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BIORESOURCE TECHNOLOGY · 2026 · IF 9

Molecular orbital-guided design of laccase–mediator systems for antibiotic removal in the presence of humic acid

Tianyin Huang,Yifan Yu,Wentao Zhang,Yue Zhao,Yiliang Tao,Wenguang Huang,Bingdang Wu

Antibiotic residues, as emerging environmental contaminants, have raised significant concerns, underscoring the urgent need for efficient laccase–mediator systems (LMS) to facilitate their removal. However, the screening and design of high-performance mediators remain largely empirical, lacking robust theoretical guidance. In this study, we systematically evaluated the kinetic performance of Trametes versicolor laccase coupled with 19 redox mediators for sulfamethoxazole (SMX) degradation in the presence of humic acid (HA). Among the mediators tested, syringaldehyde (SA) exhibited superior degradation efficiency. By promoting laccase-catalyzed generation of phenoxyl radicals, the kinetics of antibiotic removal was improved. Toxicity assessments revealed that the degradation products of SMX in the SA-mediated LMS with HA exhibited low ecological risk. The system maintained high SMX degradation performance in various real water matrices (with a removal rate of up to 95 % and a reaction rate of up to 0.11 min −1 ), demonstrating its applicability in environmentally relevant scenarios. Furthermore, we established a structure–activity relationship between the electronic properties of natural mediators and SMX removal efficiency, demonstrating that catalytic performance is closely correlated with frontier molecular orbital energy levels and HOMO (Highest Occupied Molecular Orbital)–LUMO (Lowest Unoccupied Molecular Orbital) gaps. High-efficiency mediators typically possess higher HOMO energies and narrower energy gaps. This study offers molecular-level insights and design principles for developing efficient mediators, advancing the targeted application of LMS technology for the remediation of emerging contaminants.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2025 · IF 6.2

Highly Specific Monoclonal Antibodies Combined with A Multiplex Quantum Dot Microsphere-based Fluorescence Lateral Flow Immunochromatographic Assay for Simultaneous Detection of Vanillin, Methyl Vanillin, and Ethyl Vanillin in Food Samples

Feng He,Lingling Guo,Liqiang Liu,Xinxin Xu,Liguang Xu,Chuanlai Xu,Hua Kuang,Maozhong Sun

Vanillin (VAN), methyl vanillin (VER), and ethyl vanillin (EVA) are widely used as flavor enhancers in processed foods. Monitoring their levels is essential to prevent overuse or adulteration, especially in infant foods. Herein, a computational chemistry-aided molecular modeling technique was employed to design specific haptens for VAN, VER, and EVA. High-affinity monoclonal antibodies were generated via hybridoma technology with matrix effect-enhanced screening, yielding half-maximal inhibitory concentrations of 22.10, 49.94, and 40.84 ng/mL. A multiplex quantum dot microsphere-based fluorescence lateral flow immunoassay was developed for the simultaneous detection of VAN, VER, and EVA in infant formula and rice. The quantitative detection ranges in infant formula were 6.31–142.59, 24.07–119.88, and 23.34–214.77 μg/kg; in rice, the detection ranges were 6.71–143.63, 18.51–183.75, and 21.42–167.65 μg/kg. The method was validated through spiked recovery tests and real sample analysis, demonstrating its accuracy and reliability for rapid, high-throughput screening applications.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Gels · 2023 ·Vol. 9 ·期 4 ·335 · IF 4.6

Ethyl Vanillin Rapid Crystallization from Carboxymethyl Chitosan Ion-Switchable Hydrogels

Chenghong Huang,Hong Tang,Xiaorong Huang,Hongjie Chen,Kang Yang,Qi Yin,Lin Zhang,Xia Li,Xue Mou,Shuangkou Chen,Yuchan Zhang,Yan Hu

Polymer gels are usually used for crystal growth as the recovered crystals have better properties. Fast crystallization under nanoscale confinement holds great benefits, especially in polymer microgels as its tunable microstructures. This study demonstrated that ethyl vanillin can be quickly crystallized from carboxymethyl chitosan/ethyl vanillin co-mixture gels via classical swift cooling method and supersaturation. It found that EVA appeared with bulk filament crystals accelerated by a large quantity of nanoconfinement microregions resulted from space-formatted hydrogen network between EVA and CMCS when their concentration exceeds 1:1.4 and may occasionally arise when the concentration less than 1:0.8. It was observed that EVA crystal growth has two models involving hang-wall growth at the air-liquid interface at the contact line, as well as extrude-bubble growth at any sites on the liquid surface. Further investigations found that EVA crystals can be recovered from as-prepared ion-switchable CMCS gels by 0.1 M hydrochloric acid or acetic acid without defects. Consequently, the proposed method may offer an available scheme for a large-scale preparation of API analogs.Keywords:EVA;CMCS;crystallization;nanoconfinement

