JOURNAL OF CATALYSIS
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2024
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IF 6.5
Rong Shang,Yulong Li,Junjing Guo,Bang Gu,Feng Qiu,Qinghu Tang,Qiue Cao,Wenhao Fang
The defect chemistry of doped-ceria is vital but tangled for sustainable conversion of biomass resources. In this work, a group of Zr-doped CeO 2 solid solutions were prepared and the defect chemistry in CeZr x O y (0.02 ≤ x ≤ 5) catalyst was elucidated over the oxidative coupling of lignin-based aniline and benzyl alcohol. Varying the Zr molar fraction enabled to successfully adjust the defect sites of catalysts and further influence their catalytic performances. In addition, the optimal CeZr 1 O y catalyst exhibited a flexible temperature adaptability, wide substrate scope and superior reusability. Various characterizations, kinetic investigations, controlled experiments, DFT calculations and in situ DRIFT-IR technique were used to unravel the roles of Ce 3+ and oxygen defects and the reaction mechanism. It was disclosed that Zr-doped defects can obviously increase surface Ce 3+ cations, oxygen species (peroxide and superoxide anions) and oxygen vacancies. These coordinatively unsaturated sites were shown to play critical roles in absorbing and activating substrates hence can accelerate the formation rate of bio-based imines.
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JOURNAL OF MOLECULAR STRUCTURE
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2025
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IF 4.7
Wan-Yi Lan,De-Sheng Wei,Wang-Xin Duan,Xiao-Hong Li,Zhong Sun,Yu-Teng Zhang,Nan Lv,Hai-Hui Yu,Shuang-Bao Li
In current work, amino-functionalized zirconium-based tetrahedral cage (ZrT-1-NH 2 ) and anionic Keggin-type polyoxometalate {SiW 12 }, driven synergistically by electrostatic forces and hydrogen bonding interactions, ultimately self-assembled into an unusual porous crystalline ionic salt (denoted as ZrTNH 2 -SiW 12 ) with photocatalytic activity. When applied in the photocatalytic reduction of hexavalent chromium (Cr(VI)), the generated reactive superoxide radical anions (·O 2 - ) significantly enhance the reduction process, achieving nearly complete removal (>99 %) within 90 min. Experimental results demonstrate that The reduction efficiency of Cr(VI) almost reached 100 % within 90 min of illumination. Indeed, combining the cationic molecular cages with the anionic POMs to yield porous solids that exhibit multifunctional properties represents a promising avenue of research, and will promote collaborative development.
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Food Bioscience
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2025
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IF 5.9
Walaa Kobacy,Xiaomin Gong,Naglaa K.F. Elshamandy,Hamdy A. Zahran,Ahmed I. Osman,Ahmed K. Rashwan
The study explored the chemical, antimicrobial, and antioxidant properties of essential oils from garlic (GEO), parsley (PEO), and thyme (TEO) using GC-MS, ATR-FTIR, and DSC techniques, and examined the synergistic effects of their combination on antioxidant and antimicrobial properties. The oils' antimicrobial effectiveness against pathogens was also tested. GC-MS analysis revealed diverse chemical profiles. The garlic, thyme, and parsley mixture (GTP) showed the highest phenol content (533.05 milligrams of gallic acid equivalent per 100 grams of dry weight sample), flavonoids (284.16 milligrams of quercetin equivalent per 100 grams of dry weight sample), and antioxidant activity (94.14% DPPH scavenging). The oils demonstrated significant antimicrobial effects, particularly against gram-negative bacteria and molds, with the GTP mixture being highly effective against Aspergillus niger . The bioactive compounds and antimicrobial effects were ranked as GTP > GT > GP > TP > GEO > TEO > PEO. These findings suggest that combining these EOs enhances their bioactivity, positioning them as natural preservatives for food safety and shelf-life extension.
