Molecular Catalysis最新文献_第8页

Synthesis of iron nanoparticles for heterogeneous electrocatalytic oxidation of acid orange dye: In situ and stepwise mechanism 非均相电催化氧化酸性橙染料用铁纳米颗粒的合成：原位和分步机理

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.mcat.2026.115755

Redae Nuguse Berhe , Martha Dagnew , Juwon Park , Joon Wun Kang , Hyunook Kim

{"title":"Synthesis of iron nanoparticles for heterogeneous electrocatalytic oxidation of acid orange dye: In situ and stepwise mechanism","authors":"Redae Nuguse Berhe , Martha Dagnew , Juwon Park , Joon Wun Kang , Hyunook Kim","doi":"10.1016/j.mcat.2026.115755","DOIUrl":"10.1016/j.mcat.2026.115755","url":null,"abstract":"<div><div>Recent research has been focused on synthesizing iron oxide (Fe<sub>3</sub>O<sub>4</sub>) nanoparticles (Fe<sub>3</sub>O<sub>4</sub> NPs) for wastewater treatment via electrochemical oxidation. In this study, Fe<sub>3</sub>O<sub>4</sub> NPs of various sizes were synthesized from iron chloride salts (Fe<sub>3</sub>O<sub>4</sub> NPs-C), iron sulfate salts (Fe<sub>3</sub>O<sub>4</sub> NPs-S) and a mixture of both salts (Fe<sub>3</sub>O<sub>4</sub> NPs-M). The effect of pH and anionic strength of each salt precursor on the size distribution of Fe<sub>3</sub>O<sub>4</sub> NPs (C, S, and M) was investigated. The synthesized Fe<sub>3</sub>O<sub>4</sub> NPs were characterized using several techniques to analyze their physio-chemical properties. Field emission-scanning electron microscope (FE-SEM) and vibrating sample magnetometer analysis of Fe<sub>3</sub>O<sub>4</sub> NPs (C, S, and M) revealed average hydrodynamic diameter of 23, 17 and 48 nm, with saturation magnetization of 76 ± 2.4, 79 ± 2.6 and 66 ± 2.8 emu g<sup>-1</sup>, respectively. Dispersed Fe<sub>3</sub>O<sub>4</sub> NPs were prepared from each Fe<sub>3</sub>O<sub>4</sub> NPs (C, S, and M), achieving catalytic oxidation efficiencies for Acid Orange 7 (AO7) of 89.4 ± 1.7%, 93.2 ± 1.5% and 83.7 ± 2.3%, respectively. At optimal operating conditions, 97.8 ± 1.4% oxidation efficiency was obtained over 40 min using Fe<sub>3</sub>O<sub>4</sub> NPs-S heterogenous electrode. Finally, the regeneration efficiency of Fe<sub>3</sub>O<sub>4</sub> NPs-S was found to be 54.3 ± 2.8% after seven consecutive cycles, demonstrating the potential of these synthesized heterogenous dispersed Fe<sub>3</sub>O<sub>4</sub> NPs for efficient and reusable electrocatalytic oxidation of organic pollutants.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115755"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074335","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 FeS/NiS nanocomposites using biomass-derived carbon support to modulate spin polarization and catalytic properties 利用生物质衍生碳载体调节自旋极化和催化性能的FeS/NiS纳米复合材料工程

