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FUEL · 2025 · IF 7.5

Roles of Lewis acid derived from NiMo alloy in Hydrodeoxygenation of lignin-derived phenols

Muhammad Chawla,Xiyue Lu,Mooeez ur Rehman,Fan Sun,Wei Liu,Shengnian Wang,Yongli Ma,Mingyan Liu,Yujun Zhao

It is highly desired to use non-noble metal catalysts for efficiently upgrading biomass into biofuels and value-added products. A series of Ni-Mo bimetallic catalysts were synthesized using hydrothermal method; and employed in the hydrodeoxygenation (HDO) of guaiacol to cyclohexane. The resulting highly dispersed catalyst with an optimal Ni/Mo ratio, Ni 0.75 Mo 0.25 ZrO 2 demonstrated outstanding HDO performance with a 100 % yield of cyclohexane under 250 ℃ and 5 MPa due to the synergistic effect of NiMo alloy and metallic Ni. Further characterization results reveal that enhanced catalytic activity is primarily attributed to the improved dispersion of metal on ZrO 2 support, facilitated by the formation of NiMo alloy. The introduction of Mo into the Ni framework alters the surface structure, breaking up the continuous Ni surface into smaller ensembles. Additionally, the presence of Mo reduces the d-band electron density of Ni, creating an electron deficient Ni-Mo interface that increase the Lewis acid sites. This modification increases the number of available Lewis acid sites, promoting efficient catalytic processes. Furthermore, the altered surface structure enhances the interaction between the oxygen atom and Mo, thereby facilitating the conversion of cyclohexanol to cyclohexane. This catalyst was found also exceptionally efficient in cleaving the α-O-4 and β-O-4 ether linkages in various lignin-derived model compounds. Together with excellent stability and remarkable adaptability, this bimetallic catalyst exhibits promising potential in production of diesel from lignin resources to pave the way for green and sustainable supply of fuels.

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Journal of the American Chemical Society · 2026 ·Vol. 148 ·期 29 ·31487-31497 · IF 16.6

Accelerated Self-Photopolymerization of Phenolics in Microdroplets Contributes to the Brown Carbon Formation

Yu Haoran,Yang Xinrui,Chu Longgang,Wang Ruobing,Sun Zhaoyue,Gao Juan,Vione Davide,Wu Bing,Ren Hongqiang,Zhu Chongqin,Francisco Joseph S.,Gu Cheng

While phenolic compounds are recognized as key atmospheric precursors of brown carbon (BrC), the mechanisms governing their interfacial transformation into BrC aerosols, particularly at the microdroplet air–water interface (AWI), remain incompletely characterized. This study investigated the photolysis of phenolic compounds in microdroplets under UV irradiation, revealing a transformation efficiency 2 orders of magnitude higher than that in bulk solutions. Through integrated Fourier transform ion cyclotron resonance mass spectrometry, liquid chromatography–mass spectrometry, and fluorescence excitation–emission matrix spectrum, we identified interfacial-confined oligomerization as the dominant pathway generating BrC with oligomer characteristics. Multiscale theoretical simulations unveiled that the AWI functions as a key mediator through a synergistic mechanism: it not only drives the spontaneous accumulation of phenols at the interface, but also enhances their photon absorption efficiency via asymmetric interfacial H-π hydrogen bonding, as evidenced by a critical 24.7% increase in the molar extinction coefficient at 298 nm. Together, these dual effects synergistically facilitate photon capture and subsequent phenoxy radical generation. Our results establish the AWI as photochemical nanoreactors that fundamentally alter atmospheric BrC formation kinetics, providing a mechanistic framework to reconcile field observations of rapid aerosol aging under humid conditions, while challenging current model assumptions about phenolic transformation time scales.

