APPLIED SURFACE SCIENCE
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2026
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IF 6.6
Shangpu Zhuang,Di Hao,Yilin lei,Jiahui Chu,Fan Xue,Tao Wei,Yuyu Sun,Zhuxiu Zhang,Ruiping Wei,Jihai Tang,Xu Qiao
MOF-templated strategy fabricates highly dispersed Cu x Ni 2-x /CeO 2 catalysts. • Cu 1.2 Ni 0.8 /CeO 2 achieves 100% BHMF yield under mild reaction conditions. • Cu-O V interfacial sites induce vertical adsorption for C=O selective activation. • Ni-promoted H spillover boosts hydrogenation efficiency. Efficient utilization of biomass is a cornerstone of green chemistry and sustainable development. 5-Hydroxymethylfurfural (5-HMF) constitutes a pivotal biomass-derived platform molecule which selective hydrogenation into 2,5-bis(hydroxymethyl)furan (BHMF) plays a crucial role in the development of bio-based materials and fine chemicals. Conventional monometallic catalysts, however, are often constrained by an intrinsic trade-off between activity and selectivity and tendencies toward particle sintering and deactivation. To address these challenges, a metal–organic-framework (MOF) precursor was employed in a self-sacrificial templating route to fabricate highly dispersed, oxygen vacancies-tunable, bimetallic Cu x Ni 2–x /CeO 2 catalysts. By integrating comprehensive physicochemical characterization with in-situ spectroscopies, a systematic investigation was conducted to examine the effects of the Cu/Ni ratio and oxygen vacancy (O V ) concentration on 5-HMF hydrogenation were systematically investigated to elucidate structure–activity relationships. The results demonstrate that the Cu 1.2 Ni 0.8 /CeO 2 catalyst achieves an optimal balance between O V and metal site distribution, enabling nearly complete 5-HMF conversion and exclusive selectivity toward BHMF. Interfacial synergy facilitates Ni-mediated H 2 dissociation and hydrogen spillover to Cu sites, while the O V selectively adsorbs and activates the carbonyl of HMF, suppressing furan-ring hydrogenation and other side reactions. Compared with prior reports, this work highlights the decisive roles of O V and bimetallic interfaces in promoting substrate-selective adsorption, active-hydrogen supply, and side-reaction suppression. This strategy advances the high-value conversion of biomass platform molecules and provides a conceptual foundation for the rational design of green catalysts. Download: Download high-res image (116KB) Download: Download full-size image
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ChemSusChem
·
2026
·Vol. 19
·期 3
·e202502450
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IF 5.9
Mengmeng Jin,Yaolei Zhao,Weiting Li,Tiantian Xu,Jiazuo Wei,Jingjun Liu
2,5-Bis(hydroxymethyl)furan (BHMF) is a promising intermediate for the synthesis of pharmaceuticals and crown ethers, whereas achieving a high reaction rate in the hydrogenation of 5-hydroxymethylfurfural (5-HMF) to form BHMF remains challenge. In this work, a series of Cu/CeO 2 –x catalysts ( x denotes H, Air, Ar) were synthesized by calcination under different atmospheres (10% H 2 /Ar, Air, Ar) and evaluated for the 5-HMF hydrogenation to BHMF. Cu/CeO 2 –Ar exhibited a superior reaction rate of 26.8 mmol·g cat −1 ·h −1 and BHMF yield of 99.1% under the condition (180°C, 5 h, 1 MPa H 2 ), significantly outperforming Cu/CeO 2 –H and Cu/CeO 2 –Air. The characterizations reveal that the calcination in the oxygen-deficient argon atmosphere led to high Cu dispersion and minimized Cu particle size in the Cu/CeO 2 –Ar. These properties resulted in the abundant Cu + –O V –Ce 3+ sites and increased Cu 0 number. In situ Fourier transform infrared spectroscopy analysis elucidates the distinct roles of these active sites. Cu + sites are responsible for perpendicular adsorption of the 5-HMF carbonyl group, and Cu 0 sites drive efficient H 2 dissociation. In contrast, the O V –Ce 3+ sites do not adsorb 5-HMF and H 2 . The close synergy between numerous Cu 0 sites and abundant Cu + sites in the Cu/CeO 2 –Ar accelerates the process of 5-HMF hydrogenation to BHMF. Graphical The oxygen-deficient argon atmosphere led to high dispersion and small particle size of Cu in Cu/CeO 2 –Ar. These properties resulted in the abundant Cu + sites for the adsorption of CO from 5-HMF and the numerous Cu 0 sites to efficiently dissociate H 2 , synergistically boosting catalytic reaction rate to 26.8 mmol·g cat -1 ·h -1 .