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.mcat.2026.115749

Prashant K. Bhartiya , Manish Srivastava , Debabrata Mishra

{"title":"Engineering of FeS/NiS nanocomposites using biomass-derived carbon support to modulate spin polarization and catalytic properties","authors":"Prashant K. Bhartiya , Manish Srivastava , Debabrata Mishra","doi":"10.1016/j.mcat.2026.115749","DOIUrl":"10.1016/j.mcat.2026.115749","url":null,"abstract":"<div><div>In this work, a chiral molecule-overlay FeS/NiS nanocatalyst supported by rice husk ash (RHA) derived graphene like carbon nanosheets (GLCN) is synthesized and electrochemically evaluated on a nickel foam (NiF) substrate for effective hydrogen evolution reactions (HER) and oxygen evolution reactions (OER). An abundant agricultural biowaste, RHA-derived GLCN makes it an eco-friendly alternative to expensive catalysts, which improves the stability and surface area of the catalyst by acting as a durable and porous support matrix. The assimilation of chiral coatings induces chiral-induced spin selectivity (CISS), which enhances both HER and OER performance. From electrochemical study, in alkaline conditions, the NiF-FeS/NiS/GLCN hybrid electrode with chiral molecules coating provides a remarkable overpotential of -109 mV for HER at -20 mAcm<sup>-2</sup> and 290 mV for OER at 20 mAcm<sup>-2</sup>. The combined advantages of conductive FeS/NiS/GLCN active sites and spin-polarization effects provided by chiral coatings are responsible for this prominent enhancement in current density (<span><math><mrow><mo>∼</mo><mn>3</mn><mo>−</mo><mi>f</mi><mi>o</mi><mi>l</mi><mi>d</mi></mrow></math></span>) both in OER & HER. The findings pave the way for the development of next-generation electrocatalysts that use sustainable materials and novel surface modifications to achieve effective energy conversion in water splitting applications.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115749"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074840","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

Unraveling the catalytic role of Fe2/Cu(111) diatomic sites in selective CO2 electroreduction to ethanol 揭示Fe2/Cu（111）双原子位在选择性CO2电还原制乙醇中的催化作用

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.mcat.2026.115750

Yilei Zhou, Zhiyuan Yang, Liyun Jiang, Qi Yu

引用次数: 0

Sustainable conversion of biogenic citronellal to cis-p-menthane-3,8-diol via tailored Cr-doped sulfonated biochar catalyst 通过定制的铬掺杂磺化生物炭催化剂可持续地将生物香茅醛转化为顺式对甲烷-3,8-二醇

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-03-01 Epub Date: 2026-01-29 DOI: 10.1016/j.mcat.2026.115735

Prashant Kumar , Priyabrat Mohapatra , Chandan Singh Chanotiya , Mohd Faizan Husain , Himmat Singh , Narayan Prasad Yadav , Suresh Kumar Bhargava , Selvakannan Periasamy , Ylias Sabri , Prasant Kumar Rout

{"title":"Sustainable conversion of biogenic citronellal to cis-p-menthane-3,8-diol via tailored Cr-doped sulfonated biochar catalyst","authors":"Prashant Kumar , Priyabrat Mohapatra , Chandan Singh Chanotiya , Mohd Faizan Husain , Himmat Singh , Narayan Prasad Yadav , Suresh Kumar Bhargava , Selvakannan Periasamy , Ylias Sabri , Prasant Kumar Rout","doi":"10.1016/j.mcat.2026.115735","DOIUrl":"10.1016/j.mcat.2026.115735","url":null,"abstract":"<div><div>p-Menthane-3,8-diol (PMD) is a bio-derived mosquito repellent valued for its low toxicity and environmental safety compared to synthetic alternatives such as DEET. Here, we report a sustainable catalytic pathway for the selective semi-synthesis of PMD from citronellal-rich essential oils using Cr-functionalized sulfonated biochar (Cr-SBC-HT) derived via hydrothermal carbonization. The tailored 5 %Cr-SBC-HT catalyst delivered 99 % conversion of citronellal and 96.7 % selectivity towards <em>cis</em>-PMD (<em>cis</em>/<em>trans</em> ratio 93:7) under mild conditions (60 °C, 85 min, 15 wt % catalyst). The catalyst exhibited robust structural integrity and reusability across ten cycles, underpinned by detailed physicochemical characterization (XRD, FT-IR, BET, TGA, SEM, HRTEM, XPS). Process optimization using response surface methodology (RSM)-box behnken design (BBD) further improved efficiency. The methodology demonstrated excellent green metrics, with a Process mass intensity (PMI) of 1.045, Turnover number (TON) of 386, Turnover frequency (TOF) of 272 h⁻¹, and an E-factor of 0.045. The enriched <em>cis</em>-PMD has displayed mosquito repellency for up to 6 h against Aedes species, confirming its practical application. This study highlighted the role of biomass-derived catalysts in enabling scalable, durable, and environmentally benign chemical manufacturing, bridging green materials development with bioactive product synthesis.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115735"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074845","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

