ChemPlusChem最新文献_第5页

Electrocatalytic HER Activity by Mono Terpyridyl Copper Complex in Homogeneous Aqueous Medium and After Immobilization on Electrode Surface Through Graphene Oxide 单三吡啶铜配合物在均相水介质中及经氧化石墨烯固定在电极表面后的电催化HER活性

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-19 DOI: 10.1002/cplu.70230

Md. Adnan Khan, Subhendu Naskar

{"title":"Electrocatalytic HER Activity by Mono Terpyridyl Copper Complex in Homogeneous Aqueous Medium and After Immobilization on Electrode Surface Through Graphene Oxide","authors":"Md. Adnan Khan, Subhendu Naskar","doi":"10.1002/cplu.70230","DOIUrl":"https://doi.org/10.1002/cplu.70230","url":null,"abstract":"The present work describes electrochemical proton reduction by a mononuclear Cu(II) complex of formula [CuL] (where L = 4′-(4-fluorophenyl)-2,2′:6′,2″-terpyridine). Single crystal X ray diffraction exhibited the CuN3O2 core structure of the metal complex with a hydroxide and a perchlorate ancillary ligand connected to the copper center forming a square pyramidal geometry. The complex exudes a moderately high TONHER/TOFHER of 22 and ~205 s−1 by peak current method with a moderate F.E of ~52%. The TONHER/TOFHER of the immobilized electrocatalysts on glassy carbon (GC) as (GO+1) [GO = Graphene oxide] and (GO + 1 + Nafion) was calculated to be 1.09 × 106/304 s−1 and 3.12 × 106/868 s−1 with a F.E of 86% and 93% respectively. A ligand-based electrochemical hydrogen evolution reaction (HER) was observed. The catalytic cycle was proposed after analyzing the intermediates through mass spectroscopy and density function theory. The heterogeneized electrocatalysts were drop casted on GC electrode using water and with or without Nafion. A overpotential of 407 mV and 514 mV at an onset potential of −0.55 V and −0.65 V versus normal hydrogen electrode (NHE) was observed for HER. Gas analysis was done after CPE at −1.6 V versus NHE for 3600 s through gas chromatography.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Tailoring Biowaste-Derived Activated Hydrochar With Multifunctionality Toward Antibiotic Adsorption, CO2 Capture, and Energy Storage 具有多种功能的生物废物衍生的活化碳氢化合物用于抗生素吸附，二氧化碳捕获和能量储存

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-19 DOI: 10.1002/cplu.70227

Şeyda Karadirek, Nergiz Kanmaz, Özlem Tuna, Hatice Hande Mert, Mehmet Selçuk Mert

{"title":"Tailoring Biowaste-Derived Activated Hydrochar With Multifunctionality Toward Antibiotic Adsorption, CO2 Capture, and Energy Storage","authors":"Şeyda Karadirek, Nergiz Kanmaz, Özlem Tuna, Hatice Hande Mert, Mehmet Selçuk Mert","doi":"10.1002/cplu.70227","DOIUrl":"https://doi.org/10.1002/cplu.70227","url":null,"abstract":"This work investigates the potential of hydrochar (HC) produced from date seeds (DS) as a multifunctional material. Two adsorbents were synthesized by the hydrothermal route: HC and phosphoric acid-activated hydrochar (AHC). Their performances were assessed for levofloxacin (Lvx) removal, CO2 uptake, and as stabilizers in palmitic acid (PA)-based composite phase change materials (PCMs). The maximum adsorption capacity of HC and AHC for Lvx was found to be 18.05 and 41.94 mg/g, respectively, at 25 °C and an initial concentration of 10 mg/L, due to the larger surface area, increased active sites, and lower binding energy, supported by Brunauer–Emmett–Teller analysis (BET), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS). Kinetic data were well described by Elovich and intraparticle diffusion models, while Langmuir and Temkin isotherms gave the best equilibrium fits. The adsorption showed a spontaneous and exothermic behavior. CO2 capture measurements demonstrated the superior efficiency of AHC (1.53 mmol/g) compared to HC (0.32 mmol/g). Both HC and AHC were utilized to obtain shape-stabilized PCMs, where PA/AHC exhibited higher latent heat storage and thermal stability relative to PA/HC. Overall, the findings highlight activated HC as a versatile material that can simultaneously address antibiotic pollution, CO2 mitigation, and energy storage challenges.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cplu.70227","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148784627","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Cobalt Oxide/Nickel Cobalt Sulfide/Poly(1,8-diaminonaphthalene) Electrochemical Sensor-Based Therapeutic Monitoring of Primaquine in Urine to Combat Low Treatment Adherence in Vivax Malaria Therapy 氧化钴/镍钴硫化/聚（1,8-二氨基萘）电化学传感器监测尿中伯氨喹对抗间日疟疾治疗依从性低的问题

