CHEMICAL ENGINEERING SCIENCE
·
2026
·
IF 5.1
Yufeng Liu,Xiaofan Yang,Jinghua Hu,Junhao Liu,Peiwen Wu,Huifang Cheng,Huaming Li,Jixing Liu,Wenshuai Zhu
The hydroisomerization of isobutane is of considerable practical significance for the development of low-carbon and high-efficiency ethylene production technologies. However, conventional noble metal-solid superacid catalysts used for this reaction suffer from drawbacks including high cost and catalyst deactivation caused by the loss of halogen species and other active components. Herein, a series of highly dispersed W-Cu/Beta catalysts were designed and prepared via a facile ion-exchange method, and their catalytic performances toward isobutane hydroisomerization were systematically investigated. The results show that the introduction of WO x species effectively suppresses strong Brønsted acid sites of the Beta zeolite and modifies the Brønsted/Lewis acid balance of W-Cu/Beta catalysts. Although both Brønsted and Lewis acid site concentrations decrease with increasing W loading, Brønsted acidity is reduced to a greater extent, resulting in a lower Brønsted/Lewis acid site ratio. This acidity regulation is associated with suppression of undesired cracking reactions and improved selectivity toward n-butane. Under reaction conditions of 2 MPa, 380°C, and a weight hourly space velocity of 2.0 h ‒1 , the 5%W-Cu/Beta catalyst exhibits the best catalytic performance with isobutane conversion of 62.3% and n-butane yield of 32.4%. This enhanced catalytic behavior is attributed to optimized acidity and an appropriate distribution of catalytic active sites. Kinetic analyses indicate that WO x introduction alters the apparent kinetic behavior of the catalysts and is accompanied by an increase in apparent activation energy. The improved catalytic selectivity is correlated with changes in acidity distribution and suppression of cracking pathways rather than direct evidence of carbocation stabilization.
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ACS Catalysis
·
2026
·Vol. 16
·期 17
·16793-16808
·
IF 13.6
Wang Nan,Fan Guorui,Guo Junhao,Chen Yuqiu,Liu Sibao,Liu Guozhu
To address the challenge of mixed plastic waste management, we present a one-pot hydrodeoxygenation (HDO) process that selectively converts mixed oxygenated aromatic plastics including polyethylene terephthalate (PET), polycarbonate (PC), polyphenyl ether (PPO), and bisphenol-A-based epoxy resin (E20) into high-value cycloalkanes suitable as blendstocks for aviation fuel. Employing a cost-effective Ni−Re/SiO 2 bimetallic catalyst with metal loadings of 15.0 wt % Ni and 11.9 wt % Re, we achieve near-quantitative conversion (up to ca. 94% carbon yield) under mild reaction conditions (240 ° C, 4 MPa H 2 ) and at a high substrate loading of 11.4 wt %. The HDO reaction proceeds through the initial depolymerization of the polymers via acyl and alkyl C−O hydrogenolysis, followed by hydrogenation and deoxygenation. Mechanistic studies including systematic characterizations, control experiments with model compounds, in situ spectroscopy, and DFT calculations indicate that Ni−Re alloy serves as the active site for HDO, with electron-deficient metallic Ni facilitating hydrogen activation and aromatic ring hydrogenation, while oxophilic Re species promote the adsorption and cleavage of diverse C−O bonds. Furthermore, the upscaling potential of this catalytic process was evaluated by integrating laboratory-scale batch experiments with steady-state process simulation (Aspen Plus). Techno-economic analysis (TEA) and life cycle assessment (LCA) reveal that increasing the plastic feedstock concentrations from 4.5 wt % to 11.4 wt % significantly optimizes both economic and environmental performance: the minimum selling price (MSP) is reduced by 6.89% (from 1349 $/t to 1256 $/t), and the global warming potential (GWP) is lowered by 20.7% (from 3.05 to 2.42 kg CO 2 eq). This work provides a practical and non-noble-metal approach for chemically upcycling high concentrated mixed plastic waste, effectively bridging plastic waste valorization with aviation fuel production.