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ChemSusChem · 2026 ·Vol. 19 ·期 14 ·e70853 · IF 5.9

A Novel Two-Step Conversion of Lignin-Derived Phenol to Benzene Through Hydrogenation and Dehydrogenation

Riyang Shu,Guangming Liang,Hongyun You,Wei Lv,Zhipeng Tian,Chao Wang,Ying Chen,Long Yan

Arenes possess high energy density and outstanding combustion performance, making them key components of aviation fuels. However, the conversion of lignin-derived phenolic compounds to arenes typically requires high temperatures (above 300°C), which not only alters the catalyst structure and promotes side reactions but also increases energy consumption and potential safety risks. In this study, a green and environmentally friendly two-step method for the low-temperature conversion of phenol to benzene was proposed, achieving controllable product selectivity at low temperatures. The hydrogenation of phenol occurred efficiently at room temperature and achieved 100% conversion of cyclohexanol. Then, the dehydration and dehydrogenation of cyclohexanol was performed at a low temperature of 200°C, resulting in 90.1% selectivity of benzene. In addition, the catalyst showed good cycling stability, with the benzene selectivity remaining at 84.6% after four reaction cycles. Based on the effect of reaction time on product distribution, a proposed reaction pathway for cyclohexanol to benzene was discussed. Moreover, the comparison between this two-step method and previously reported one-step methods for phenol to benzene was carried out, highlighting the superiority of this work. Graphical This work proposed a two-step process for the conversion of lignin-derived phenol to produce benzene at low reaction temperatures of 200°C, resulting in 100% conversion and 90.1% benzene selectivity.

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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Sustainable extraction and in situ separation of bromelain from pineapple peel using deep eutectic solvent/salt system: molecular mechanism, hydrolytic activity and stability

Yiling Liu,Qizhen Huang,Yihan Liu,Jiacong Wu,Ming Li,Yun Wang,Juan Han,Lei Wang

Deep eutectic solvents were screened for efficient bromelain extraction. • DESs effectively disrupted the recalcitrance of cell wall by selectively removing lignin. • The extraction mechanism was owing to reconstruction of hydrogen bonding network between lignin and ChCl:Gly. • The stability mechanism was verified by molecular docking and inactivation kinetics. • In situ ChCl:Gly/salt ATPS was formed for the efficient purification of bromelain. To make full utilization of pineapple peel, which is usually discarded as pineapple processing waste, deep eutectic solvents (DESs) were screened to disrupt cell wall for the extraction of bromelain, and then in situ DES/salt aqueous two-phase system was constructed for the efficient purification of bromelain. The degree of cell wall disruption was tuned effectively by adjusting the interactions between DESs and cell wall components. ChCl:Gly reconstructed the hydrogen bonding network between lignin and itself to selectively remove lignin in compound middle lamella and cell corners, and retain hemicellulose and cellulose, which gave high extraction yield (6.4 mg/g), high activity (88.7 U/mg) and high purity under the optimum conditions. The unique hydrogen bonding environment constructed by ChCl:Gly maintained the conformation and enhanced the stability of bromelain. The crude extracts containing ChCl:Gly was further subjected to aqueous two-phase system to obtain the purified bromelain, where extraction efficiency of 96% with activity recovery of 111% and 2.58-fold purification was achieved. More importantly, ChCl:Gly exhibited the capacity for multiple recycling and reuse cycles with stable extraction efficiency, activity recovery and purification fold. The proposed platform integrates extraction, purification and enrichment in one step, achieving green and sustainable extraction of high-yield and high-purity bromelain from pineapple peel Download: Download high-res image (357KB) Download: Download full-size image

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ULTRASONICS SONOCHEMISTRY · 2026 · IF 10.2

Ultrasound-assisted extraction of flavonoids from Artemisia argyi folium using deep eutectic solvents: optimization, mechanistic characterization, bioactivity evaluation, and strawberry preservation applications