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APPLIED CATALYSIS B-ENVIRONMENTAL
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2025
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IF 21.1
Lifei Liu,Luyuan Zhang,Xiaorui Du,Pengfei Li,Ruonan Wang,Yang Deng,Xia An,Xu Wu
Photoreduction of CO 2 to alcohol offers a sustainable solution to the energy crisis. The unsatisfactory selectivity and activity are hindered by the poor adsorption of *CO and sluggish C-C coupling process kinetics. Herein, the dual-channel ligand-to-metal charge transfer (LMCT) pathways were constructed by coordinating an electron-donor Ferrocene (Fc) on Lewis acid L-Cu-MOF-74 to produce Fc-Cu-MOF-74, aiming to modulate the d-band center and electron density, as well as enhance the electron transfer efficiency. As catalyzed by Fc-Cu-MOF-74, the evolution rate of photoreduction of CO 2 to ethanol achieved 103.3 μmol∙g −1 ∙h −1 with a selectivity of 64.9 %, which is higher than that of Cu-MOF-74 and L-Cu-MOF-74. Photoelectrochemical studies reveal that the incorporation of the electron donor Fc on L-Cu-MOF-74 effectively accelerates the electron transfer efficiency, reduces the energy of the LMCT. In-situ FT-IR and theoretical calculations reveal that the chemisorption of *CO and subsequent C-C coupling process are accelerated on the Cu site of Fc-Cu-MOF-74, which exhibits appropriate Lewis acidity. This electron transfer strategy provides a new pathway for the construction of high-performance CO 2 reduction reaction photocatalysts.
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DALTON TRANSACTIONS
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2026
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IF 3.3
Ai Yang,Hong Cao,Jie Lyu,Wenbing Ding,Jiali Liao,Yuanyou Yang,Ning Liu,Feize Li
Metal-organic frameworks (MOFs) with structure diversity and functionality versatility have shown great potency in many fields. In this work, we proposed utilizing the good biocompatibility and photoactivity of bismuth to construct new MOFs with special potential in high-performance photocatalysis. A new bismuth-based MOF, Bi-MOF720-1, was successfully synthesized using bismuth nitrate pentahydrate as the metal source and 9,10-anthracenedicarboxylic acid (H2ADC) as the organic ligand. Single-crystal structure analysis revealed that Bi-MOF720-1 is a two-dimensional network and crystallizes in the space group of R, featuring Bi3+ ions in a distorted nine-coordinate geometry and exhibiting a hexagonal grid topology with the net symbol hcb and a point symbol of {6³}. Furthermore, the material exhibits high phase purity and can effectively remove Rhodamine B from aqueous solutions. Leveraging the synergistic effect of adsorption and photocatalysis, it achieves a degradation efficiency as high as 96.48% within 60 minutes, while also demonstrating strong adsorption capacity for various dyes. These results highlight its excellent dye removal performance and promising potential for application in organic pollutant treatment.
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CHEMICAL ENGINEERING JOURNAL
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2026
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IF 12.5
Jun Zhu,Jingjing Chen,Congcong Wang,Dehong Yu,Minghao Chao,Hanrong Yan,Ruqi Huang,Zhenxin Wang,Bin Pan,Fenglei Gao
Insufficient generation of reactive oxygen species and the highly active cholesterol metabolism of tumors are two major barriers limiting the efficacy of conventional ferroptosis-based cancer therapies. Here, we engineered a single-atom iron nanozyme (Fe-NC@TASIN-30@FA, abbreviated as FTF) to overcome ferroptosis resistance and sensitize tumors to apoptosis-coupled catalytic therapy by simultaneously delivering a distal cholesterol synthesis inhibitor and catalytically amplifying ROS production. FTF is constructed by loading a selective 7-dehydrocholesterol (7-DHC) synthesis inhibitor, TASIN-30, onto an iron single-atom nanozyme and further functionalizing it with folate-modified polyethylene glycol (SH-PEG-FA) to confer tumor-targeting capability. Notably, TASIN-30 is incorporated with a drug-loading rate of 22.5%, providing efficient payload delivery without compromising nanozyme activity. The iron active centers in FTF exhibit dual enzyme-mimetic activities. One of them is peroxidase-like activity that breaks down H 2 O 2 into hydroxyl radicals, and the other is glutathione peroxidase-like activity that catalyzes the oxidation of reduced glutathione to oxidized glutathione, thereby increasing intracellular ROS levels and consuming antioxidants to achieve a coordinated iron apoptosis effect. In addition, by inhibiting 7-DHC and cholesterol biosynthesis, FTF accelerates the consumption of excess intracellular cholesterol in tumor cells, disrupts the integrity of lipid rafts, and consequently suppresses tumor cell proliferation. In 143B tumor-bearing nude mice, FTF achieves an in vivo tumor inhibition rate of approximately 82.5%, while exhibiting a maximum tolerated dose of 7.5 mg/kg. Overall, this study proposes a new therapeutic strategy that integrates cholesterol metabolic interference with catalytic nanozyme therapy, providing a potent ferroptosis-apoptosis synergistic modality for tumors refractory to conventional treatments.
