MOLECULES
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2026
·Vol. 31
·期 15
·2595
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IF 5.1
Jie Chen,Ying Zhou,Yishao Wang,Fujing Huang,Fangming Zou,Shunmei He,Xianwen Song
Small-molecule blending is an effective strategy for improving the mechanical properties of poly(vinyl alcohol) (PVA). However, the influence of structural differences among phenolics on the toughening mechanism remains unclear. In this study, we systematically investigated the reinforcing effects of three trihydroxy-phenolics (apigenin, galangin, and baicalein) on PVA hydrogels by combining molecular simulations with experimental validation. Molecular simulations predicted that H-bonding crosslinking between phenolics and PVA chains is the central reinforcement mechanism, and that the spatial arrangement of hydroxyl groups and the competition between intermolecular H-bonding ultimately determine the performance. Structural characterization and experimental validation showed that apigenin, owing to the dispersed spatial distribution of its three hydroxyl groups, exhibits stronger H-bonding crosslinking ability and achieves the most significant reinforcement. After a single freeze–thaw cycle, all trihydroxy-phenolics/PVA composite hydrogels exhibited markedly better mechanical properties than pure PVA hydrogels, with the following strength order: apigenin/PVA > galangin/PVA ≈ baicalein/PVA. This study provides a rapid and efficient theoretical model and a reference case for small-molecule toughened PVA hydrogels.
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CHINESE JOURNAL OF CATALYSIS
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2026
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IF 17.2
Yiwei Zhao,Zuhang Jin,Cheng Tao,Rui Du,Yongzheng Shi,Chao Zhang
The synthesis of KA oil (a cyclohexanone-cyclohexanol mixture) from guaiacol through mild electrocatalytic approach represents a sustainable strategy for biomass valorization. Herein, we report the electrocatalytic conversion of guaiacol to KA oil over the reduced Pt/TiO 2 catalysts. The TiO 2 -induced hydrogen spillover effect facilitates strategic modulation of H ads (H*) coverage on Pt surfaces, thereby effectively suppressing competitive aromatic ring hydrogenation and excessive hydrogen evolution reactions. Comparative studies of electrocatalysis and thermocatalysis have demonstrated that Pt active sites serve as the dominant catalytic centers. However, H spillover significantly influences reactivity and selectivity, particularly in the electrocatalytic pathways. The electrocatalytic system demonstrates preferential C–O bond cleavage with KA oil selectivity around 70%. This work provides valuable insights into the regulation of metal-support interactions in the design of electrocatalysts.
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MICROCHEMICAL JOURNAL
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2026
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IF 5.2
Yi-Feng Lu,Li-Na Zhu,Yi-Lin Zhao,Xin Wang
In this work, a binder-free, self-supported Ni–In₂O₃ heterostructured electrode was constructed on three-dimensional Cu foam for the non-enzymatic electrochemical detection of H₂O₂ under near-neutral conditions. In₂O₃ was conformally grown on Cu foam through a solvothermal process followed by calcination, and Ni species were then introduced by electrodeposition to form a Ni-containing/In₂O₃ composite coating with close interfacial contact and a hierarchically rough surface. Owing to its reduced charge-transfer resistance and enlarged electrochemically accessible surface, the Ni–In₂O₃/Cu foam electrode exhibited a sensitive amperometric response toward H₂O₂ reduction in 0.1 M PBS (pH 7.4) at −0.60 V vs. SCE. Two linear ranges were obtained, from 0.6 μM to 1.759 mM and from 2.059 to 9.059 mM, with corresponding sensitivities of 18.492 and 9.799 μA·mM −1 ·cm −2 , respectively, and a detection limit of 0.228 μM (S/N = 3). The sensor also exhibited good anti-interference performance, acceptable repeatability and reproducibility, and stable performance over 25 days. In standard-addition analyses of milk, tap water, and fetal bovine serum, recoveries ranged from 99.3% to 104.7%, with low RSD values (0.07%–3.25%), and Student's t -test revealed no significant difference between the measured and nominal concentrations ( p > 0.05). Moreover, cytocompatibility evaluation and in situ monitoring of H₂O₂ released from PMA-stimulated cells demonstrated its potential applicability in cell-related redox analysis. These results demonstrate that the proposed Ni–In₂O₃/Cu foam electrode is a promising platform for sensitive, reliable, and practical H₂O₂ sensing under near-neutral conditions.