MOF-constrained Rh enables stable in situ H2O2 supply for peroxide-dependent enzymes mof约束的Rh使过氧化氢依赖酶的原位H2O2供应稳定

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-02-15 Epub Date: 2026-01-08 DOI: 10.1016/j.mcat.2026.115702

Yutong Wang , Chunyu Huang , Jelco Albertsma , Monique van der Veen , Miguel Alcalde , Frank Hollmann

{"title":"MOF-constrained Rh enables stable in situ H2O2 supply for peroxide-dependent enzymes","authors":"Yutong Wang , Chunyu Huang , Jelco Albertsma , Monique van der Veen , Miguel Alcalde , Frank Hollmann","doi":"10.1016/j.mcat.2026.115702","DOIUrl":"10.1016/j.mcat.2026.115702","url":null,"abstract":"<div><div>Peroxide-dependent enzymes often suffer from irreversible oxidative deactivation by the peroxide co-substrate. Transition metal mediated in situ generation of H<sub>2</sub>O<sub>2</sub> offers continuous peroxide feeding in low concentration. However, free metal complexes often interact non-selectively with proteins, leading to mutual deactivation of metal catalysts and enzymes. Here, we report a spatial isolation strategy using zirconium-based metal-organic frameworks (UiO-67) to immobilize the transition metal catalytic unit [Cp*Rh(bpy)Cl]⁺. The porous MOF structure acts as a molecular sieve, excluding enzymes from the Rh sites on the framework, thus protecting both catalysts from mutual deactivation. The Rh modified UiO-67 (Rh@UiO-67) catalyzes the flavin-mediated electron transfer from formate to oxygen, generating H<sub>2</sub>O<sub>2</sub> in a formate oxidase mimicking fashion. Its protein compatibility allows Rh@UiO-67 to fuel peroxyzymes for stable oxyfunctionalization. Compared to natural formate oxidase, this system also shows high stability to various pH and temperatures, enabling its application in versatile conditions.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"591 ","pages":"Article 115702"},"PeriodicalIF":4.9,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145922428","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

Chemoenzymatic synthesis of mirabegron using an engineered styrene monooxygenase 利用工程苯乙烯单加氧酶化学酶合成米拉贝隆

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-02-15 Epub Date: 2025-12-27 DOI: 10.1016/j.mcat.2025.115686

Bingrong Chen , Saili Xu , Qidong Pan , Rongchuan Hong , Wei Zhu , Xiaoxia Liu , Miaolin Ke , Zhiran Ju , Fener Chen

引用次数: 0

(Chloroformyl)acetates as a key platform molecule for converting chloroacetic acid to high-end chemicals （氯甲酰基）醋酸酯是氯乙酸转化为高端化学品的关键平台分子

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-02-15 Epub Date: 2025-12-19 DOI: 10.1016/j.mcat.2025.115670

Bo Zhao , Yujia Liu , Jing Li , Guoquang Tang , Babak Kaboudin , Jianbin Li , Yanlong Gu

引用次数: 0

Unraveling pore-dependent metal–support interactions in CuO/SiO2 catalysts for low-temperature reverse water–gas shift catalysis CuO/SiO2催化剂中孔依赖性金属-载体相互作用的低温逆水气转换催化研究