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ACS Omega
·
2026
·Vol. 11
·期 33
·50602-50615
·
IF 5.2
Zhang Zhefei,Zhu Qiangqiang,Wang Bin,Ren Honglin,Shang Chunliang,Tan Xinyi
The conversion of ethanol to 1,3-butadiene over MgO–SiO 2 -based catalysts has attracted significant interest. Nevertheless,
a precise understanding of the multistep reaction network and the
nature of the active sites remains elusive. We herein report a strategically
designed series of model catalysts with systematically varied Mg/Si
ratios─SiO 2 , 0.5MgO–SiO 2 , 4MgO–SiO 2 , and MgO─enabling the unambiguous identification of
active site structures. Through comprehensive characterization and
kinetic evaluation using distinct feedstocks (ethanol, acetaldehyde,
their mixtures, and crotyl alcohol), we decouple the complex reaction
pathway and establish quantitative structure–activity relationships
for each key step: dehydrogenation, aldol condensation, and dehydration.
The 4MgO–SiO 2 catalyst, comprising amorphous Mg 2 SiO 4 , possesses the highest density of basic sites
and delivers the superior activity for ethanol dehydrogenation to
acetaldehyde (0.087 μmol·g –1 ·s –1 ). In marked contrast, the 0.5MgO–SiO 2 catalyst, characterized by unique Si(OMg)(OH)(OSi) 2 and
Si(OMg)(OSi) 3 structures, exhibits the highest concentration
of acid sites. This specific acidic architecture drives exceptional
performance in both acetaldehyde condensation to crotonaldehyde (0.865
μmol·g –1 ·s –1 )
and crotyl alcohol dehydration to 1,3-butadiene (7.355 μmol·g –1 ·s –1 ). Interestingly, even
pure SiO 2 , with its distinct Si–OH acid sites, shows
notable dehydration activity (5.344 μmol·g –1 ·s –1 ), highlighting that both the acid site
identity and density collectively govern dehydration activity. This
work provides a novel mechanistic blueprint, demonstrating that ethanol-to-1,3-butadiene
conversion follows a precise site-demand sequence: dehydrogenation
is favored on strong bases, while condensation and dehydration are
accelerated on tailored acid sites. These insights offer a clear strategy
for the design of highly selective multifunctional catalysts for complex
cascade reactions.
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NEW JOURNAL OF CHEMISTRY
·
2025
·
IF 2.5
Yi Xiang,Zidan Mei,Lulu Zhou,Yue Li,Yongdong Chen
The hydrogenation of CO2 to light olefins is a promising method for CO2 resource utilization. Tandem catalysts composed of metal oxides and zeolites have been widely studied for the hydrogenation of CO2 to light olefins, but there are bottleneck problems in terms of CO2 conversion and light olefins yield. ZnO-ZrO2 catalyst is extensively employed in CO2 hydrogenation because of its excellent stability at high temperatures, but there is still a "seesaw" problem between the CO2 conversion and light olefins selectivity. In addition, the synergetic effect between Zn and Zr sites on the reaction process remains unclear. In this work, a series of ZnO-ZrO2 catalytic materials with various Zn: Zr ratios were synthesized by co-precipitation, and the interaction between Zn and Zr could be regulated by altering the Zn: Zr ratio. XRD and TEM results confirmed the successful synthesis of ZnO-ZrO2 composite oxide and the existence of a certain interaction between Zn and Zr. CO2-TPD, H2-TPR and XPS results indicated that the interaction between Zn and Zr could improve the hydrogenation capacity of the catalyst and also induce the generation of abundant oxygen vacancies to effectively promote the adsorption and activation of CO2. Catalytic performance results showed that ZnO-ZrO2(1:4)/SAPO-34 exhibits the best CO2 to light olefins activity with a CO2 conversion rate of 26.4% and a C2=-C4=selectivity of 72.6%. This work provides a feasible strategy for rational designing and optimizing of CO2 hydrogenation catalyst.
