phenylboronic acid. This enables the successful synthesis of a wide variety of N-arylated aniline derivatives under mild conditions with higher yields. In addition, the use of earth-abundant aluminium in MOF construction is advantageous for reducing the catalyst's cost and enhancing its large-scale applicability. Moreover, the robust framework architecture ensures excellent recyclability while maintaining catalytic performance over multiple cycles. Overall, this study reveals the potential of Al-based MOFs as robust heterogeneous supports for immobilizing homogeneous catalysts for various catalytic organic transformations.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 18","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148974923","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}

引用次数: 0

Beyond Equilibrium CO Production via Temperature Swing Adsorption-Assisted Reverse Water–Gas Shift 通过变温吸附辅助的逆水气转换产生超过平衡态的CO

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-16 DOI: 10.1002/cctc.71071

N. Semih Altinsoy, Ahmet K. Avci

{"title":"Beyond Equilibrium CO Production via Temperature Swing Adsorption-Assisted Reverse Water–Gas Shift","authors":"N. Semih Altinsoy, Ahmet K. Avci","doi":"10.1002/cctc.71071","DOIUrl":"https://doi.org/10.1002/cctc.71071","url":null,"abstract":"Sorption-enhanced reverse water–gas shift (SE-RWGS) is investigated experimentally at atmospheric pressure over an in-house synthesized CuO/ZnO/Al2O3 (CZA) catalyst physically mixed with commercial Zeolite 3A (Z3A) in a fixed-bed reactor. The effects of Z3A loading (10–25 g), reaction temperature (250°C–325°C), regeneration temperature (300°C–350°C), and regeneration time (5–60 min) on CO2 conversion, CO yield, and CO production rate are systematically examined over multiple reaction–regeneration cycles. During the initial sorption-active phase, CO2 conversion and CO yield exceed 80% at 275°C, significantly surpassing the thermodynamic equilibrium value of 24.5%. Increasing Z3A loading slows the rate of performance decay by sustaining a higher H2O adsorption driving force, with near-complete sorbent saturation reached by ∼60 min regardless of loading. The optimum reaction temperature and sorbent loading are identified as 275°C and 25 g, respectively, yielding a maximum CO production rate of 0.11 kgCO kgcat−1 h−1, which can be increased by 35% by decreasing the regeneration period from 60 min to 15 min. Regeneration at 5 min and 300°C nearly doubles the CO production rate to ∼0.20 kgCO kgcat−1 h−1 relative to the 60 min baseline. Stability testing across consecutive reaction–regeneration cycles confirms the robustness of the CZA catalyst under optimal operating conditions.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 18","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.71071","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148974880","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}

引用次数: 0

Boosting Catalytic Conversion of Thymol to Menthol Over Flake-Shaped NiO Catalyst 片状NiO催化剂促进百里香酚制薄荷醇的催化转化

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-16 DOI: 10.1002/cctc.71077

Huimin Xing, Haifang Mao, Miaomiao Jin, Chaoyang Wang, Jibo Liu, Yong Guo, Xiang Zheng, Qiang Zhang, Jun Yu

引用次数: 0

Understanding of Changed Hydrogen Evolution Reaction Characteristics by Controlling Pt─WOx Interactions in Different Tungsten Oxide Phases 通过控制不同氧化钨相中Pt─WOx相互作用改变析氢反应特征的认识

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-10 DOI: 10.1002/cctc.71056

So Hui Jeong, Lee Seul Oh, Mi Yoo, Tae-Ho Kim, Hyung Ju Kim

{"title":"Understanding of Changed Hydrogen Evolution Reaction Characteristics by Controlling Pt─WOx Interactions in Different Tungsten Oxide Phases","authors":"So Hui Jeong, Lee Seul Oh, Mi Yoo, Tae-Ho Kim, Hyung Ju Kim","doi":"10.1002/cctc.71056","DOIUrl":"https://doi.org/10.1002/cctc.71056","url":null,"abstract":"Tungsten oxides (WOx) are promising supports for Platinum (Pt) catalysts in the hydrogen evolution reaction (HER). However, how changes to the WOx state and phase influence Pt active site characteristics and why these factors affect the HER performance are still not clearly understood. In this study, Pt catalysts were synthesized on WO3 and WO2+x supports with identical Pt loading to identify the effect on HER performance according to different WOx support phases. Pt existed as surface particles on WO3 whereas it was likely present in an atomic-scale form on the sub-surface region in WO2+x. This difference in structure changed the availability of active sites and the electronic structure of Pt. It also led to different HER behavior depending on the electrolyte environment. The synthesized Pt/WO3 and Pt/WO2+x catalysts exhibited significant differences under alkaline conditions. In particular, the Pt/WO3 catalyst showed roughly three times higher mass activity and 33 times higher specific activity than commercial Pt/C (Tanaka). However, the difference between Pt/WO3 and Pt/WO2+x had little effect on the HER performance under acidic conditions. This study provides scientific insights into how Pt catalyst design with different WOx phases influences electrochemical HER characteristics.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 17","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.71056","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148943091","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}

引用次数: 0

Discerning the Role of Simultaneous Morphology Modulation and Oxygen Vacancy Incorporation in Escalating the Photocatalytic Activity of BiOI 识别同时形态调节和氧空位加入在提高BiOI光催化活性中的作用

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-09-10 DOI: 10.1002/cctc.71057

Rashmi Acharya, Anubhav Naik

{"title":"Discerning the Role of Simultaneous Morphology Modulation and Oxygen Vacancy Incorporation in Escalating the Photocatalytic Activity of BiOI","authors":"Rashmi Acharya, Anubhav Naik","doi":"10.1002/cctc.71057","DOIUrl":"https://doi.org/10.1002/cctc.71057","url":null,"abstract":"<div>\u0000 \u0000 BiOI is considered a versatile visible-light-active semiconductor photocatalyst. However, its efficacy is restricted owing to the low surface area and fast recombination rate. In this study, these challenges were addressed by tuning the morphology, modifying exposed facets, and incorporating oxygen vacancies (Ovs) through the simple treatment of spherical BiOI (S-BOI) in N, N-dimethylformamide (DMF) at 120°C for 24 h. FE-SEM results revealed that pentagonal lamellar sheet-structured BiOI (PL-BOI) was obtained due to the high pressure in the reactor developed by DMF, robust coordination interaction of its C═O and ─N- groups with Bi3+, and the strong +I effect experienced from the methyl groups present in it. This morphology modification resulted in a large surface area with enhanced pore volume and pore diameter. Moreover, the electron-transfer effect of amino groups in DMF resulted in the incorporation of Ovs. The synergism between morphology tuning and the introduction of Ovs enabled PL-BOI to exhibit 99% MB degradation and 95% Cr (VI) reduction, which are significantly higher than those achieved by hydrothermally treated BiOI (H-BOI) and S-BOI. The enhanced MB degradation efficiency is supported by a two-electron reduction method to produce hydroxyl radicals (●OH), which were found to be the primary reactive species.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 17","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148943092","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}

引用次数: 0