Molecular Catalysis最新文献

Tunable ring-opening reactions of indole catalyzed by DBSA DBSA催化吲哚开环反应的可调性质

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-08-06 DOI: 10.1016/j.mcat.2025.115398

Zijia Liang , Babak Kaboudin , Rongxian Bai , Jianguo Li , Minghao Li , Yanlong Gu

引用次数: 0

Mechanistic details into HNTf2 and water regulated the synthesis of functionalized 3-isochromanones: [3,3] vs [1,3] O → C rearrangement 进入HNTf2和水的机制细节调节了功能化的3-异色罗曼酮的合成：[3,3]与[1,3]O→C重排

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-08-06 DOI: 10.1016/j.mcat.2025.115388

Yuan Sang, Yuting Qiu, Haiyan Yuan, Jingping Zhang

{"title":"Mechanistic details into HNTf2 and water regulated the synthesis of functionalized 3-isochromanones: [3,3] vs [1,3] O → C rearrangement","authors":"Yuan Sang, Yuting Qiu, Haiyan Yuan, Jingping Zhang","doi":"10.1016/j.mcat.2025.115388","DOIUrl":"10.1016/j.mcat.2025.115388","url":null,"abstract":"<div><div>The reaction mechanism for the allyl ether-tethered ynamides to synthesise chiral oxygen-containing heterocycles catalyzed by triflimide (HNTf<sub>2</sub>) has been investigated by density functional theory calculations. Based on the different rearrangement modes of allyl (the rate-determining step), two mechanisms M1 ([1,3] O → C rearrangement) and M2 ([3,3] O → C rearrangement) were studied. The calculation results show that the mechanism M2 is favored than M1. According to the difference of the auxiliary NTf<sub>2</sub><sup>−</sup>/H<sub>2</sub>O and the role of the auxiliary in the rearrangement process, three different paths were explored in M1/M2. We found that the allyl rearrangement process assisted by the O atom on the promoter NTf<sub>2</sub><sup>−</sup> is the most favorable one. M2 encompasses six main processes: HNTf<sub>2</sub> protonated substrate, C−O bond formation, [3,3] O → C rearrangement, water addition, stepwise hydrogen transfer, C−N bond cleavage with HNTf<sub>2</sub> regeneration. Furthermore, the distortion-interaction analysis of the key enantiodetermining transition states is provided to explain the origin of the high enantioselectivity. Our calculations indicate that the enantioselectivity is mainly due to the favourable distortion in the preferential transition states. HNTf<sub>2</sub> is an initiator. NTf<sub>2</sub><sup>−</sup> is the auxiliary in the [3,3] O → C rearrangement process, catalyst to effectively promote the proton transfer and stabiliser. Water molecules act as the reactant, stabiliser, and catalyst to effectively promote the proton transfer. Our results provide a theoretical basis for the optimization of the title reaction.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"586 ","pages":"Article 115388"},"PeriodicalIF":4.9,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144780669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Visible light-driven C-methylenation of N,N’-dimethylaniline using CO2 as a green methylene spacer over CuO/α-Fe2O3 photocatalyst CuO/α-Fe2O3光催化剂上以CO2为绿色亚甲基间隔剂的N，N ' -二甲基苯胺的可见光驱动c -甲基化反应

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-08-05 DOI: 10.1016/j.mcat.2025.115399

Nitish Saini , Anil Malik , Suman L. Jain

引用次数: 0

Achieving high cyclohexanone selectivity via La³⁺-Doped MoO3-x /Carbon dot s-scheme photocatalyst 通过La³+掺杂MoO3-x /碳点s型光催化剂实现高环己酮选择性

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-08-02 DOI: 10.1016/j.mcat.2025.115395

Zewei Liao , Jincheng Liu , Yijun Luo , Wei Cai , Bingjie Li , Xiaoyan Xiang , Yanxiong Fang