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CERAMICS INTERNATIONAL
·
2025
·
IF 5.6
Jing Chang,Xukun Yang,Yifan Li,Shuai Chen,Qinyin Xu,Yixin Zhang,Liwen Yan
Mullite fiber felt with outstanding thermal stability and excellent thermal insulation performance was widely used as a thermal protection material in the aerospace field. However, the poor mechanical property severely restricted the application of mullite fiber felt. Herein, the mullite fiber felt reinforced Al 2 O 3 -SiO 2 (MF/Al 2 O 3 -SiO 2 ) porous composites with lamellar matrix were fabricated by the sol impregnation combined with the freeze-drying method. Compared to the ambient-dried MF/Al 2 O 3 -SiO 2 composites, freeze-dried MF/Al 2 O 3 -SiO 2 composites with lamellar matrix possessed a lower density (0.32–0.86 g/cm 3 ), higher porosity (73.30–90.03 %) and lower thermal conductivity (0.12–0.22 W m −1 K −1 ). What’s more, due to the dense lamellar Al 2 O 3 -SiO 2 ceramic matrix, the compressive strength of freeze-dried MF/Al 2 O 3 -SiO 2 composites was nearly 4 times higher than that of ambient-dried MF/Al 2 O 3 -SiO 2 composites and up to 4.25 MPa. In addition, the thermal and mechanical properties of MF/Al 2 O 3 -SiO 2 composites were maintained well at 1400 °C. The improved thermal insulation and mechanical properties of MF/Al 2 O 3 -SiO 2 porous composites with lamellar matrix indicated that MF/Al 2 O 3 -SiO 2 porous composites could be a promising candidate as the high-temperature thermal protection material in the aerospace field.
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CRYSTAL GROWTH & DESIGN
·
2025
·
IF 3.4
Kaiwei Wang,Fumin Wang,Xubin Zhang,Yi Zhai,Mingshuai Sun,Yan Chen,Jiaxing Zhang,Yihao Wang,Hongyu Wang,Yang Qin,Hao Ruan,Xuyang Zou
The nanosheet MFI zeolite synthesized with a short b-axis length exhibits broad potential for industrial applications due to its ability to facilitate mass transfer through the large straight-through channel along the b-axis. The current focus of research lies in the regulation of the zeolite crystal anisotropic growth rate through the addition of specific additives to the precursor liquid. The range of available additives, however, is limited, and their effects as well as potential mechanisms are still poorly understood. The impact of incorporating ten mononitrogen compounds into the gel on crystal growth was investigated. The influence of the N-containing compounds (functional group, C/N ratio, electrostatic potential of N atoms, and compound concentration) and growth time on crystal size was analyzed. N,N-dimethylformamide (DMF) and N-methylformamide (NMF) were revealed as potential inducers of the nanosheet zeolite. Herein, the effect of DMF on the nonclassical growth of the nanosheet zeolite is unveiled within crystallization engineering. The effects of various synthetic parameters on the DMF-assisted synthesis of nanosheet zeolites were also investigated. It is revealed that DMF plays a role in accelerating crystal growth and in regulating anisotropic crystal growth. This strategy can be extended to the synthesis of different heteroatomic nanosheet zeolites (such as Al-MFI, Fe-MFI, and Ti-MFI), and it is suitable for different types of silicon and metal sources. This study presents a straightforward strategy for the systematic and precise design and synthesis of nanosheet MFI zeolites, which exhibits significant potential for industrial utilization.