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ACS Sustainable Chemistry & Engineering
·
2026
·
IF 7.3
Ziyao Li,Nan Wang,Bo Li,Xuzhuo Sun,Jing Chen
The electrocatalytic conversion of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) holds significant research value and broad application potential. The catalyst, comprising cobalt nanoparticles (Co NPs) encapsulated within nitrogen-doped carbon nanotubes (NCNTs) grown in situ on carbon paper (Co@NCNT/CP), was successfully developed. The catalyst achieved paired electrocatalytic reactions for HMF oxidation coupled with 4-nitrophenol (4-NP) reduction. Both HMF and 4-NP exhibited conversion rates exceeding 99%. The FDCA yield and selectivity reached 97%, with a Faradaic efficiency of 99%. The 4-aminophenol (4-AP) yield and Faradaic efficiency were 98%. Mechanistic studies revealed that electrochemically generated Co3+ species serve as the primary active sites for HMF oxidation. Electron interactions between the NCNTs and encapsulated Co NPs further stabilize the cobalt valence state. The structure facilitates HMF adsorption on Co NP surfaces, primarily via the Eley–Rideal mechanism, promoting catalytic conversion under high HMF concentrations. The paired electrochemical system exhibited outstanding catalytic performance and faster reaction rates for synergistic HMF oxidation and 4-NP hydrogenation than for individual reactions.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2026
·
IF 9.1
Jiaxi Jin,Yuyang Xiao,Hao Lai,Ruixing Fu,Peilun Shen,Dianwen Liu,Xinyi Liang,Bo Peng
The efficient separation of chalcopyrite from sphalerite remains a significant challenge in flotation due to their similar surface properties. In this study, Trisodium 4-carboxy-5-mercapto-3-hydroxy-isothiazole (TCMHI) was introduced as a novel, eco-friendly, and selective organic depressant for sphalerite. Micro-flotation tests demonstrated that TCMHI (73 mg/L) could selectively depress sphalerite flotation (recovery <14%) at pH 7.0 while maintaining high chalcopyrite recovery (> 94%). Successful separation was achieved in artificially mixed mineral tests, yielding a concentrate with a Cu grade of 32.01% and a recovery of 96.65%. To validate its industrial applicability, bench-scale flotation tests were conducted on a real Cu Zn sulfide ore. The results showed that TCMHI achieved metallurgical performance comparable to the conventional depressant zinc sulfate (ZnSO 4 ), maintaining a copper recovery of 71.32% while effectively suppressing zinc recovery to 21.18% in the concentrate. Surface characterization techniques, including contact angle, zeta potential, and Atomic Force Microscopy (AFM), revealed that TCMHI preferentially adsorbs onto the sphalerite surface, forming a dense hydrophilic layer that hinders collector adsorption. X-ray Photoelectron Spectroscopy (XPS) and Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) analyses confirmed that TCMHI chemically adsorbs on sphalerite through the formation of stable Zn-TCMHI surface complexes. Density Functional Theory (DFT) calculations further elucidated the mechanism, showing that TCMHI forms a stable five-membered chelate ring with surface Zn atoms via its nitrogen and endocyclic sulfur atoms. Crucially, the adsorption energy of TCMHI on sphalerite (−209.76 kJ/mol) was found to be significantly more negative than that of the collector (−95.88 kJ/mol), explaining its superior depression performance. This work provides a promising reagent for the sustainable and efficient flotation separation of Cu Zn sulfide ores.