{"title":"Achieving high cyclohexanone selectivity via La³⁺-Doped MoO3-x /Carbon dot s-scheme photocatalyst","authors":"Zewei Liao , Jincheng Liu , Yijun Luo , Wei Cai , Bingjie Li , Xiaoyan Xiang , Yanxiong Fang","doi":"10.1016/j.mcat.2025.115395","DOIUrl":"10.1016/j.mcat.2025.115395","url":null,"abstract":"<div><div>Overcoming the limitations of high energy consumption and over-oxidation in cyclohexanol-to-cyclohexanone conversion requires efficient photocatalytic strategies. This work presents a dual-engineered MoO<sub>3-x</sub> catalyst, modified through La³⁺ doping and coupled with electron-enriched carbon dots (CDs) to form an S-scheme heterojunction (LMO<img>CDs). La³⁺ doping induces lattice distortion and oxygen vacancies, enhancing carrier mobility, while the S-scheme junction with CDs significantly boosts charge separation and enables directional interfacial electron transfer. Under ambient conditions, the optimized LMO<img>CDs catalyst achieves exceptional cyclohexanone selectivity of 97.7 % and a conversion efficiency of 19.1 %, representing a 1.93-fold enhancement over pristine MoO<sub>3-x</sub>. The synergistic effects of La³⁺ doping and CDs compounding not only promote the selective adsorption of cyclohexanol but also dramatically improve the utilization of photogenerated charge carriers. Photoelectrochemical characterization, band alignment analysis, and radical trapping experiments elucidate the underlying mechanism. This study demonstrates the pivotal role of combined cation doping and S-scheme heterojunction engineering in developing high-performance photocatalytic systems for selective oxidation.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"585 ","pages":"Article 115395"},"PeriodicalIF":4.9,"publicationDate":"2025-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144757995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

UV-light-promoted transfer hydrogenation of azobenzenes to hydrazobenzenes catalyzed by sodium decatungstate 紫外光促进十钨酸钠催化偶氮苯转移加氢制腙

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-08-01 DOI: 10.1016/j.mcat.2025.115393

Junxiang Li, Lu Wang, Jian Xiao

引用次数: 0

Oxo synthesis of novel fragrant aldehydes from biomass-based cis-jasmone and cis-jasmone lactone in green solvents 生物质基顺式茉莉酮和顺式茉莉内酯在绿色溶剂中氧合成新型芳香醛

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-08-01 DOI: 10.1016/j.mcat.2025.115391

Rayssa L.V. Mota , Amanda de Camargo Faria , Ricardo G. Penido , Kelley C.B. Oliveira , Eduardo N. dos Santos , Camila G. Vieira , Elena V. Gusevskaya

{"title":"Oxo synthesis of novel fragrant aldehydes from biomass-based cis-jasmone and cis-jasmone lactone in green solvents","authors":"Rayssa L.V. Mota , Amanda de Camargo Faria , Ricardo G. Penido , Kelley C.B. Oliveira , Eduardo N. dos Santos , Camila G. Vieira , Elena V. Gusevskaya","doi":"10.1016/j.mcat.2025.115391","DOIUrl":"10.1016/j.mcat.2025.115391","url":null,"abstract":"<div><div>The rhodium catalyzed hydroformylation of <em>cis</em>-jasmone and <em>cis</em>-jasmone lactone, the biomass-based compounds, leads to novel aldehydes with pleasant scents. Both molecules are challenging substrates, having only sterically hindered internal olefinic bonds in their structure and a strong tendency to isomerization under hydroformylation conditions. Despite these challenges, the process based on the Rh/(2,4-di-<sup>t</sup>BuC<sub>6</sub>H<sub>3</sub>O)<sub>3</sub>P catalytic system was developed allowing to obtain only the aldehydes derived from the original C=C bonds in excellent combined yields (97–100 %) from both substrates. The reactions can be efficiently performed in environmentally benign solvents, i.e., dimethyl carbonate, anisole, <em>p</em>-cymene, propylene carbonate, and methyl isobutyl ketone (MIBK), as alternatives to conventional solvents toluene and benzene. To the best of our knowledge, this is the first time that MIBK, a green solvent with excellent rankings in modern solvent selection guides, is employed in hydroformylation.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"585 ","pages":"Article 115391"},"PeriodicalIF":4.9,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144750312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Engineering of BN confined CeO2-x nano-islands as high-performance support of Co3O4 catalyst for efficient propane catalytic oxidation 氮化硼约束CeO2-x纳米岛作为Co3O4催化剂高效丙烷催化氧化载体的工程研究