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-19 DOI: 10.1002/cplu.70225

Faith Muthoni Wangui, Darko Kwabena Adu, John Alake, Malachie Monyele Tembo, Rajshekhar Karpoormath

{"title":"Cobalt Oxide/Nickel Cobalt Sulfide/Poly(1,8-diaminonaphthalene) Electrochemical Sensor-Based Therapeutic Monitoring of Primaquine in Urine to Combat Low Treatment Adherence in Vivax Malaria Therapy","authors":"Faith Muthoni Wangui, Darko Kwabena Adu, John Alake, Malachie Monyele Tembo, Rajshekhar Karpoormath","doi":"10.1002/cplu.70225","DOIUrl":"https://doi.org/10.1002/cplu.70225","url":null,"abstract":"Patients’ compliance with primaquine treatment is low due to the long 14-day duration of primaquine and the toxic side effects, including acute hemolytic anemia. This study aimed to develop a cobalt oxide/nickel cobalt sulfide/poly(1,8-diaminonaphthalene) (Co3O4@NiCo2S4@poly(1,8-DAN))-based electrochemical sensor for monitoring primaquine in urine to combat low adherence. The Co3O4@NiCo2S4@poly(1,8-DAN) nanocomposite was synthesized using hydrothermal and oxidative polymerization and characterized using high-resolution transmission electron microscopy (HRTEM), energy-dispersive X-ray spectroscopy (EDS), scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FTIR). Differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy were used to study the electrochemical properties of the nanocomposite. A 5 μL aliquot of Co3O4@NiCo2S4@poly(1,8-DAN) was drop-casted onto the glassy carbon electrode, and DPV was used to evaluate the electrochemical sensor’s performance. A linear calibration response was established over primaquine’s concentration range of 10–50 µM. The study found a detection limit of 2.51 nM with a linear concentration range of 10–50 µM. Real sample analysis in urine demonstrated recovery ranges of 98.3%–101.1%. This study reports, for the first time, the synthesis of the Co3O4@NiCo2S4@poly(1,8-DAN) ternary nanocomposite and its application for the detection of primaquine.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Mechanistic Insights Into the Formaldehyde Dehydrogenase-Catalyzed Reduction of Formate: A Quantum Chemical Study 甲醛脱氢酶催化甲酸还原的机理：量子化学研究

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-19 DOI: 10.1002/cplu.70231

Baoyan Liu, Yingying Jiang, Hao Su, Xiang Sheng

{"title":"Mechanistic Insights Into the Formaldehyde Dehydrogenase-Catalyzed Reduction of Formate: A Quantum Chemical Study","authors":"Baoyan Liu, Yingying Jiang, Hao Su, Xiang Sheng","doi":"10.1002/cplu.70231","DOIUrl":"https://doi.org/10.1002/cplu.70231","url":null,"abstract":"The multienzyme cascade conversion of CO2 to methanol is a promising route for sustainable chemical synthesis, yet the reduction of formate to formaldehyde remains its major bottleneck. Here, we use quantum chemical calculations to elucidate the catalytic mechanism of formaldehyde dehydrogenase from Burkholderia multivorans (BmFaldDH). The lowest-energy pathway initiates with formate activation via a proton-relay network involving His52, Ser49, and the NADH ribose, followed by a concerted yet asynchronous proton-hydride transfer to yield methanediol with a barrier of 16.0 kcal mol−1. Interestingly, calculations show that subsequent dehydration of methanediol to formaldehyde is more favorable in solution than within the active site, with barriers of 16.2 and 24.0 kcal mol−1, respectively. This lower barrier in solution is mediated by a water-cluster model in which three water molecules facilitate proton relay, and two stabilize the methanediol. Furthermore, binding energy calculations indicate that methanediol has a relatively weak binding affinity for BmFaldDH, suggesting that it readily dissociates into solution. Overall, this study demonstrates that the limited efficiency of BmFaldDH in catalyzing formate reduction stems from its incompetence to catalyze methanediol dehydration within its active pocket. These findings provide a mechanistic insight for engineering efficient enzymes for the formate-to-formaldehyde conversion.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148784626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Study of Ni and Pt Cocatalysts in Photocatalytic Hydrogen Evolution for InP-Based Quantum Dots 镍和铂辅助催化剂在inp基量子点光催化析氢中的研究