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CHEMICAL ENGINEERING JOURNAL
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2026
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IF 12.5
Chaoqi Han,Ming Chen,Wenwen Shi,Ruimin Ding,Junliang Zhang,Xi Yin
Water (H 2 O) management limitations within the cathode catalyst layer (CCL), particularly for precious-metal-free metal/nitrogen-doped carbon (M-N-C) catalysts, severely constrain the performance of anion-exchange membrane fuel cells (AEMFCs). To address this challenge, we implement precision pore-structure engineering at the catalyst-intrinsic level. Three hierarchically porous FeCo-N-C catalysts were synthesized, enabling the fabrication of CCLs with tailored pore architectures. The CCL prepared from the macroporous-open catalyst (o-CCL) exhibits an optimized pore structure, characterized by a restructured distribution of hydrophilic hierarchical pores along with a high porosity of 54.7% and a low tortuosity of 1.61. Simulations and experimental measurements collectively confirm that the optimized o-CCL achieves improved H 2 O distribution, enhanced gas-liquid flow velocity, and reduced oxygen (O 2 ) transport resistance. These structural advantages collectively lead to a notable improvement in AEMFC performance. The o-CCL, with an electrode area of 5 cm 2 , achieves peak power densities of 684 mW cm −2 in H 2 /air and 1153 mW cm −2 in H 2 /O 2 . This study demonstrates that pore-structure engineering at the catalyst particle level offers a viable strategy to alleviate the H 2 O-O 2 transport conflict in AEMFCs and improve overall cell performance.
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Surfaces and Interfaces
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2026
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IF 6
Mengxue Sun,Qing Sun,Jiawei Sheng
The development of efficient and stable catalysts for peroxymonosulfate (PMS) activation is essential for the removal of persistent pharmaceutical pollutants such as 5-fluorouracil (5-FU). In this work, a novel, economical, and facile one-step molten salt synthesis strategy is developed to simultaneously etch the MAX phase (Mo 2 TiAlC 2 ) and in-situ anchor multiple cobalt-active species, leading to the direct formation of multi-interfacial Co/Mo-carbide/oxide hybrids. By employing a CaCl 2 /CoCl 2 molten salt system at 800 °C—which acts as both etchant and reaction medium—selective delamination of Al layers is achieved to produce Mo 2 TiC 2 MXene nanosheets, while catalytically active phases (Mo 3 Co 3 C, Co, and Mo 2 C) are generated in situ. Comprehensive characterization confirms the successful construction of abundant heterogeneous interfaces among these phases. The unique multi-interfacial architecture synergistically enhances electron transfer and exposes numerous active sites, thereby enabling highly efficient PMS activation. As a result, the hybrid catalyst exhibits exceptional performance in degrading 5-FU, with high degradation efficiency and rapid reaction kinetics. Radical quenching tests and electron paramagnetic resonance (EPR) analyses reveal that both radical (SO 4 • − , •OH, O 2 • − ) and non-radical ( 1 O 2 ) pathways act synergistically in the degradation process. This study offers a green and efficient “forging” strategy for designing MXene-derived composites with tunable compositions and interfaces. It not only avoids the use of fluorides but also introduces CaCl 2 as a novel molten salt etchant, demonstrating great potential for advanced oxidation processes and other applications.
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Nature Communications
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2026
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IF 18.1
Qi Ming-Yu,Tan Chang-Long,Tang Zi-Rong,Conte Marco,Sun Yugang,Xu Yi-Jun
Direct photocatalytic conversion of methanol into high-value multi-carbon chemicals through precisely controlled C − C coupling represents an extremely appealing but challenging goal. Herein, we demonstrate the efficient photoredox-driven dehydrocoupling of methanol into divergent synthesis of ethylene glycol and glycolaldehyde concomitantly with H 2 production by structural regulation of atomically dispersed Ni species. We showcase distinctly different reaction pathway for divergent C − C coupling of methanol over two types of atomically dispersed Ni cocatalyst-decorated SiO quantum dots, namely those with single Ni atoms (Ni 1 -SiO/SiO 2 ) and Ni clusters (Ni n -CdS/SiO 2 ). The Ni 1 -CdS/SiO 2 generates ethylene glycol with 90% selectivity by a radical homo-coupling pathway, whereas the Ni n -CdS/SiO 2 achieves 96% selectivity towards glycolaldehyde by a radical addition-elimination pathway. This work not only offers a fascinating nonpetroleum route for the divergent C–C coupling synthesis of ethylene glycol and glycolaldehyde but also underscores the broad vista of modulating non-selective radicals toward selective transformation of methanol into multi-carbon products.