CAS / MDL: 121-32-4 83512-85-0
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JOURNAL OF CHROMATOGRAPHY A · 2023 · IF 4.1

In situ growth of imine-based covalent organic framework as stationary phase for high-efficiency electrochromatographic separation

Zhentao Li,Zhengzheng Liao,Jinfang Hu,Zilin Chen

Design of the smart stationary phases, which can improve the separation efficiency is an essential work in the capillary electrochromatography (CEC). Owing to good excellent properties, covalent organic frameworks (COFs) have showed promising potential in the area of separation science . Here, a micro- and mesoporous COF TAPB-BTCA with adequate available interaction sites and outstanding mass transfer performance was first exploited as a stationary phase for high-efficiency in capillary electrochromatography. Through in situ growth approach, the COF TAPB-BTCA coated capillary column was facilely prepared at room temperature . The separation ability of the COF TAPB-BTCA coated capillary column was studied. The fabricated column showed high efficiency for the separation of six types of small molecular compounds, including alkylbenzenes , chlorobenzenes , phenols, parabens , vanillin and related phenolic compounds , and non-steroidal anti-inflammatory drugs (NSAIDs). The maximum theoretical plates reached up to 293,363 N/m for phloroglucinol , showing significantly improved column efficiency in comparison to previous reported COFs-based columns. In addition, the mass loadability for methylbenzene was achieved to 1.44 mg/mL. Also, excellent reproducibility and stability were obtained on the COF TAPB-BTCA coated columns. The relative standard deviations of intra-day ( n  = 3), inter-day ( n  = 3) and three batch tubes were all less than 2%, and no obvious change was presented in separation performance after the column was used 120 runs. This COF TAPB-BTCA-based stationary phase would be a promising candidate for high-efficiency chromatographic separation.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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MICROPOROUS AND MESOPOROUS MATERIALS · 2023 · IF 5.2

Hierarchical pore-trapped and hydrogen-bonded phosphoric acid in Pd-supported zeolite for the efficient aqueous hydrodeoxygenation of lignin derivatives at ambient temperature

Ruixue Yangcheng,Yuntong Cui,Shuang Luo,Jiansu Ran,Jianjian Wang

Developing an efficient and stable catalyst for the aqueous hydrodeoxygenation (HDO) of lignin derivatives at ambient temperature is highly desirable. Here, a novel Pd/PHS catalyst with the hierarchical structure was facilely constructed. Taking HDO of vanillin (VAN, a typical molecule of lignin derivatives) to 2-methoxy-4-methyl phenol (MMP) as a model reaction, >99% VAN conversion and 98.2% MMP yield can be achieved over Pd/PHS at ambient temperature in a water solvent, outperforming the recent works reported in the literature. We found that the hierarchal zeolitic structure could immobilize acidic P species in Pd/PHS via trapping and hydrogen-bonding, and these P species could greatly accelerate the conversion of reaction intermediate, enhancing the yield of MMP product. Pd/PHS also showed excellent activities in HDO of other lignin derivatives. We think this work will provide a new route to guide the design of stable catalyst for the efficient aqueous HDO of lignin derivatives to high value-added chemicals and biofuels at ambient temperature.

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SENSORS AND ACTUATORS B-CHEMICAL · 2023 · IF 8.4

Colorimetric and surface-enhanced Raman scattering method for vanillin detection based on two types of reduced silver nanoparticles

Yurong Zhuang,Chenchen Wang,Yong Wang,Yuhui Chen,Songqin Liu,Wei Wei

It’s the first time we found that vanillin and 3,3′,5,5′-tetramethylbenzidine (TMB) can reduce Tollens’ reagent to different types of Ag nanoparticles (Ag NPs) because of their different reducibility . Vanillin reduced the Tollens’ reagent to small size of Ag NPs (Ag45 NPs) which was colorless and has the maxmium absorption at 350 nm, while pink large Ag NPs (Ag100 NPs) with the maxmium absorption at 490 nm was reduced by TMB. Based on different types of AgNPs reduced by vanillin and TMB, dual-mode detection of vanillin by colorimetry and surface-enhanced Raman scattering (SERS) was designed. The solution changed from pink to colorless with the increasing concentration of vanillin (within 3 min). On the other hand, the reduced Ag45 NPs shows a high SERS enhancement factor, which can be applied for ultra-sensitive detection of vanillin in situ. The SERS had a low detection limit of 25.8 pM, which was 5-orders lower than the colorimetric method and most previously reported methods. Importantly, It avoids the additional procedures to prepare SERS-active substrates and can be used to discriminate vanillin from ethylvanillin, both of which are very difficult to be distinguished because of their much highly similar structure and property. Therefore, the visual, fast and high-sensitive dual-mode strategy has great potential in food safety assessment.