Nina Bao,Xinyuan Zhao,Lele Li,Marwan M.A. Rashed,Weifeng Yuan

This study presents an efficient and environmentally sustainable technique for extracting flavonoids from Artemisia argyi folium, employing natural deep eutectic solvents combined with ultrasound-assisted extraction (NADESs-UAE). Among the ten DES systems evaluated, the Choline Chloride-Lactic Acid mixture (ChCl-LA, molar ratio 1:1, designated as DES-3) yielded the highest extraction of 93.39  mg of rutin equivalents (RE) per gram of dry weight (DW). This was much higher than the yields obtained with traditional 60% ethanol or water extraction methods. Response surface methodology (RSM) was used to optimize key extraction variables, including water content, extraction time, temperature, and liquid-to-solid ratio. Optimal conditions included 51.5  g/100  g water content, 56  min extraction time, and an extraction temperature of 59 °C. The liquid-to-solid ratio reached 48  mL/g under optimized conditions. Under these conditions, the predicted flavonoid yield was 99.27  mg RE/g DW, whereas the experimental value was 98.71 ± 0.66  mg RE/g DW, confirming the model’s reliability. Kinetic investigations demonstrated that the extraction process followed a pseudo-second-order kinetic model, indicating enhanced diffusion-assisted mass transfer under ultrasonic cavitation conditions. Scanning electron microscopy (SEM) analysis revealed that DES-3 induced pronounced cellular disruption, thereby facilitating enhanced flavonoid extraction. Fourier-transform infrared (FT-IR) spectroscopy further confirmed the presence of strong hydrogen-bonding interactions between ChCl-LA and flavonoid compounds. Compared with conventional solvent systems, the ChCl-LA extract exhibited superior antioxidant activity, including DPPH radical-scavenging activity (959.98 ± 9.59  mg Trolox/g DW), as well as enhanced α-glucosidase inhibition (91.8% at 125  μg/mL) and antibacterial activity. Furthermore, treatment with AAF extracts effectively improved strawberry firmness and enhanced POD activity during storage, thereby prolonging strawberry shelf life. Overall, the findings demonstrate that NADESs-UAE represents a promising green extraction strategy for the efficient recovery and practical utilization of flavonoids from Artemisia argyi folium.

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Horticulturae · 2026 ·Vol. 12 ·期 7 ·824 · IF 3.4

Exogenous Salicylic Acid Alleviates Waterlogging Stress in Xanthoceras sorbifolium: Physiological Mechanisms and Molecular Regulation

Xiaojiao Zhou,Jiajun Liu,Wuque Wang,Xing Tao,Gaiping Wang,Jinting Zhai

A major Chinese woody oil plant with unsaturated-fatty-acid-rich seeds for biodiesel and edible oil,Xanthoceras sorbifoliumtolerates drought but not waterlogging; salicylic acid (SA), a key stress response signal, is inexpensive, safe, and effective for enhancing stress tolerance. Two-year-old saplings ofXanthoceras sorbifoliumwere used as materials. They were sprayed with 0.5 mmol·L−1SA for 3 days (based on prior studies), and then waterlogged for 10 days; physiological and transcriptomic data were collected. SA significantly increased height, diameter, and root dry weight by 392.6%, 450.0%, and 242.4% compared to water control; enhanced osmotic regulatory substances, antioxidant enzyme activities, secondary metabolites, and root activity; and reduced malondialdehyde content and relative electrical conductivity by 23.40% and 148.7%. SA-enhanced antioxidant defense correlated with synergistic transcriptional regulation. Transcriptome analysis showed that SA up-regulated key enzyme genes involved in flavonoid synthesis, such as PAL and 4CL, and regulated hormone signal transduction-related genes such as SAUR and DELLA. Key transcription factor genes were also screened, mainly including members of the MYB, bHLH, and ERF families. SA alleviated waterlogging damage. Meanwhile, this study provides valuable insights into the molecular basis of the response to waterlogging stress regulated by salicylic acid, and offers important theoretical and practical significance for the promotion and cultivation ofXanthoceras sorbifoliumin rainy southern regions of China.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2026 · IF 9.6

Efficient hydrogen production and anti-coking via reforming of waste plastics by oxygen vacancy promoted plasma-catalysis

Haijun Wu,Shenggui Ma,Dianhang Wei,Yaolin Wang,Quanwei Lv,Ziheng Jin,Xinrui Wang,Xin Tu,Xia Jiang