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-02-15 Epub Date: 2025-12-29 DOI: 10.1016/j.mcat.2025.115691

Thanapha Numpilai , Nutkamaithorn Polsomboon , Napaphut Dolsiririttigul , Wanwisa Limphirat , Waleeporn Donphai , Anusorn Seubsai , Metta Chareonpanich , Thongthai Witoon

{"title":"Unraveling pore-dependent metal–support interactions in CuO/SiO2 catalysts for low-temperature reverse water–gas shift catalysis","authors":"Thanapha Numpilai , Nutkamaithorn Polsomboon , Napaphut Dolsiririttigul , Wanwisa Limphirat , Waleeporn Donphai , Anusorn Seubsai , Metta Chareonpanich , Thongthai Witoon","doi":"10.1016/j.mcat.2025.115691","DOIUrl":"10.1016/j.mcat.2025.115691","url":null,"abstract":"<div><div>This study investigates the structure–activity relationship of Cu/SiO<sub>2</sub> catalysts for the reverse water–gas shift (RWGS) reaction, focusing on how silica pore size and silanol density govern Cu dispersion, redox behavior, and catalytic performance. Mesoporous silica supports with average pore sizes of 2.1–11.0 nm were synthesized by sol–gel synthesis at different pH values and subsequently impregnated with 10–15 wt% Cu. Structural characterization (N<sub>2</sub> sorption, XRD, TEM, and EXAFS) revealed that small pores and high silanol density enhanced Cu dispersion but also stabilized Cu<sup>2+</sup> species and strongly bound CO<sub>2</sub>, while large pores with low silanol density promoted Cu aggregation and weakened metal–support interactions. H<sub>2</sub>-TPD and CO<sub>2</sub>-TPD analyses showed that catalysts with intermediate pore sizes provided both accessible metallic Cu<sup>0</sup> sites for H<sub>2</sub> activation and abundant Cu–O–Si interfacial sites for CO<sub>2</sub> chemisorption. Among the series, 10Cu/S-3.9 achieved the highest CO<sub>2</sub> conversion (8.4%) with an optimal balance between dispersion, reducibility, and product desorption, while also demonstrating excellent long-term stability (9.8% conversion after 50 h, 100% CO selectivity). Apparent activation energies (66–84 kJ mol<sup>-1</sup>) further correlated with the interplay of pore structure, silanol density, and Cu–support interaction. These findings establish pore-size and silanol engineering as an effective strategy to tune Cu structure and guide the rational design of efficient Cu-based RWGS catalysts.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"591 ","pages":"Article 115691"},"PeriodicalIF":4.9,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881763","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

Engineered acidic porosity of glauconite-sulfonated polystyrene (G/SPS) composite for selective catalytic cracking of waste oil to biofuel 海绿石-磺化聚苯乙烯（G/SPS）复合材料选择性催化裂化废油制备生物燃料的工程酸性孔隙

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-02-15 Epub Date: 2025-12-30 DOI: 10.1016/j.mcat.2025.115684

Doaa A. Khalifa , Abdelrahman M. Rabie , Elsayed A. Elsharaky , Doaa I. Osman , Omayma F. Abdel-Gawad , Sayed A. Ahmed