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ENVIRONMENTAL POLLUTION
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2026
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IF 7.2
Jianyi Wu,Lingxuan Li,Wuxia Bi,Xinlin Huang,Miao Chen,Wenqing Tu
The mobility of perfluoroalkyl substances (PFASs) at the soil–water interface in paddy soils directly influences their availability to crops. However, the mechanisms by which rice residue decomposition affects PFAS diffusion under different hydrological conditions remain unclear. To address this, this study investigated PFAS diffusion across overlying water (OW), pore water (PW), soil solution, soil microbe-adsorbed fractions, and other soil compartments in drainage and waterlogged soils during rice residue decomposition. The results revealed that PW ( β = 0.74) and OW ( β = 0.97) served as crucial sinks for PFAS diffusion in drainage and waterlogged soils, respectively. Mass distribution analysis indicated that residue input reduced the content of perfluorocarboxylic acids by 5.33% in PW and 6.67% in OW. In contrast, perfluorinated sulfonic acids increased by 18.43% in PW but decreased by 12.49% in OW. At the molecular level, aggregated boosted tree modeling identified cacodylic acid (36.3%–38.2%) and deoxycorticosterone 21-glucoside (56.2%–59.3%) as key regulators of PFAS distribution in drainage and waterlogged soils, respectively. These findings provide valuable insights into PFAS migration in paddy soils during residue decomposition and highlight the need to control PFASs under both drainage and waterlogged hydrological conditions.
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CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2026
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IF 3.5
Hongda Zhang,Jinyan Hu,Shuting Bao,Shichao Su,Weiyao Yang,Le Sang
Designing efficient catalysts and solvent system for the multiphase hydrogenation reaction is vital in continuous flow reactors. Herein, we prepare hydrophilic Pd/Al 2 O 3 and hydrophobic modified C 12 PA-Pd/Al 2 O 3 catalyst for nitrobenzene (NB) hydrogenation in micropacked bed reactors (μPBRs). By tuning the methanol-water volume ratio, reaction temperature, reaction pressure, liquid and gas superficial velocity, the NB conversion and aniline (AN) yield are optimized. The highest NB conversion of 97.1% and AN yield 95.6% are obtained in μPBRs with hydrophobic C 12 PA-Pd/Al 2 O 3 at the reaction temperature of 90 °C. The apparent kinetic model is developed in μPBRs with two types of catalysts, and activity energies of NB hydrogenation for Pd/Al 2 O 3 and C 12 PA-Pd/Al 2 O 3 are 7.944 kJ·mol -1 and 3.372 kJ·mol -1 , respectively. It indicates that the catalytic efficiency of C 12 PA-Pd/Al 2 O 3 is better than that of Pd/Al 2 O 3 in the methanol-water mixed solvent in μPBRs. The value of TOF for the hydrophobic modified C 12 PA-Pd/Al 2 O 3 catalyst is twice compared with the hydrophilic Pd/Al 2 O 3 catalyst. The value of STY for μPBRs is higher than that of stirred tank reactors (STRs) and fixed bed reactors (FBRs).
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Materials Today Advances
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2026
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IF 8
Youbin Li,Xin Li,Tengyue Liu,Chengzhe Yang,Qiang Gao,Lanfeng Huang
The failure of titanium implants in osteoporotic patients is frequently attributed to a disrupted microenvironment characterized by excessive oxidative stress and an imbalance between bone formation and resorption. To address this, we engineered a functionalized composite scaffold (Ti/Gel/ZM) by incorporating melatonin-loaded zeolitic imidazolate framework-8 (ZIF-8) nanoparticles into a gelatin methacryloyl (GelMA) hydrogel on a 3D-printed titanium alloy scaffold. This scaffold was designed to provide a pH-responsive release of zinc ions and melatonin, triggered by the acidic osteoporotic microenvironment. In vitro assays demonstrated that the scaffold effectively scavenged reactive oxygen species (ROS), thereby restoring mitochondrial membrane potential and rescuing the osteogenic differentiation capacity of bone marrow mesenchymal stem cells (BMSCs) via the upregulation of Runx2, ALP, BMP2 and COL1. Simultaneously, the composite scaffold significantly inhibited RANKL-induced osteoclastogenesis in RAW264.7 cells. In vivo evaluation in an ovariectomized rat model confirmed that the Ti/Gel/ZM scaffold promoted rapid osseointegration and trabecular bone regeneration, as evidenced by enhanced bone volume fraction (BV/TV) and trabecular thickness. These results suggest that the Ti/Gel/ZM composite scaffold is a promising candidate for improving the osseointegration of titanium alloy implants in osteoporotic bone.
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