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-17 DOI: 10.1002/cplu.70219

Shijia Zeng, Liuhao Mao, Wenjiang Tan, JinWen Shi, Huajin Sun, Jie Liu, Zhu Cao

{"title":"Study of Ni and Pt Cocatalysts in Photocatalytic Hydrogen Evolution for InP-Based Quantum Dots","authors":"Shijia Zeng, Liuhao Mao, Wenjiang Tan, JinWen Shi, Huajin Sun, Jie Liu, Zhu Cao","doi":"10.1002/cplu.70219","DOIUrl":"https://doi.org/10.1002/cplu.70219","url":null,"abstract":"InP/ZnSe/ZnS core/shell/shell quantum dots (CSS-QDs) have already demonstrated considerable research potential in photocatalytic hydrogen evolution. To boost the photocatalytic hydrogen evolution activity of CSS-QDs, this work evaluated the impacts of Ni and Pt cocatalysts on catalytic performance, alongside their chemical behaviors under reaction conditions. Compared with pristine CSS-QDs, Ni and Pt cocatalysts boosted the catalytic activity by ∼4.5-fold and ∼51.2-fold, respectively, with Pt delivering a breakthrough activity enhancement. Systematic experiments revealed that Ni remained predominantly in ionic form during the reaction, while Pt existed in the form of elemental and oxide nanoparticles anchored on the CSS-QDs surface. The stronger interfacial interaction and faster electron transfer between Pt and CSS-QDs accounted for the superior catalytic performance. This work further highlights the application potential of InP-based QDs in photocatalytic hydrogen evolution, and provides both experimental evidence and theoretical guidance for the design and optimization of high-efficiency cadmium-free photocatalytic hydrogen evolution systems.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148784041","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Alkali and Alkaline Earth Metal Oxide-Modified Aluminosilicate and Zeolitic Ceramic Catalysts for Sustainable Biodiesel Production: A Review 碱和碱土金属氧化物改性硅酸铝和沸石陶瓷催化剂在可持续生物柴油生产中的研究进展

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-17 DOI: 10.1002/cplu.70211

Yatish Kalanakoppal Venkatesh, Shwetharani Ramu, Prashanth Gopala Krishna, Pramoda Kuppe

{"title":"Alkali and Alkaline Earth Metal Oxide-Modified Aluminosilicate and Zeolitic Ceramic Catalysts for Sustainable Biodiesel Production: A Review","authors":"Yatish Kalanakoppal Venkatesh, Shwetharani Ramu, Prashanth Gopala Krishna, Pramoda Kuppe","doi":"10.1002/cplu.70211","DOIUrl":"https://doi.org/10.1002/cplu.70211","url":null,"abstract":"The development of efficient and sustainable ceramic catalysts for biodiesel production has attracted considerable attention as a strategy to reduce fossil fuel dependence and environmental impacts. This review critically examines alkali- and alkaline earth metal oxide-modified silicate, aluminosilicate, and zeolitic ceramic materials as heterogeneous catalysts for transesterification and esterification of lipid feedstocks. Emphasis is placed on the relationships between catalyst structure, surface acidity/basicity, and catalytic performance. Incorporation of alkali (K+, Na+, Li+) and alkaline earth (Ca2+, Mg2+) metal ions into ceramic frameworks enhances active-site density, reactant adsorption, and reaction kinetics, enabling biodiesel yields exceeding 90%–99% under optimized conditions. The effects of framework topology, pore architecture, and surface area on mass transfer and catalyst accessibility are discussed, together with the roles of zeolites, clays, and mesoporous aluminosilicates in improving catalyst stability, reusability, and resistance to leaching. Current challenges, including catalyst deactivation, feedstock impurities, and scale-up limitations, are critically evaluated. Emerging strategies involving waste-derived ceramics, bifunctional catalysts, and process intensification are highlighted to guide the rational design of next-generation heterogeneous catalysts for sustainable biodiesel production.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148784040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Design and Characterization of Dual-Modal Fluorinated BODIPY Probes 双模态氟化BODIPY探针的设计与表征