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CHEMICAL ENGINEERING SCIENCE
·
2026
·
IF 5.1
Qida Peng,Huihui Su,Jiannan Qin,Hao Cheng,Mingfu Li,Pingjun Zhang,Liqun Jiang
2,5-Furandicarboxylic acid (FDCA) is a promising renewable alternative to petroleum-derived terephthalic acid for the production of bio-based polyesters. However, achieving efficient thermocatalytic oxidation of 5-hydroxymethylfurfural (HMF) to FDCA under mild conditions remains challenging. Herein, we report a lignin-derived nitrogen-doped carbon-supported Co–Mn dual single-atom catalyst (CoMn/LNC) prepared by a chelation-pyrolysis method, which achieves a 99.9% FDCA yield with a productivity of 1542.0 μmol FDCA ·g cat −1 ·h −1 at 65 °C using air as the oxidant. Physicochemical characterizations indicate that an asymmetric CoN 3 –MnN 3 electronic configuration in CoMn/LNC serves as the key catalytic center, which lowers the reaction activation energy and promotes the formation of FDCA under mild condition. Combined density functional theory calculations and in situ DRIFTS reveal that the asymmetric coordination modulates the d-band center, enhances interfacial electron transfer, and promotes HMF adsorption and subsequent oxidation. Furthermore, the asymmetric configuration facilitates oxygen activation and shifts the rate-determining step from the oxidation of HMFCA to FFCA toward FDCA desorption. This work provides a feasible strategy for designing transition metal dual single-atom catalysts for HMF oxidation to FDCA.
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Defence Technology
·
2025
·
IF 5.9
Zhe Zhang,Zhuowei Sun,Haoming Zou,Xijuan Lv,Ziyang Guo,Shuai Zhao,Qinghai Shu
3-Nitro-1,2,4-triazol-5-one (NTO) is a typical high-energy, low-sensitivity explosive, and accurate concentration monitoring is critical for crystallization process control. In this study, a high-precision quantitative analytical model for NTO concentration in ethanol solutions was developed by integrating real-time ATR-FTIR spectroscopy with chemometric and machine learning techniques. Dynamic spectral data were obtained by designing multi-concentration gradient heating-cooling cycle experiments, abnormal samples were eliminated using the isolation forest algorithm, and the effects of various preprocessing methods on model performance were systematically evaluated. The results show that partial least squares regression (PLSR) exhibits superior generalization ability compared to other models. Vibrational bands corresponding to C=O and –NO 2 were identified as key predictors for concentration estimation. This work provides an efficient and reliable solution for real-time concentration monitoring during NTO crystallization and holds significant potential for process analytical applications in energetic material manufacturing.
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CHEMISTRY-A EUROPEAN JOURNAL
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2026
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IF 3.7
Biao Meng,Qing Xu,Xiaoling Liu,Qizhi Hu,Menglin Xie,Xiao Xu,Yu Zhou,Zhen Meng,Jun Wang
Catalytically converting 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) underpins renewable, bio -based plastics, yet designing metal-efficient catalysts remains challenging. Here, we combine alloy and support effects by anchoring AuPd alloy nanoparticles on 2D covalent organic frameworks (COFs). Rationalizing alloy composition and COF functionality yielded Au 67 Pd 33 /TTATP, which converted HMF → FDCA in water using atmospheric O 2 mild conditions, delivering >99% FDCA yield, stable reusability, a turnover number (TON) of ∼100 at HMF/metal = 100, increasing to 518 at 600 (86.4% yield). High performance stems from alloy-support synergy that (i) partitions function (Au: HMF dehydrogenation; Pd: O 2 activation) and (ii) matches adsorption-desorption (TTATP enriches HMF yet releases FDCA; alloy surfaces moderate HMF binding and avoid the strong FDCA adsorption of Pd alone), thereby enhancing metal atom efficiency. Graphical AuPd alloy nanoparticles were anchored on 2D covalent organic frameworks (COFs) to integrate alloy-support synergistic effects. The catalyst Au 67 Pd 33 /TTATP achieved >99% FDCA yield with the high metal utilization efficiency under mild conditions, owing to the synergy effect optimized reactant/product adsorption-desorption.