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CHEMICAL ENGINEERING SCIENCE
·
2025
·
IF 4.3
Zehao Han,Jixiao Li,Hao Peng,Linlin Liu,Ying Xu,Ruijie Gao,Kang Xue,Xiaolei Guo,Xiangwen Zhang,Ji-Jun Zou,Lun Pan
To address hypersonic vehicle thermal management via endothermic dehydrogenation, this work studies methylcyclohexane (MCH) dehydrogenation kinetic over Pt/SiO 2 under supercritical conditions. Power-law modeling shows a near-zero MCH order, with hydrogen promoting cracking and isomerization. A Langmuir-Hinshelwood-Hougen-Watson (LHHW) model accurately describes dehydrogenation and cracking (R 2 > 0.95), identifying the first H 2 loss and surface reaction as their respective rate-determining steps, but fails for isomerization. An optimal hybrid LHHW/power-law model for dehydrogenation and side-reactions (R 2 = 0.97, MSE < 10 –5 ) is developed. CFD simulations using this kinetics reveal radial temperature gradients exceeding axial variations, intensifying at high wall temperatures. Cold spot position depends primarily on space velocity, while its temperature responds mainly to wall heating. This advances optimization strategies for catalytic reactors and thermal management.
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ENVIRONMENTAL RESEARCH
·
2025
·
IF 7.7
Fan Zhang,Yingxin Wu,Quanyun Ye,Jinxi Wang,Qiong Wu,Lingli Zhou,Wencheng Wu,Shuting Xie
Short-chain chlorinated paraffins (SCCPs) have raised global concerns owing to their toxicity and bioaccumulation as persistent organic pollutants. Although zerovalent iron (ZVI) is promising in SCCP dechlorinating, the selectivity mechanisms are scarcely investigated, which hinders the understandings on the environmental and toxicological profiles of the dechlorinated products. This study investigated the homolog- and site-selective dechlorination of C 12 -SCCPs through kinetic experiments and density functional theory (DFT) analysis. The dechlorination efficiency change with ZVI dosage (10–40 g L −1 ) was nonmonotonic, with the efficiency peaking at 20 g L −1 , possibly due to the higher Fe 2+ abundance on ZVI surface. The dechlorination priority followed C 12 Cl 10 > C 12 Cl 9 > C 12 Cl 8 > C 12 Cl 6 > C 12 Cl 7 > C 12 Cl 5 , which was driven by both SCCP adsorption and reactivity. The accumulation of C 12 Cl 7 as the dechlorinated products of C 12 Cl 8-10 led to the anomalous phenomenon of C 12 Cl 6 > C 12 Cl 7 . In particular, higher chlorinated homologs showed stronger affinity to ZVI; meanwhile, DFT calculations demonstrated that chlorine substitution patterns altered the molecular softness and steric accessibility. The enhanced reactivity of homologs with even chlorine numbers was explained by the symmetric lowest unoccupied molecular orbital (LUMO). Intramolecular crowding shifted the dechlorination hotspots from peripheral C(3)/C(10) to central C(6)/C(7) in C 12 Cl 9–10 , where the reduced steric hindrance maximized the reactivity. The number of chlorine atoms and the substitution positions jointly determined the LUMO distribution of SCCPs and the spatial effect to regulate their properties. Overall, these findings elucidate the molecular-scale determinants of SCCP dechlorination selectivity and provide a mechanistic framework for optimizing ZVI-based remediation.