{"title":"Engineered acidic porosity of glauconite-sulfonated polystyrene (G/SPS) composite for selective catalytic cracking of waste oil to biofuel","authors":"Doaa A. Khalifa , Abdelrahman M. Rabie , Elsayed A. Elsharaky , Doaa I. Osman , Omayma F. Abdel-Gawad , Sayed A. Ahmed","doi":"10.1016/j.mcat.2025.115684","DOIUrl":"10.1016/j.mcat.2025.115684","url":null,"abstract":"<div><div>The catalytic cracking (CC) of sunflower waste cooking oils (SFWCOs) provides an alternative to nonrenewable fuels. A novel composite catalyst was developed by combining natural glauconite clay with synthetic sulfonated recycled polystyrene polymer (G/SPS) for CC of SFWCO. The G/SPS catalyst was analyzed using XRD, FTIR, BET surface area, TGA, and NH<sub>3</sub>-TPD. XRD shows that SPS coats G clay particles, reducing polymer aggregation and forming well-organized quasi-crystals on the materials surface. TGA analysis shows that the catalyst maintains stability up to 350 °C without decomposing the sulfonic group. NH<sub>3</sub>-TPD analysis reveals both moderate and strong acid sites on the synthetic composite. Various parameters, including temperature and catalyst concentration, were studied. The results indicated a maximum conversion of 98.8% and a 91.66% yield when the catalyst weight was 0.6% of the SFWCO weight and the temperature was 340 °C. The biofuels produced satisfying ASTM specifications for both physical and chemical properties. Distillation and gas chromatography (GC) of the organic liquid products (OLPs) displayed that the selectivity towards hydrocarbons in the C8-C14 range (bio jet) made up 41.3%, while those in the C12-C24 range (diesel-range hydrocarbons) comprised 58.7%. The catalytic activity and reaction mechanism were explained using GC–MS analysis. The catalyst remained stable and effective over six cycles, producing biofuel with properties close to international standards.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"591 ","pages":"Article 115684"},"PeriodicalIF":4.9,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881377","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

Hydrodearomatization deceleration as a key factor of improved selectivity in transfer hydrogenation of phenolics over Ni-Co bifunctional catalysts 加氢脱芳减速是提高酚类化合物在镍钴双功能催化剂上转移加氢选择性的关键因素

IF 4.9 2区化学

Molecular Catalysis Pub Date : 2026-02-15 Epub Date: 2026-01-09 DOI: 10.1016/j.mcat.2026.115711

Damir Nasokhov, Alexey Philippov, Nikolay Nesterov, Vera Pakharukova, Igor Prosvirin, Oleg Martyanov

{"title":"Hydrodearomatization deceleration as a key factor of improved selectivity in transfer hydrogenation of phenolics over Ni-Co bifunctional catalysts","authors":"Damir Nasokhov, Alexey Philippov, Nikolay Nesterov, Vera Pakharukova, Igor Prosvirin, Oleg Martyanov","doi":"10.1016/j.mcat.2026.115711","DOIUrl":"10.1016/j.mcat.2026.115711","url":null,"abstract":"<div><div>The study aims to control the selectivity towards hydrodeoxygenation (HDO) products in the transfer hydrogenation of guaiacol and anisole by decelerating aromatic ring saturation, using isopropanol as a hydrogen donor. For this purpose, bifunctional Ni-Co catalysts were synthesized using an eco-friendly method based on coprecipitation in supercritical CO<sub>2</sub>. The bifunctionality of the bimetallic catalysts was achieved through the controlled replacement of some nickel with cobalt, a metal that is known to have lower activity in the saturation of aromatic rings. The peculiarities of the synthesized samples are high content of the active compound and monophasic bimetallic particles, which facilitates interaction between Ni and Co. It was observed that the rate of aromatic ring saturation decreased as nickel was substituted for cobalt in the catalyst. Simultaneously, the rate constants of anisole and guaiacol HDO responded differently to cobalt substitution. The hydrogenolysis of the C<img>OMe bond in guaiacol accelerated with higher Co content. In contrast, for anisole, the elimination of the same fragment, catalyzed by bimetallic catalysts, slowed down compared to the monometallic Ni sample. Importantly, the approach of slowing hydrodearomatization proved versatile, as this effect was observed for both anisole and guaiacol with an increase in Co content. Thus, this work demonstrates the design of catalysts capable of processing real lignin pyrolysis oil, which is rich in a diverse set of oxygenated molecules.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"591 ","pages":"Article 115711"},"PeriodicalIF":4.9,"publicationDate":"2026-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145922432","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