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Journal of the American Chemical Society
·
2026
·
IF 16.6
Mimi Wu,Junzhong Xie,Guangyou Huo,Xiaolin Yu,Xueqin Yang,Yi Xing,Wei Su,Yang Zheng,Yuechang Wei,Maofa Ge,Ding Ma
Precise engineering of the metal–support interaction (MSI) is paramount for manipulating the geometric and electronic structures of supported metal catalysts, yet tailoring the local anchoring microenvironment at the atomic level remains a challenge. This study demonstrates how modulating the hydroxyl chemistry on CeO2 can direct the MSI to stabilize distinct Pd species─from single atoms to subnanometric PdOx ensembles. We show that conventional terminal hydroxyl groups on CeO2 favor the anchoring of Pd single atoms, whereas engineered bridging hydroxyl nests effectively confine undercoordinated PdOx clusters. This PdOx ensemble results in a moderate 4d orbital occupancy of Pd sites, which optimizes the σ-electron-acceptance and back-donation processes critical for C–H bond activation. Consequently, the PdOx ensemble catalyst achieves a dramatic decrease in methane combustion temperatures (T50 and T90 values are 340 and 402 °C, lowered by 175 and 226 °C, respectively) compared to the single-atom counterpart, alongside exceptional stability and water resistance under practical conditions. This work establishes the engineering of the support’s hydroxyl microenvironment as a powerful strategy for designing highly efficient metal ensemble catalysts.
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JOURNAL OF ALLOYS AND COMPOUNDS
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2026
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IF 6.7
Song Wu,Yongfeng Xia,Ming Zhu,Jun Zhao,Dongxu Yao,Yu-Ping Zeng
Machinable Si 3 N 4 ceramics containing 10 vol% h-BN and crystalline ytterbium silicate secondary phases were prepared. • Heat treatment promoted the crystallization of ytterbium-containing secondary phases into ytterbium silicates. • Crystallization was accompanied by the development of compressive residual stress. • 10 vol% h-BN with crystalline ytterbium silicate phases achieved drilling performance comparable to conventional 20 vol% h-BN. Traditionally, the machinability of Si 3 N 4 ceramics has mainly been improved by introducing individual weak-interface phases, while the role of grain-boundary phases was often neglected. In this study, Si 3 N 4 ceramics were fabricated by hot-press sintering with heat treatment using Yb 2 O 3 and SiO 2 as sintering additives. The crystalline ytterbium silicate secondary phases formed in situ during heat treatment, together with the addition of a small amount of h-BN, introduced weak-interface-forming regions into the Si 3 N 4 microstructure and contributed to improved machinability. The effects of sintering additive ratio, h-BN content, and heat-treatment temperature on mechanical and machinable properties were systematically investigated. The results demonstrated that Si 3 N 4 ceramics containing only 10 vol% h-BN could be readily machined using conventional cemented carbide drills while maintaining high strength, with a bending strength of 660 MPa, fracture toughness of 6.9 MPa·m 1/2 , Young’s modulus of 263 GPa, and Vicker’s hardness of 9.3 GPa (under 10 N).
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Materials Today Chemistry
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2026
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IF 7.4
Mengjiao Zhao,Xianjie Xu,Sheng Huang,Xiuquan Gu,Wufan Xuan
The CsCu 2 I 3 /ZnO-heterojunction-based sensor enables H 2 S detection with a response value of 0.83 at 1 ppm, with response and recovery times of 240 s and 834 s. • The CsCu 2 I 3 /ZnO heterojunction improves structural stability and ensures continuous and stable sensor response. • The CsCu 2 I 3 /ZnO-heterojunction-based sensor achieves self‐calibration for different H 2 S concentrations with 99% detection accuracy. Hydrogen sulfide (H 2 S), a colorless and toxic gas, poses serious health risks upon prolonged exposure, including damage to respiratory and cardiovascular systems, which can be fatal in severe cases. Current H 2 S sensors suffer from limited response, particularly in detecting ultra‐low concentrations. To overcome this limitation, we developed a CsCu 2 I 3 /ZnO heterojunction‐based gas sensor via vacuum evaporation. This composite material enables highly responsive H 2 S detection at room temperature. The heterojunction not only improves structural stability but also ensures continuous and stable sensor response. At 1 ppm H 2 S, the sensor exhibits a sensitivity of 0.72, the response value of 0.83, the limit of detection (LOD) of 14.25 ppb, with response and recovery times of 240 s and 834 s, respectively. Furthermore, an intelligent calibration framework was developed by integrating Gramian Angular Summation Fields with the AlexNet algorithm, operating as a robustness enhancer. The sensor achieves self‐calibration for different H 2 S concentrations with 99.33% detection accuracy through 5-Fold Cross-Validation, significantly enhancing quantification capability. These results demonstrate the excellent potential of our CsCu 2 I 3 /ZnO-heterojunction-based sensor in H 2 S monitoring. The combination of responsive materials with machine learning offers a robust strategy for advancing ultra‐low concentration gas detection technologies.