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-07-30 DOI: 10.1016/j.mcat.2025.115381

Lining Liu , Haojie Wu , Guoling Li , Huadong Wu , Fengyi Wang , Zehui Lin , Chuanhui Zhang , Bingzhi Li , Ganggang Li , Peitao Xie , Xingyun Li

{"title":"Engineering of BN confined CeO2-x nano-islands as high-performance support of Co3O4 catalyst for efficient propane catalytic oxidation","authors":"Lining Liu , Haojie Wu , Guoling Li , Huadong Wu , Fengyi Wang , Zehui Lin , Chuanhui Zhang , Bingzhi Li , Ganggang Li , Peitao Xie , Xingyun Li","doi":"10.1016/j.mcat.2025.115381","DOIUrl":"10.1016/j.mcat.2025.115381","url":null,"abstract":"<div><div>Manipulation of metal-support interaction holds great importance for the improvement of the catalytic performance. Herein, CeO<sub>2-x</sub> nano-islands decorated BN (CeO<sub>2-x</sub>-BN) porous material was engineered as an advanced carrier for Co<sub>3</sub>O<sub>4</sub> catalyst. The optimal Co<sub>3</sub>O<sub>4</sub>/CeO<sub>2-x</sub>-BN catalyst shows excellent propane catalytic oxidation activity with propane reaction rate of 3.3 μmol·g<sub>Cat.</sub><sup>-1</sup>·s<sup>-1</sup> at temperature of 219 °C, which is 13.2 times that of unsupported Co<sub>3</sub>O<sub>4</sub>.The remarkable catalytic performance could be due to the interfacial modulation of Co<sub>3</sub>O<sub>4</sub> catalyst by the CeO<sub>2-x</sub>-BN support, which not only guaranteed a higher dispersion of Co<sub>3</sub>O<sub>4</sub> but also promoted the oxygen vacancy generation and enhanced the active oxygen mobility. Meanwhile, the presence of electron transfer between cobalt oxide and cerium oxide (Co<sup>3+</sup>+ Ce<sup>3+</sup>↔Co<sup>2+</sup>+ Ce<sup>4+</sup>) increases the surface electron density of the catalyst, facilitating the adsorption and activation of reactants. This work exemplifies the importance of catalyst-support interactions for the upgradation of the metal oxides for high performance catalytic oxidation application.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"585 ","pages":"Article 115381"},"PeriodicalIF":4.9,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Natural light-driven bioinspired catalysis for valorization of biomass- based furans to α, β-unsaturated carbonyl compounds 生物质基呋喃转化为α， β-不饱和羰基化合物的自然光驱动生物激发催化

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-07-30 DOI: 10.1016/j.mcat.2025.115379

Hang Tang, Xiaoqian Gao, Xinli Tong, Miao Wang

引用次数: 0

Advances in enzymatic degradation of microplastics: Mechanisms, optimization strategies, and future directions 微塑料酶解的研究进展：机理、优化策略和未来发展方向

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-07-30 DOI: 10.1016/j.mcat.2025.115392

Antônio Luthierre Gama Cavalcante , Dayana Nascimento Dari , Matheus Ferreira de Morais Silva , Rodrigo da Silva Vieira , Francisco Izaias da Silva Aires , Paulo Gonçalves de Sousa Junior , Kaiany Moreira dos Santos , José Cleiton Sousa dos Santos