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PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
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2026
·
IF 7.8
Cheng Zeng,Zhichao Tan,Youcai Zhao,Tao Zhou
The electrochemical hydrogenation of 5-hydroxymethylfurfural (HMF) to 2,5-bis(hydroxymethyl)furan (BHMF) presents a sustainable strategy for biomass valorization, yet selectively upgrading HMF to BHMF with high conversion rate remains challenging. To address this issue, we introduced a computer-assisted framework integrating large language model (LLM), machine learning (ML) and Bayesian optimization to recommend optimal experimental conditions for the HMF-BHMF electrochemical system. We first utilized the multi-modal capacity of GPT-4o to automatically extract literature data via prompt engineering, forming a high-quality dataset comprising 248 experimental entries from 378 publications related to the HMF-BHMF conversion. This LLM-curated dataset was leveraged to train a deep neural network for predicting both conversion and selectivity in a multi-task learning setting. The trained model demonstrated strong predictive performance, achieving R² scores of 0.870 for conversion rate and 0.920 for selectivity. SHAP analysis revealed that electrochemical kinetics and electrode identity were the most influential factors governing conversion and selectivity respectively. Utilizing the machine learning model, Bayesian optimization identified optimized reaction conditions for balancing the trade-off between selectivity and conversion rate. Experimental validation of one such condition yielded 81.70% conversion and 52.08% selectivity, significantly outperforming experimental designs in literature. Our study offers a promising human–machine collaborative approach to accelerating experimental optimization, paving the way for more sustainable electrosynthetic pathways in biomass valorization.
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Energy Sources Part A-Recovery Utilization and Environmental Effects
·
2021
·
IF 3.447
Guolong Chen,Chao Zhang,Ke Jia,Yongjie Wang,Lijun Zhu
The preparation conditions of zeolite are the key factors affecting the adsorption performance of organic sulfur from natural gas. The influence of crystallization time, pH and Si/Al ratio of ZSM-5 zeolite preparation on the crystallinity, which is further related to the dimethyl sulfide adsorption performance in gas was explored for the first time. After conditional screening, the suitable conditions for organic sulfur adsorption are crystallization time of 36 h, Si/Al of 50, and pH as 13, and the breakthrough capacity of ZSM-5 is 8.23 mg/g. The Si/Al ratio has the greatest impact on the adsorption performance. With Si/Al ratio reduced from 200 to 50, the breakthrough time increased by 146%. The breakthrough time of ZSM-5 in methane is reduced by 12.5% compared with nitrogen. After the 5 cycles, the breakthrough time of the ZSM-5 decreases by less than 5%, indicating that the ZSM-5 can be reused for a long time in the natural gas purification industrial application process. This research provides research directions and guidance for the optimization of zeolite preparation conditions and the development of new organic sulfur adsorbents.
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ELECTROCHIMICA ACTA
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2014
·
IF 4.086
Jianfeng Yu,Youqin Lu,Cunguang Yuan,Jinsheng Zhao,Min Wang,Renmin Liu
Indole-5-carboxylic acid monomer was electropolymerized on carbon modified glass carbon (GC) electrode, followed by the covalent bonding with pyridine-2,4-diamine by using 1-ethyl-(3-(dimethyl-amino-propyl)carbodiimide (EDAC), N-hydroxysulfosuccinimide sodium salt (NHS) catalyst, and then was complexed with copper ions to obtain the composite (CuINPD/C). The morphology and the chemical composition of the CuINPD/C catalyst were analyzed by scanning electron microscopy and X-ray photoelectron spectroscopy, respectively. Electrochemical measurements such as cyclic voltammetry, rotating disk electrode, rotating ring-disk electrode and electrochemical impedance spectroscopy were applied to obtain the mechanisms of the oxygen reduction reaction (ORR). All electrochemical measurements demonstrate that CuINPD/C is a good catalyst with excellent stability due to copper ions doping and carbon modification, which play a key role in increasing the current density and enhancing the charge transfer kinetics. Moreover, the average electron transfer number is about 3.1, indicating the ORR of CuINPD/C may takes a coexisting pathway involving both the two-electron and four-electron transfers.