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BIORESOURCE TECHNOLOGY
·
2025
·
IF 9
Xiao Liang,Menglei Li,Qingmao Yang,Chun Shen,Tianwei Tan
Production of biobased adipic acid through hydrogenation of cis,cis -muconic acid has received worldwide attention, but suffers from low efficiency and high cost caused by utilization of noble metal-based catalysts in organic solvent with low initial concentrations. Herein, we propose a new paradigm to produce biobased adipic acid by development and application of a Ni/Al 2 O 3 catalyst system in conjunction with a micropacked-bed reactor. Catalyst screening and effects of reaction conditions have been systematically investigated in a batch reactor, achieving 99.4 % yield using sodium muconate aqueous solution (170 g/L) as the substrate. Furthermore, 99.9 % yield is also obtained with only 110 s residence time and 100 g/L initial concentration. The space–time yield is as high as 21.0 mg/min/mL, which is 2–4 orders of magnitude higher than those of Pd (0.178 mg/min/ml) or Pt (0.0044 mg/min/ml) catalysts. This work may be constructive for efficient production of biobased chemicals in microreactors.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2026
·
IF 6.7
Caiyan Zhang,Fengxian Sui,Meiyan Liu,Yalin Xie,Jiadi Su,Jing Gao,Ye Lin,Yang Yang,Xiaoming Hou
Oleic acid (OA)-enriched diet significantly enhances CD36 expression and promotes milk fat production in the mammary gland. However, the mechanisms by which OA upregulates this process are unknown. Here, GC-MS analysis and molecular docking were used to assess OA-CD36 binding, while gene expression and ChIP assays clarified the OA-mediated regulation of CD36 and milk fat synthesis. The results showed that CD36 is highly expressed in the lactating mammary tissues of dairy cows and positively regulates milk fat production. OA enters dairy cow mammary epithelial cells via direct binding to CD36. OA stimulation elevates the CD36 expression and translocation. ChIP assays confirmed CD36 as a target gene of NRF2. OA also enhances NRF2 expression and nuclear translocation, which in turn upregulates CD36 expression and function. This study elucidates the NRF2–CD36 axis as a regulator of OA-driven milk fat synthesis in mammary tissue, offering practical value for dairy industry nutritional strategies.
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ACS Applied Materials & Interfaces
·
2026
·
IF 8.2
Yinning Lin,Shuting Li,Huiping Yang,Qian Mo,Siying Lyu,Haikun Luo,Fan Yang,Xinchun Li,Fan Xia
Chiral metal–organic framework (CMOF)-based porous membrane materials have attracted great interest in the enantioseparation community. Despite remarkable progress, it remains a challenge to obtain functional membranes with a tunable enantioselectivity. Herein, we report on a photoresponsive and enantioselective nanoporous membrane prepared by in situ growth of azobenzene (Azo)-functionalized UiO-66 (UiO-66-Azo) onto anodic aluminum oxide (AAO) membrane. Tethering β-cyclodextrin (β-CD) to UiO-66-Azo/AAO via host–guest interaction created an efficient chiral hybrid nanochannel membrane, UiO-66-Azo@β-CD/AAO. The azo-rendered UV–vis photoswitch function could facilely realize assembly and disassembly of enantio-binding units, β-CD, enabling the enantioseparation capacity to refresh and improve the enantiomeric gating efficiency, and importantly, making the chiral membrane reusable. We demonstrated the utility of the chiral membrane by separation of S/R-naproxen enantiomer, gaining excellent enantioseparation performance, with an enantiomeric excess (ee) of 81.5% for S/R-naproxen. Molecular dynamics simulations were in agreement with the experimental findings. This work provides a low-cost and easy-to-mass-produce chiral nanochannel membrane for enantiomeric separation applications.
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JOURNAL OF MEDICINAL CHEMISTRY
·
2026
·
IF 6.8
Zhipeng Zhang,Hongyan Lai,Shaofang Tian,Yingjie Song,Cunwuliji Na,Xiang Shi,Changhong He,Liuye Shi,Shengyun Wang,Fawad Ali,Fu Shu,Baoshun Zhang
Nonalcoholic steatohepatitis (NASH) is a chronic liver disease with a high global incidence rate, intricately linked to metabolic disorders. It is characterized by steatosis, inflammation, and hepatocyte ballooning. STAT1 is a transcription factor involved in metabolic regulation and progression of inflammatory responses. In this study, we have identified STAT1 as a novel therapeutic target for NASH. Using our established STAT1 inhibitor screening platform, we identified the compound ZDZ-553, which is characterized by a chromone skeleton, demonstrates potent inhibitory activity against STAT1, and exhibits a favorable safety profile. In the NASH mouse model experiment, ZDZ-553 significantly ameliorated liver steatosis and inflammatory responses. These findings collectively suggest that ZDZ-553 could be a promising candidate for treatment of NASH, highlighting the therapeutic potential of targeting STAT1.
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