{"title":"Advances in enzymatic degradation of microplastics: Mechanisms, optimization strategies, and future directions","authors":"Antônio Luthierre Gama Cavalcante , Dayana Nascimento Dari , Matheus Ferreira de Morais Silva , Rodrigo da Silva Vieira , Francisco Izaias da Silva Aires , Paulo Gonçalves de Sousa Junior , Kaiany Moreira dos Santos , José Cleiton Sousa dos Santos","doi":"10.1016/j.mcat.2025.115392","DOIUrl":"10.1016/j.mcat.2025.115392","url":null,"abstract":"<div><div>International attention has focused extensively on ocean pollution and the health risks posed by microplastics (MPs) over the past decade, establishing microplastic treatment as a key research area. Enzyme-mediated biocatalytic depolymerization has emerged as an efficient and sustainable alternative for treating and recycling plastics. However, it is complex and time-consuming to discover new microplastic-degrading enzymes or to improve the enzyme immobilization process using conventional methods based on cultivation, omics, or stabilization on traditional supports. From this perspective, bioengineering and artificial intelligence have presented innovative possibilities: (1) optimizing enzyme immobilization processes; (2) Construction/improvement of new enzymes; (3) Integration between technology and a sustainable economy. Therefore, the potential of enzymes and microorganisms as sustainable and economically viable tools for the efficient degradation of microplastics remains largely unexplored. Despite significant progress, challenges related to enzyme stability, large-scale application, and overall polymer degradation efficiency remain.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"585 ","pages":"Article 115392"},"PeriodicalIF":4.9,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Palladium(0) nanoparticles supported on Benzene Doped Graphitic Carbon Nitride: An efficient catalyst/photocatalyst for Suzuki-Miyaura CC coupling reaction 苯掺杂石墨氮化碳负载的钯纳米颗粒：Suzuki-Miyaura CC偶联反应的高效催化剂/光催化剂

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2025-07-30 DOI: 10.1016/j.mcat.2025.115389

Nafiye Uğur , Halil Ibrahim Önal , Canan Aytuğ Ava , Murat Aydemir , Feyyaz Durap

{"title":"Palladium(0) nanoparticles supported on Benzene Doped Graphitic Carbon Nitride: An efficient catalyst/photocatalyst for Suzuki-Miyaura CC coupling reaction","authors":"Nafiye Uğur , Halil Ibrahim Önal , Canan Aytuğ Ava , Murat Aydemir , Feyyaz Durap","doi":"10.1016/j.mcat.2025.115389","DOIUrl":"10.1016/j.mcat.2025.115389","url":null,"abstract":"<div><div>As a key method for C–C bond formation, the Suzuki–Miyaura coupling is usually catalysed by homogeneous systems under thermal heating, making catalyst separation difficult and requiring high energy input. Herein, the preparation, characterisation and catalytic/photocatalytic performance of heterogeneous nanocatalysts with BD-g-C<sub>3</sub>N<sub>4</sub> (Benzene Doped Graphitic Carbon Nitride) support material, whose surface was modified with Pd nanoparticles, is presented. The photocatalytic and catalytic activity of the obtained Pd@BD-g-C<sub>3</sub>N<sub>4</sub> nanocatalyst was investigated in Suzuki–Miyaura C<img>C coupling reactions of phenylboronic acid and various arylhalides under aerobic conditions and water as sole solvent. The Pd@BD-g-C<sub>3</sub>N<sub>4</sub> catalyst in the coupling of <em>p-</em>bromoacetophenone and phenylboronic acid showed conversion rates of between 73 and 99 % as a photocatalyst under visible light irradiation at 25 °C and as a thermal catalyst at 100 °C, respectively. Furthermore, Pd@BD-g-C<sub>3</sub>N<sub>4</sub> shows very good recyclability and wide applicability for Suzuki-Miyaura C<img>C coupling reactions.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"585 ","pages":"Article 115389"},"PeriodicalIF":4.9,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724370","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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