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Small Methods
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2026
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IF 8.7
Xiaochen Feng,Zihao Huang,Mingwei Fang,Meiling Wang,Jinyue Ma,Zewen Wang,Ying Zhu,Lei Jiang
Electrochemical CO 2 reduction (CO 2 RR) to ethanol offers a sustainable route for carbon utilization and energy storage, yet achieving high ethanol selectivity under limited CO 2 availability remains a significant challenge. The central issue is the lack of quantitative understanding of how the interfacial * CO and * H intermediates jointly govern product selectivity. Here, we establish an interfacial coverage regulation strategy by embedding Cu nanoparticles into an imine-functionalized covalent organic framework (Cu/Im-COF). The imine-rich interface enriches CO 2 adsorption while modulating proton transfer, enabling a balanced surface coverage of * CO and * H, identified as the key selectivity descriptor ( θ *CO/*H ) for ethanol formation. Operando Raman spectroscopy, density functional theory calculations, confirms that an optimized θ *CO/*H stabilizes the * HCCHOH intermediate and lowers its formation barrier. Quantitative integration of Raman features allows direct determination of θ *CO/*H , revealing a volcano-type dependence of ethanol selectivity on this descriptor. A maximum ethanol Faradaic efficiency of 56% is achieved at log( θ *CO/*H ) ≈ 3.0, a current density of 700 mA cm − 2 , and a 15% CO 2 feed. This work establishes θ *CO/*H as a quantitative bridge between intermediate coverage and reaction kinetics, providing a mechanistic framework for rational design of CO 2 RR catalysts with high ethanol selectivity under CO 2 -constrained conditions.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2026
·
IF 9.6
Yuhui Lv,Xinyu Gao,Binghui Guo,Xinyi Li,Chenhui Sun,Suhang Wang,Rongshi Jing,Jiaxin Chen,Liying Pu,Min Zhang,Yanyan Liu,Gang Wang,Yucheng Ren,Tiantian Gu
Organic materials have attracted considerable attention in rechargeable aqueous zinc-ion batteries (AZIBs) due to their sustainability and structural tunability. However, the electrochemical performance of existing organic electrodes is severely constrained by limited redox-active sites, high solubility and short conjugated backbones. Herein, a conjugated N-heterocyclic anhydride-based framework, benzoquinone-fused dianhydride (NTBQ), was constructed via solid-state condensation to enable highly reversible Zn 2+ /H + storage. The strategic integration of C=O groups triggers intramolecular electrostatic potential reconstruction and activates adjacent C=N sites, enabling fast and thermodynamically spontaneous multi-electron Zn 2+ /H + co-insertion. The rational structural design endows the NTBQ cathode with a remarkable initial discharge specific capacity of 434.6 mAh g −1 at 0.05 A g −1 and excellent rate capability. Moreover, the extended π-electron delocalization significantly strengthens intermolecular π-π interactions, enhancing the dissolution resistance of NTBQ in aqueous electrolytes and affording long-lasting cycling durability (88.1% retention after 10,000 cycles at 10 A g −1 ). Systematic mechanistic studies demonstrate that the superior electrochemical performance originates from the synergistic redox chemistry of C=O/C=N dual-active centers within the anhydride-based skeleton. These findings demonstrate that intramolecular electronic modulation can effectively evoke multi-electron redox activity, providing an effective avenue for designing high-performance organic cathodes toward advanced AZIBs. Structural optimization from NTPH to NTBQ via incorporation of additional C O groups induces intramolecular electrostatic potential redistribution, enhancing π-electron delocalization and activating adjacent C N sites. This creates synergistic C O/C N dual-redox centers for efficient multi-electron Zn 2+ /H + co-insertion. Download: Download high-res image (130KB) Download: Download full-size image
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CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Xiaohua Wang,Yanwei Li,Guang Sun,Jianliang Cao,Yan Wang
The pressing demand for environmental and health safeguarding has spurred intense enthusiasm among researchers to delve into metal oxide semiconductors (MOSs) based gas sensors. Particularly, the accurate detection of trace hydrogen sulfide (H₂S), which has drawn growing attention, has become a focal point. Herein, a molybdenum (Mo) doping strategy was presented to enhance the H₂S-sensitive properties of In₂O₃ nanomaterials to detect the presence of 1 ppm H₂S at comparatively lower temperatures. The Mo-doped In₂O₃ cubic nanoparticles (Mo-In₂O₃ CNPs) were synthesized through a hydrothermal route using In(OH) 3 as a precursor. When used as a sensitive material for the detection of H₂S, the Mo–In₂O₃ CNPs have shown some impressive improvements compared to pure In₂O₃ counterparts, including a reduction in working temperature (240 °C vs 300 °C), an increase in sensitivity (18.46 vs 11.34 for 20 ppm H₂S), a better selectivity (6.2 vs 2.84 times to ethanol), and a lower limit of detection (0.79 vs 0.47 ppm). Even to 1 ppm H₂S, the Mo-In₂O₃ sensor can give a response of 2.18, signifying its application feasibility in detecting trace amounts of H₂S. The multiple sensitization effects and their potential mechanism of Mo-In₂O₃ CNPs were discussed in detail.