A strategy for plasma-coupled O v -rich catalytic hydrogen production is proposed. • The catalyst shows high activity and universality for hydrogen production. • Synergistic cascade from plasma dissociation to catalytic surface reforming. • The key mechanism of “hydrogen promotion and anti-coking” were revealed. Hydrogen production from plastics contributes to the circular economy by enabling both waste valorisation and green energy generation. Integrated pyrolysis-plasma catalytic technology offers notable advantages in improving hydrogen production, but it still faces challenges such as catalyst coking and limited understanding of the reaction mechanisms. This study proposes a water vapor plasma-coupled oxygen vacancy-rich (O v -rich) catalytic strategy to systematically investigate the improved hydrogen production from plastics over an anti-coking catalyst. The results show that the O v -rich catalyst exhibits outstanding hydrogen production activity, strong synergistic effect, and universality in the non-thermal plasma catalytic (NTP-C) reforming reaction of mixed model compounds in plastic pyrolysis oil. Crucially, its practical effectiveness was successfully validated in the NTP-C reforming of polyethylene (PE)/polypropylene (PP) pyrolysis oils. Moreover, the O v -rich catalysts significantly inhibited coking and maintained good stability for 1800 min in a multi-component mixed system. The mechanisms of hydrogen production and coking inhibition were revealed via Density Functional Theory (DFT) calculations, in situ plasma-coupled Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS), and Optical Emission Spectroscopy (OES). A synergistic reaction pathway, coupling plasma gas-phase dissociation with catalytic surface reforming, was identified as a key mechanism for enhancing hydrogen yield in plasma-catalytic systems. The study offers valuable insights for advancing plasma-assisted hydrogen production technologies. Download: Download high-res image (150KB) Download: Download full-size image

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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2026 · IF 8.7

Molecular insights into the anti-browning effect of protocatechualdehyde

Yan-Ping Lin,Dong-Yan Zhou,Shang-Guang Du,Zi-Fan Yu,Rui-Na Zhou,Hao-Miao Li,Wei-Ming Chai

Protocatechualdehyde (PCA) is a better PPO inhibitor than ellagic acid. • PCA causes structural stretching and conformational change of PPO. • PCA is demonstrated as a potent anti-browning agent. • PCA regulates phenolic metabolism, reduces lipid peroxidation, boosts AsA-GSH cycle. • PCA regulates cell wall metabolism, inhibiting senescence-related browning. Polyphenol oxidase (PPO) is a vital polyphenol-metabolizing enzyme responsible for the enzymatic browning of fruits and vegetables. This study assessed the anti-PPO activity of protocatechualdehyde (PCA), yielding an IC 50 value of 94 μM (95% CI: 91.8 to 96.4 μM). Kinetic analysis revealed that PCA acted as a reversible and competitive inhibitor of PPO. Molecular docking indicated that hydrogen bonding and hydrophobic interactions were the main driving forces for PCA-PPO binding. Fluorescence spectroscopy further demonstrated that PCA binding altered the microenvironments around tyrosine and tryptophan residues, leading to conformational rearrangements and partial unfolding of the enzyme, evidenced by significant fluorescence quenching. Molecular dynamics simulation demonstrated that PCA perturbed the secondary structure of PPO and caused stretching of its overall structure, thereby inhibiting the catalytic activity of the enzyme. Furthermore, PCA demonstrated excellent anti-browning activity by regulating phenolic metabolism, reducing membrane lipid peroxidation, enhancing the ascorbic acid-glutathione cycle, and modulating cell wall metabolism to delay cellular senescence. Collectively, these findings offer some valuable insights into the development of PPO inhibitor and anti-browning agent, and provide a theoretical foundation for the potential application of PCA in the area of food preservation. Download: Download high-res image (249KB) Download: Download full-size image

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Journal of Water Process Engineering · 2026 · IF 6.6

Polymeric removal of phenolic compounds in acetylperoxyl radical-mediated oxidation processes