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-13 DOI: 10.1002/cplu.70222

Nazeeha Ayaz, Marta Rosati, Marco Damoli, Johnny Camilo Perez Rosas, Andrea Pizzi, Pierangelo Metrangolo, Simonetta Orlandi, Marta Penconi, Marco Cavazzini, Francesca Baldelli Bombelli

{"title":"Design and Characterization of Dual-Modal Fluorinated BODIPY Probes","authors":"Nazeeha Ayaz, Marta Rosati, Marco Damoli, Johnny Camilo Perez Rosas, Andrea Pizzi, Pierangelo Metrangolo, Simonetta Orlandi, Marta Penconi, Marco Cavazzini, Francesca Baldelli Bombelli","doi":"10.1002/cplu.70222","DOIUrl":"https://doi.org/10.1002/cplu.70222","url":null,"abstract":"Multimodal imaging can improve the detection of molecular and pathophysiological changes by combining complementary readouts within a single probe. Here we report the synthesis and characterization of a fluorinated BODIPY dye (F54-BODIPY) designed as dual fluorescence/19F-MRI imaging agent. The molecular design replaces the native BF2 unit with multibranched perfluoro-tert-butoxy chains appended at the boron atom via BO hexyloxy linkages, providing 54 magnetically equivalent 19F nuclei per molecule. Additionally, 2,6-dimethylphenyl groups are introduced at 2,6-positions of F54-BODIPY, and (E)-4-methylstyryl residues at the 3,5-positions extend emission into the far-red region of visible spectrum. This probe was structurally characterized by NMR spectroscopy, and its photophysical properties were evaluated by UV–Vis absorption, fluorescence spectroscopy, and fluorescence quantum yield (Φf) measurements. Subsequently F54-BODIPY was encapsulated in poly(lactic-co-glycolic acid) (PLGA) nanoparticles (NPs) for dispersion in aqueous media. Co-encapsulation of a second fluorinated phase, namely perfluoro-15-crown-5 ether (PFCE), significantly modified fluorescence properties and introduced a second 19F-NMR signal, yielding a bimodal nanosystem with dual 19F-NMR signals and red fluorescence emission for combined fluorescence/19F-MRI bioimaging.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cplu.70222","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148753290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Photothermal Degradation of Pollutants Using a Ag@ZnNP/TiO2 Composite Ag@ZnNP/TiO2复合材料光热降解污染物的研究

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-13 DOI: 10.1002/cplu.70229

Brooke Lawrie, Geniece L. Hallett-Tapley, Erwan Bertin

{"title":"Photothermal Degradation of Pollutants Using a Ag@ZnNP/TiO2 Composite","authors":"Brooke Lawrie, Geniece L. Hallett-Tapley, Erwan Bertin","doi":"10.1002/cplu.70229","DOIUrl":"https://doi.org/10.1002/cplu.70229","url":null,"abstract":"The design of sustainable wastewater treatment strategies for recalcitrant pollutants, including per- and polyfluorinated alkyl substances (PFAS) and pesticides, remains a critical challenge. In this study, silver–zinc core–shell nanostructures (Ag@ZnNP), consisting of a zinc core and silver shell, were dispersed on TiO2 and investigated as photothermal materials for the degradation of perfluorooctanoic acid (PFOA) and fipronil. Ag@ZnNP nanoparticles (Ag@ZnNP) were synthesized via pulsed laser ablation in liquid of a zinc target in the presence of silver nitrate. By tuning silver nitrate concentration, materials with optical and photothermal properties comparable to pure silver nanoparticles were obtained while reducing the silver content. X-ray diffraction confirmed a crystalline silver shell and a zinc core, while atomic emission spectroscopy indicated a composition of 67% ± 4% Ag and 33% ± 4% Zn. The Ag@ZnNP/TiO2 composite exhibited PFOA degradation efficacy comparable to Ag/TiO2 via blue light-initiated photothermal sulfate radical formation, achieving 85% degradation after 7 h. The Ag@ZnNP/TiO2 composite achieved 88% fipronil removal within 1 h under blue light irradiation (455 mW cm−2) without sulfate radicals. These results demonstrate the potential of Ag@ZnNP/TiO2 as an efficient, lower-silver photothermal material for degrading persistent environmental contaminants.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cplu.70229","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148753484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