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CHEMICAL ENGINEERING JOURNAL · 2022 · IF 16.744

Defect engineering of Metal-Organic Framework for highly efficient hydrodeoxygenation of lignin derivates in water

Weichen Wang,Tian Sheng,Shanshuai Chen,Zhiyu Xiang,Fangyuan Zhou,Wanbin Zhu,Hongliang Wang

Designing highly active catalysts for selective hydrodeoxygenation (HDO) of lignin-derived oxygenates into well-defined compounds is of great importance for realizing high-value utilization of lignin. Defect engineering in metal–organic frameworks (MOFs) is an emerging concept for tailoring MOF properties, which might be a promising strategy in the synthesis of high-performance catalysts. Herein, we developed a facile synthetic strategy by adding trifluoroacetic acid as the modulator to prepare a bifunctional catalyst (Pd/NH 2 -MIL-53-d) consisting of Pd nanoparticles highly dispersed on defective NH 2 -MIL-53(Al). Characterizations, including TEM, XRD, IR, XPS and NH 3 -TPD, were employed to reveal the morphology and physicochemical properties of the catalysts. Results indicated that the introduction of defects leads to the generation of coordinatively unsaturated metal sites, which can act as anchor points for high-dispersion of Pd nanoparticles and as additional active acid sites for catalytic reactions. 100% conversion of vanillin and other 8 representative derivates of lignin into their decarbonyl products with yields over 99% has been achieved under mild conditions in the water. Density functional theory calculations revealed that the HDO of vanillin into 2-methoxy-4-methylphenol mainly underwent a cascade of hydrogenation-hydrogenolysis routes, and the synergistic interaction between Pd and defective NH 2 -MIL-53(Al) facilitated the novel bifunctional catalyst to exhibit outstanding catalytic performance. No apparent deactivation of the catalyst was noticed after it was reused 5 times. Therefore, engineering of defects in MOFs holds enormous potential in designing novel bifunctional catalysts for lignin valorization.

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ACS Sustainable Chemistry & Engineering · 2022 · IF 9.224

Significant Promotion of Carboxyl Groups in Palladium Nanoparticles-Supported Biomass Carbon Catalysts for Efficient Low-Temperature Hydrodeoxygenation of Lignin Derivatives in Water

Jiansu Ran,Ruixue YangCheng,Yuntong Cui,Jianjian Wang

Selective and efficient low-temperature hydrodeoxygenation (HDO) of lignin derivatives in water for the production of valuable biofuel and chemicals is still challenging. Herein, we reported biomass carbon-supported ultrafine Pd nanoparticles as highly active and stable catalysts for low-temperature HDO of vanillin (a typical lignin-derived compound) to 2-methoxy-4-methylphenol (MMP). We found that the abundant carboxyl groups on the resultant catalyst greatly accelerated the conversion of the generated intermediate (vanillyl alcohol, VAL), and then, the synergistic catalysis between carboxyl groups and Pd nanoparticles promoted the efficient production MMP through a free-radical pathway. Other lignin derivatives with different functional groups were also efficiently converted to the corresponding products over the prepared catalyst. This work may provide a new idea for designing a biomass-derived catalyst for efficient transformation of various lignin derivatives to produce value-added biofuels and chemicals.

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GREEN CHEMISTRY · 2022 ·Vol. 24 ·期 4 ·1570-1577 · IF 11.034

Phosphoric acid-modified commercial kieselguhr supported palladium nanoparticles as efficient catalysts for low-temperature hydrodeoxygenation of lignin derivatives in water

Ruixue Yangcheng,Jiansu Ran,Zhaohui Liu,Yuntong Cui,Jianjian Wang

Efficient production of high value-added chemicals and biofuels via low-temperature chemoselective HDO of lignin derivatives in water is still a challenge. Here, we construct a low-cost, active and stable Pd/PCE catalyst using phosphoric acid-modified commercial Celite (PCE) as the support, and this catalyst exhibits excellent activity in low-temperature HDO of vanillin as well as other lignin derivatives in water. The superior catalytic performance is due to the presence of P species on the surface of Pd/PCE, accelerating the selective conversion of the intermediate into the final product. Detailed experimental and mechanistic studies reveal that the rapid conversion of the intermediate to the final product proceeds via a free-radical process in an interfacial microenvironment created by intimate interacting between the P species and Pd NPs. The insights of this work provide a new low-cost catalytic system for efficient production of valuable chemicals and future biofuels from lignin derivatives.