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GREEN CHEMISTRY
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2026
·
IF 9.2
Lin-Yu Jiao,Ze-Long Sun,Wen-Yu Luo,Ying-Ying Xu,Fei Wen,Yanfei Xu,Zhuo Li,Wei Zhao,Shanshan Liu,Mingyue Ding
Sustainable green energy has emerged as critically important topics, with catalytic valorization and utilization of biomass receiving considerable attentions in recent years. This study investigates the photocatalytic selective oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran (DFF) using sonochemically synthesized g-C3N4/Bi2MoO6 heterostructured catalyst. A series of composites with varying mass ratios were fabricated, with the 1:1 (w/w) g-C3N4/Bi2MoO6 demonstrating the optimal catalytic performance. Systematic investigations were conducted to elucidate the effects of reaction conditions including irradiation wavelength, solvent polarity, reaction atmosphere, and substrate concentration on photocatalytic efficiency. The system achieved exceptional DFF selectivity of 90.8% with 92.2% HMF conversion under very mild conditions (air atmosphere and 10 W blue LED, 455 nm) with the generation of H2O2 as co-product, demonstrated the extremely high catalytic activity of the catalyst. The catalyst exhibited remarkable stability, as confirmed by recycling tests and post-reaction X-ray diffraction (XRD) characterization. Mechanistic studies through radical quenching experiments and electron paramagnetic resonance (EPR) spectroscopy identified superoxide radicals (·O2−) and photogenerated holes (h+) as the dominant reactive species, propose a dual-pathway oxidation mechanism. In this study, the S-scheme heterojunction charge transfer mechanism was comprehensively validated through systematic characterization and theoretical calculations, highlighting the pivotal role of S-scheme heterojunctions in selective oxidation reactions.
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JOURNAL OF HAZARDOUS MATERIALS
·
2026
·
IF 11.3
Shuo Wang,Xinjie Gu,Xilin Geng,Ziyi Zhao,Lili Tian,Xiaolin Du,Yaran Song,Ningyi Chen,Keju Sun,Qingrui Zhang
Reducing heavy metals to trace levels in actual complex industrial wastewater remains a major challenge due to high salinity, organic interferences, and multi-metal competition. Ionic liquids (ILs) are promising for metal remediation but suffer from limited active site accessibility and slow diffusion in conventional immobilized nanocomposites. Here, a scalable fibrillation strategy is developed based on precise molecular spatial confinement self-assembly, wherein lacunary Keggin-type SiW 11 clusters integrate with amphiphilic cations to yield one-dimensional IL nanofibrils. These IL nanofibrils feature ultrathin diameters (< 5 nm), high aspect ratios (> 10 3 ), and strong negative zeta potentials (< −30 mV), enabling full active site exposure and rapid heavy metal transport. As a result, they achieve > 96.8 % removal efficiency under high salinity and multi-metal competition, with a Pb(II) distribution coefficient ( K d ) of 28,877.5 mL/g—over 490-fold higher than commercial sulfonated polystyrene resins. Ultrafast kinetics were observed, with pseudo-second-order rate constants (k 2 ) 6–10 times greater than those of supported ILs. In continuous-flow tests across five real industrial sites, the nanofibrils demonstrated purification capacities of 3678–6940 L/kg, consistently reducing effluent Pb(II) below 0.1 mg/L (GB21900–2008, China). Charged IL nanofibrils can be easily regenerated with negligible performance loss and at minimal cost, thereby constituting a robust and scalable platform for the deep extraction of heavy metals from real complex effluents. More broadly, this fibrillar IL construction strategy unlocks programmable interfacial chemistry for advanced wastewater treatment systems.
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