Jiaqi Yang,Zhenxin Wang,Xun Jiao,Jing Xu,Xiangkang Zeng,Shengjiong Yang,Gen Wang

Oxidative polymerization is an unrecognized yet critical pathway in CH 3 CO 3 • -mediated AOPs. • Polymerization contributes ∼20–65% to phenolics removal depending on substituent merits. • CH 3 CO 3 • -driven polymerization process works efficiently in saline and real coking wastewater. • Recovered polymers can be valorized as functional porous carbon materials with high surface area. The acetylperoxyl radical (CH 3 CO 3 • )-based advanced oxidation processes (AOPs) have been widely employed for organic contaminant elimination, with existing studies predominantly attributing pollutant removal to mineralization or fragmentation pathways. However, the contribution of oxidative polymerization triggered by CH 3 CO 3 • has been systematically overlooked. Herein, by taking the widely-studied CH 3 CO 3 • -based oxidation system (i.e., Co 2+ /PAA), we demonstrated that oxidative polymerization constitutes a critical pathway, accounting for 12.2–61.4% of phenolic contaminants removal in CH 3 CO 3 • -driven AOPs depending on the substituent merits. Through systematic analysis of the transformation of phenol during the oxidation and comprehensive characterization of recovered solid polymers, we confirmed the formation of solid-state polymers in the Co 2+ /PAA system. Thermodynamic calculations further validate the feasibility of polymerization mechanisms, identifying hydrogen abstraction (HAA) as the predominant initiation step. Notably, this oxidative polymerization phenomenon persists in complex aqueous matrices and real coking wastewater systems, demonstrating environmental relevance. Importantly, the harvested polymeric solids exhibit potential for valorization as precursor materials for porous carbon synthesis, achieving surface areas as high as 635.7 m 2 /g with promising catalytic performance. This work uncovers a previously neglected but significant polymerization pathway in the CH 3 CO 3 • -based AOPs, establishing a sustainable avenue for phenolic wastewater purification. Oxidative polymerization, which has been largely overlooked in CH 3 CO 3 • -mediated AOPs, constitutes a critical route for removing electron-rich phenolic compounds, accounting for ∼20–65% of contaminant elimination depending on substituent characteristics. The CH 3 CO 3 • -driven polymerization process proves effective for treating phenolic industrial wastewater. It enables simultaneous phenolic contaminant removal and the recovery of solid polymer products, which can be further valorized as precursors for porous functional carbon materials. Download: Download high-res image (171KB) Download: Download full-size image

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FUEL · 2026 · IF 7.8

Model compound study about catalytic Co-Pyrolysis of lignin and polyethylene by using online photoionization mass spectrometry and ReaxFF MD simulation

Zeyu Wu,Zhen Yang,Xinyue Zhao,Xi Gao,Yuan Xue,Mo Zheng,Liangyuan Jia,Zhongyue Zhou

Catalytic co-pyrolysis of lignin and hydrogen rich plastics with zeolite can potentially mitigate the problems including low conversion and severe coking with lignin. However, controversial conclusions still exist regarding the synergistic effects and cross-reaction pathways between the two feedstocks, resulting from complex product composition and limited testing methods. To clarify the aforementioned problems, the current study investigated the catalytic co-pyrolysis of model compounds from lignin (guaiacol) and polyethylene with HZSM-5 by using in-situ sampling and online vacuum ultraviolet photoionization mass spectrometry (VUV-PIMS). Specifically, C6 hydrocarbons (n-hexane, hexene, and hexadiene) with different unsaturation degrees were chosen to understand the role of plastic-derived volatiles in co-pyrolysis. Pyrolysis of individual feedstock showed that the increase of double bonds in C6 hydrocarbons could enhance the production of aromatic hydrocarbons, while the conversion of guaiacol to aromatic hydrocarbons occurred following the pathways as: guaiacol→catechol→phenol&cresol→BTX (benzene, toluene, and xylene). Analyzing the evolution of major intermediates and products from co-pyrolysis showed that hydrogen transfer from C6 hydrocarbon to guaiacol significantly enhanced the conversion of catechol to phenol/cresol and subsequent hydrodeoxygenation to BTX. Hexadiene showed the strongest synergistic effects with guaiacol, as abundant hydrogen was generated from aromatization reaction and then transferred. Fitting the evolution curves with 1st order catalyst deactivation kinetics model indicated that the decay factors calculated based on the yield changes of BTX and typical phenolic products were significantly lower with co-pyrolysis. The synergistic effects to mitigate catalyst deactivation and coke formation were further confirmed by characterizations of spent catalysts, catalytic coke and coke precursors, strength of which followed the order as hexadiene (16.7%) > hexene (13.0%) > n-hexane (8.5%). These experimental observations were further corroborated by ReaxFF MD simulations, which provide complementary evidence for hydrogen-transfer interactions.