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FUEL · 2022 · IF 8.035

Core shell hetero-structured SiO2@Ni/SiO2 catalyst for efficient aqueous-phase hydrogenation of bio-derived unsaturated compounds

Zidan Zou,Chun Chen,Zhi Hu,Yue Shen,Zhen Fu,Wenchao Li,Yunxia Zhang,Haimin Zhang,Huijun Zhao,Guozhong Wang

Silica is one of the most referenced materials for the preparation of heterogeneous metal catalysts. However, silica spheres with smooth surfaces have difficulty encapsulating active metals due to their small surface area and the presence of only a handful of silicon hydroxyl groups on the surface. In this work, the silica sphere has been first consciously transformed into a hierarchical SiO 2 @silicate structure, and then the core–shell hetero-structured SiO 2 @Ni/SiO 2 catalyst can be tactfully obtained by reducing treatment. The core–shell catalyst is composed of a rigid core (SiO 2 ) and a rough shell (Ni NPs highly disperse on nanosheet SiO 2 ), which are carefully verified by X-ray diffraction (XRD), transmission electron microscope (TEM), field scanning electron microscope (FESEM), H 2 -TPR/TPD and X-ray photoelectron spectroscopy (XPS). The derived SiO 2 @Ni/SiO 2 catalyst can selectively hydrogenate vanillin in the aqueous phase at near-room temperature (40 ℃) and low hydrogen pressure (2 MPa H 2 ), and the conversion of vanillin can be up to 99%. The preparation method of the SiO 2 @Ni/SiO 2 catalyst is simple and can be amplified to a large scale at a low price, thus can be adopted to convert bio-derived unsaturated compounds in an economical and eco-friendly way.

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JOURNAL OF CHROMATOGRAPHY A · 2022 · IF 4.601

Kapok fiber-supported liquid extraction for convenient oil samples preparations: A feasibility and proof-of-concept study

Di Chen,Bin Wang,Xin-Li Xu,Man-Yu Zhang,Xin-Miao Bu,Sen Yang,Yanbo Luo,Xia Xu

In this study, a novel kapok fiber-supported liquid extraction (KF-SLE) method was developed for conveniently extracting analytes from oil samples. Natural kapok fiber without any pretreatment was directly used as an oil support medium. The extraction device was conveniently constructed by directly packing some kapok fibers into a syringe tube. Due to the fibrous property of the kapok fiber, no filter plate was needed. The cost of a KF-SLE device was as low as 0.5 CNY. The KF-SLE process was conveniently conducted using a simple three-step protocol: (1) the oil sample without any pretreatment including dilution was added directedly; (2) then, the oil-immiscible extractant was added; (3) after waiting a certain time for static extraction, the extractant was eluted out by pressing the kapok fibers with the syringe plunger. The extractant could be directly transferred for subsequent instrumental detection. For the feasibility and proof-of-concept study, the method was applied to quantify four synthetic flavor chemicals in edible oils. Satisfied quantification results were obtained with the correlation coefficient (R 2 ) being greater than 0.996, the relative recoveries ranging from 92.90% to 107.53% and intra- and inter-day RSDs being less than 7.56%. All in all, for the first time, the SLE technique was expanded to process oil samples and the method has the characteristics of low cost, environmental friendliness, high sample processing throughput and ease of automation, offering a promising approach for edible oil sample preparations.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2022 · IF 6.056

Simultaneous determination of multiple flavorings in infant formula by direct analysis in real time-mass spectrometry

Li Minglei,Wang Dingzhong,Zhao Wuduo,Xi Hui,Xu Hengyi,Sun Shihao,Fu Yingjie,Zhang Shusheng,Mao Jian,Zhang Jianxun

The excessive flavorings in food are a growing public health concern, particularly in foods for infants and children. A rapid and simple method for simultaneous detection of multiple flavorings in food is urgently needed. In this work, a method with direct analysis in real time-mass spectrometry has been developed and applied to the simultaneous determination of four flavorings, including maltol, ethyl maltol, vanillin, and ethyl vanillin. The ionization efficiency of flavor compounds in the quantitatively-dip-it probe mode was compared with that in the quick strip mode, which revealed that a solvent-assisted ionization mechanism might be involved in the ionization process. The developed method showed good linearity ( R 2  > 0.99) in the range from 5 to 1000 μg L −1 , sensitivity (LODs <3.3 μg L −1 ), recoveries (84.8%–96.9%), satisfactory repeatability (RSD <14.3%, n = 5), and high-throughout (12 infant formula samples completed in 15 min). The LOQs (0.55–1.1 mg kg −1 ) for the infant formula sample were much lower than the regulatory limits. The developed method provided an alternative way to monitor the excessive addition of flavorings.

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