From Cages to Sheets: Computational Elucidation of Methylaluminoxane Structure and Reactivity 从笼到片：甲基铝氧烷结构和反应性的计算解析。

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-11 DOI: 10.1002/cplu.70220

Mikko Linnolahti, Perttu Hanhisalo, Aleksi Vähäkangas

{"title":"From Cages to Sheets: Computational Elucidation of Methylaluminoxane Structure and Reactivity","authors":"Mikko Linnolahti, Perttu Hanhisalo, Aleksi Vähäkangas","doi":"10.1002/cplu.70220","DOIUrl":"10.1002/cplu.70220","url":null,"abstract":"Methylaluminoxane (MAO) is the most widely used cocatalyst in single-site olefin polymerization, yet its molecular structures have decisively resisted characterization. Computational chemistry has played an indispensable role throughout the characterization efforts, from the earliest cage-based structural proposals inspired by tert-butylaluminoxane analogs through systematic hydrolysis-based modeling to the identification of two-dimensional sheet structures as the thermodynamically preferred motif. This review traces that computational journey, with particular attention to the methodological advances and failures that shaped it. The discovery that widely used density functional theory methods for MAO carry systematic errors for four-coordinate aluminum–oxygen environments, and that vibrational entropy rather than electronic energy is the decisive thermodynamic quantity in the experimentally relevant size domain, fundamentally redirected the field. The resulting ovalene-based sheet model for the dominant [(AlOMe)16(AlMe3)6Me]− anion is simultaneously consistent with electrospray ionization mass spectrometry, solid-state NMR, X-ray crystallography, and synchrotron pair distribution function data, and yields catalyst activation barriers in reasonable agreement with experiment. The structural foundation now established for the dominant anionic component of fresh MAO opens a realistic path toward understanding the full complexity of the MAO mixture and toward rational design of next-generation aluminum-based cocatalysts.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cplu.70220","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148710840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Synergistic Ni–MoO3 Redox Catalysis in MIL-101(Cr) for Efficient H2O2 Activation and Ultra-Deep Desulfurization Ni-MoO3协同氧化还原催化MIL-101（Cr）高效活化H2O2及超深度脱硫

IF 3.1 4区化学

ChemPlusChem Pub Date : 2026-08-11 DOI: 10.1002/cplu.70223

Huan V. Doan, Huong T. T. Tran, Duyen T. Le, Xuan N. Pham

{"title":"Synergistic Ni–MoO3 Redox Catalysis in MIL-101(Cr) for Efficient H2O2 Activation and Ultra-Deep Desulfurization","authors":"Huan V. Doan, Huong T. T. Tran, Duyen T. Le, Xuan N. Pham","doi":"10.1002/cplu.70223","DOIUrl":"10.1002/cplu.70223","url":null,"abstract":"In this study, a novel Ni–MoO3@MIL-101(Cr) composite catalyst was synthesized via a one-step hydrothermal method for the oxidative desulfurization (ODS) of dibenzothiophene (DBT). The catalyst combines the high specific surface area of MIL-101(Cr) with the redox properties of Ni–MoO3, providing an effective synergy between adsorption and catalytic oxidation. The incorporation of Ni as a promoter significantly enhances catalytic activity, enabling complete sulfur removal (∼100%) under mild conditions (50 °C) within 60 min. Structural characterizations (scanning electron microscopy, X-ray diffraction, and SAED) reveal that the catalyst retains its nanosheet–nanorod morphology and crystalline MoO3 phase after repeated use, with only a slight decrease in the crystallinity of the MIL-101(Cr) framework. Mechanistic analyses using X-ray photoelectron spectroscopy, Raman, and temperature-programmed reduction demonstrate that surface oxygen vacancies and Lewis acid sites promote ODS activity, while highly dispersed Ni–MoO3 species facilitate H2O2 activation and Mo6+/Mo5+ redox cycling, leading to efficient generation of reactive oxygen species. The catalyst also exhibits excellent stability, maintaining 98.7% DBT conversion after five cycles. These results demonstrate that the strong Ni–Mo synergistic effect and efficient oxygen activation make Ni–MoO3@MIL-101(Cr) a robust and highly efficient catalyst for deep fuel desulfurization.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"91 8","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148710854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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