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JOURNAL OF CATALYSIS
·
2026
·
IF 6
Xiangwei Ren,Yue Zhang,Shuzhen Lyu,Li Wang,Ruichen Liu,Guozhu Liu,Rongrong Zhang
Oxidation of methylene compounds remains a critical challenge due to the difficult activation of C–H bond. Herein, Ce–Al composite oxide was prepared and employed for oxidation of 2-alkyl-anthrone and anthracene to corresponding anthraquinone (AQ) which is used widely in the H 2 O 2 production by the anthraquinone process and fine chemical industries, with air at mild conditions. Characterization results show that incorporation of Ce, existing partially in CeAlO 3 phase, results in the generation of oxygen vacancies and enhancement of reducibility. The optimal Ce–Al composite oxide (10%CeAl) exhibits superior performance in oxidation of 2-alkyl-anthrone and anthracene to AQ. The conversion of 100% could be achieved for 2-alkyl-anthrone to AQ at reaction time of 8 h and for 2-alkyl-anthracene to AQ at 15 h over 10%CeAl, with 100% selectivity. In-situ electron paramagnetic resonance measurements and DFT calculations reveal that the Ce–O–Al structure in CeAlO 3 phase promotes the formation of carbon-centered radical R • through altering the C–H cleavage mechanism from hydrogen atom transfer to proton-coupled electron transfer (PCET), and superoxide anion radicals (O 2 •− ) formed on oxygen vacancies promote oxidation of R • .
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JOURNAL OF ENVIRONMENTAL MANAGEMENT
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2026
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IF 9.2
Jia Yuan,Chunyu Wang,Xinrui Yuan,Xin Wang,Xu Gao,Yuxuan He
Due to the excessive chemical-energy consumption, conventional treatments ( e.g. Fenton or catalytic ozonation) have faced great challenges when treating chemical wastewater containing tetrabromobisphenol S (TBBPS), a prevalent brominated flame retardant. This study proposes an electrocatalytic active atomic hydrogen (H*)-mediated electroreduction strategy, enabling enhanced degradation of TBBPS into intermediates with lower toxicity and higher biodegradability. A palladium-modified electrocatalytic microfiltration membrane (EMM) was developed to efficiently generate H*, which played a dominant role in the reductive debromination of TBBPS. By conducting quenching experiments, it was found that free H* and adsorbed H* co-dominate the TBBPS removal process. Under optimized conditions, the EMM achieved nearly complete removal (∼100%) of TBBPS (100 mg L −1 ) within 60 min, with a low energy consumption of 9.53 kWh/m 3 . The degradation pathway of TBBPS was proposed on the results of calculations and LC-MS analysis, and the evidence demonstrated the lower toxicity of the degradation intermediates. These findings emphasize the prospects of H*-mediated electroreduction strategy as a green and environmentally friendly treatment for industrial wastewater treatment.
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TURKISH JOURNAL OF CHEMISTRY
·
2026
·Vol. 50
·期 3
·285-299
·
IF 2
LI JUANHONG,WANG SUQIN,LIU XIN,LIU FENG
A [H]-accelerated catalytic Fenton system was developed using Pd/UiO-66(Zr)-F4 as the catalyst. This system enabled the regeneration of Fe²⁺ and facilitated the continuous generation of both ·OH and 1O2 through [H]-mediated electron transfer at ambient temperature and pressure. Under the conditions of 0.2 g L−1 catalyst (Pd loading 0.516 wt%), 25 μM Fe2+, 60 mL min−1 H2 flow (as the [H] source), 20 mM H2O2, and pH 3, approximately 89% of carbamazepine (initial concentration 20 mg L−1) was degraded within 3 h using trace iron. However, the catalytic activity of Pd/UiO-66(Zr)-F4 gradually declined from 89% to 53% over six reaction cycles. This decrease was likely due to loss of specific surface area caused by microstructural degradation associated with hydrogen spillover effects.
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