CAS / MDL: 90-05-1
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JOURNAL OF MOLECULAR STRUCTURE · 2026 · IF 4.9

Backbone-engineered bio-based monophenolic benzoxazine–phthalonitrile hybrids: Curing kinetics, thermal stability and fracture behavior

Abdelwahed Berrouane,Mehdi Derradji,Karim Khiari,Wenbin Liu,Qiufei Chen,Mounia Ticherfatine

This study presents three partially bio-based benzoxazine-containing phthalonitrile monomers (EU-BZ-PN, GU-BZ-PN and 3MP-BZ-PN), synthesised via a facile solvent-less melt condensation method using eugenol, guaiacol and meta-methoxyphenol with 4-aminophenoxy phthalonitrile and paraformaldehyde. The chemical structures of the hybrids were validated by FTIR and 1 H NMR analyses. Their curing involves a sequential two-step self-promoted process: ring-opening polymerization of the oxazine groups followed by ring-forming cyclotrimerisation of the phthalonitrile units, yielding polybenzoxazine and N-heteroaromatic networks, respectively. Non-isothermal DSC combined with peak deconvolution and Starink isoconversional analysis reveals that the monophenolic backbone governs the curing kinetics, with apparent activation energies for the two stages spanning roughly 80–130 kJ mol − 1 ; the meta-methoxy 3MP-BZ-PN displays the lowest activation barriers and the lowest onset and peak curing temperatures. In-situ FTIR tracking of the benzoxazine (948 cm − 1 ) and nitrile (2228 cm − 1 ) bands corroborates the sequential mechanism and confirms the higher reactivity of 3MP-BZ-PN. After curing, all hybrids exhibit outstanding thermal robustness ( T 10%  > 460  ∘ C, char yield up to 71.6 wt% at 800 ∘ C) and high glass-transition temperatures ( T g between 325 and 373 ∘ C). DMA, flexural testing and SEM demonstrate a tunable balance between stiffness, T g and fracture toughness via simple backbone engineering, making these bio-based BZ–PN hybrids promising high-performance thermosetting matrices for advanced structural and extreme-environment composite applications.

CAS / MDL: 97-53-0 90-05-1
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FUEL · 2026 · IF 7.8

Ni–MoOx/Nb2O5 catalysts for in situ hydrothermal conversion of guaiacol to catechol

Jian Wang,Yu Zhao,Tianhua Yang,Xinyong Diao,Yao Tong,Shuang Cui,Bingshuo Li,Rundong Li

Guaiacol, an important lignin-derived compound, presents a central challenge in the efficient upgrading of biomass into sustainable biofuels. Conventional conversion processes are often limited by dependence on corrosive acids, noble metals, or external hydrogen sources, leading to increased costs and safety concerns. In this study, we developed a hydrothermal conversion method that enables guaiacol to catechol transformation without the need for external hydrogen or inorganic acids. This was accomplished using transition-metal-based n Ni– y MoO x /Nb 2 O 5 catalysts capable of cleaving C–O bonds. The results showed that the Ni/MoO x ratio was critical in governing the formation of the NiMoO 4 spinel phase while inducing a strong metal–support interaction (SMSI) that directly affected the surface acidity and oxygen vacancy concentration. Using the 5Ni-5MoO x /Nb 2 O 5 catalyst (Ni/Mo = 1:1) at 300   °C for 2   h, 26.15% guaiacol conversion was achieved, with catechol selectivity 12.9-fold higher than in the noncatalytic system. This superior performance originated from a synergistic effect between the moderate acid strength and the high concentration of defective oxygen vacancies, which collectively drove the selective cleavage of the O–CH 3 bond. The produced catechol serves as a pivotal platform intermediate for synthesizing renewable fuel additives and advanced biofuel components. This study presents a sustainable catalyst design strategy for converting lignin resources into valuable biofuel precursors.

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