COMBUSTION AND FLAME
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2023
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IF 4.4
Xiaodong Wang,Lili Ye,Xiaoyuan Zhang,Zhihe Zhang,Jiuzhong Yang,Long Zhao
Acetaldehyde, ethylene oxide , and vinyl alcohol are three C 2 H 4 O isomers that are ubiquitous in combustion over a wide temperature range. A comprehensive reaction kinetics study has been performed for reactions that occur on the same C 2 H 4 O potential energy surface , mainly including the unimolecular reactions of three C 2 H 4 O isomers and the recombination reaction of CH 3 with HCO. Temperature- and pressure-dependent rate coefficients were updated or newly predicted by performing quantum chemical calculations coupled with RRKM/master equation simulations. The dominance of C C bond fission is reconfirmed for acetaldehyde decomposition at higher temperatures. The negligible contribution of CH 4 + CO channel from usual tight intramolecular H-shift transition state provides indirect evidence for previously reported roaming mechanism that was proposed to explain the observation of CH 4 + CO in acetaldehyde pyrolysis . For ethylene oxide pyrolysis , current experiment and kinetic prediction have a good consistency in branching ratios between the formation of acetaldehyde and vinyl alcohol products. The radicals of CH 3 + HCO can also be directly generated from ethylene oxide through a well-skipping reaction mechanism especially at higher temperatures. For CH 3 + HCO recombination, we highlight the importance of CH 3 CO + H channel that was often overlooked previously. Kinetic simulations show that the incorporation of updated rate coefficients and newly identified channels results in a measurable influence on C2 chemistry , indicating the possibility and necessity of further improvement of core mechanism in combustion kinetic models .
研究领域:
物理化学
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燃烧化学
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反应动力学
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量子化学计算
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分子反应机制
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CHEMICAL ENGINEERING JOURNAL
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2025
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IF 13.2
Shuting Wei,Dan Yang,Renquan Guan,Peng Xu,Yuxin Wang,Yingmin Teng,Aicen Li,Junkai Zhang,Huaqiao Tan,Lili Wang,Zheng Lou,Wenjuan Zhang,Zhao Zhao
Hydrogen chloride (HCl) gas is widely generated in industrial processes and poses significant risks to human health and ecosystems. Therefore, highly efficient and sensitive sensors are essential for its detection. Among existing HCl gas sensors, chemiresistive sensors based on metal oxide semiconductors (MOSs) have gained considerable interest owing to their structural simplicity, low cost, and ease of miniaturization. However, these sensors often suffer from limitations such as slow response, low selectivity, and high operating temperatures. In this study, we successfully synthesized gas-sensing materials enriched with crystal defects and bulk strain through high-pressure torsion (HPT) technology. These modifications provide additional active sites for gas adsorption and reaction, and induce crystal field distortion that tunes the electronic structure, ultimately enhancing the HCl sensing performance. The optimal sample, ZnO-300R 3/2 , exhibited a response value of 213.79 % toward 100 ppm HCl gas, which is 14.6 times higher than that of the pristine ZnO. Combining spectroscopic analysis with density functional theory (DFT) calculations, we clarified the synergistic mechanism between electronic band structure modulation and surface lattice oxygen activation. This work provides valuable insights for designing novel room-temperature gas sensors and promotes a deeper understanding of surface lattice oxygen-mediated sensing mechanisms.
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INORGANIC CHEMISTRY COMMUNICATIONS
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2026
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IF 5.9
Xiaojun Su,Congming Tang,Xinli Li
The direct dehydrogenation of lactic acid (LA) to pyruvic acid (PyA) presents a sustainable and atom-economical route for biomass valorization, yet it demands high-performance catalysts to achieve satisfactory activity and selectivity. While bimetallic catalysts often show enhanced performance, a deep understanding of the interfacial synergy remains a challenge. Herein, we report a series of CuCo bimetallic oxide catalysts that exhibit remarkable performance in the direct dehydrogenation of LA to PyA, significantly outperforming their monometallic counterparts. A combination of detailed catalyst characterization and kinetic analyses unravels the critical role of the CuCo oxide interface. It is demonstrated that the Co sites at the interface are primarily responsible for the activation and cleavage of the α-C-H and α-O-H bond in lactate, while the adjacent Cu species facilitate the stabilization of the reaction intermediate and the recombination and desorption of hydrogen. This synergistic cooperation at the interface not only promotes the reaction rate but also effectively suppresses undesired side reactions, such as decarbonylation and dehydration, thereby ensuring high selectivity to PyA. The optimized catalyst with a Cu/Co molar ratio of 3:2 demonstrated enhanced performance, delivering 73.4% LA conversion and 78.1% PyA selectivity at 300 °C, which surpasses the results obtained over the CuO 1-x /SiO₂-H400 benchmark under identical conditions. This work provides fundamental insights into the bifunctional mechanism of bimetallic oxides in direct dehydrogenation reactions, offering a strategic guideline for the rational design of efficient and selective catalytic systems for sustainable chemistry.
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Nature Protocols
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2026
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IF 16
Gong Zhenggang,Yang Guangxu,Wu Tong,Wang Mengyao,Yang Jiarui,Lei Zhendong,Shuai Li
Practical lignin valorization strategies have the potential to enhance the profitability of lignocellulosic biorefineries. Leveraging the phenolic structure of lignin, commercially available lignins (for example, kraft, soda or biorefinery lignin) have been extensively studied as renewable substitutes for phenol in the synthesis of lignin–phenol–formaldehyde resin adhesives. However, the large-scale production and adoption of lignin–phenol–formaldehyde resin adhesives remain limited owing to challenges related to appearance, performance and cost. To address these limitations, this protocol outlines a comprehensive process for producing lignin adhesives with light colors, high adhesion properties and superior water and weather resistance. The procedure encompasses: (1) isolation of lignin from various types of biomass pretreatment liquors; (2) screening of high-quality lignins from the isolated lignins; and (3) performance assessment of lignin adhesives prepared directly from high-quality lignins without the need for chemical modification or additional processing. Additionally, this protocol provides a rapid and quantitative method for determining the condensation degree of lignin using a small amount of the isolated lignin sample (~50 mg) within a relatively short experimental time (5 h 20 min). This enables efficient quality evaluation and screening of high-quality lignins derived from different extraction methods and biomass sources. The entire process, from biomass to lignin adhesive fabrication, requires a total of 8 h 10 min and is designed for users with prior experience in biomass fractionation, chromatographic analysis and wood-based panel production.
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FOOD CHEMISTRY
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2026
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IF 10.4
Yukun Yang,Jian Liu,Rong Guo,Baoqing Bai,Tao Bo,Jinhua Zhang,Ligang Yu,Huilin Liu,Ying Zhang,Shuo Wang
A three-channel sensor array based on Au@Pt NPs was constructed. • Au@Pt NPs with dual-function characteristics was designed. • Discrimination of light aroma-type Baijiu (LAB) was achieved. • Different years, production processes, price gradients, and adulterated were analyzed. • This method highlighted simple to operate, rapid in detection. The development of light aroma-type Baijiu (LAB) industry proposes a growing need for developing rapid and accurate discrimination method for the quality control of LAB. This study innovatively constructed a dual-mode three-channel sensor array based on the gold/platinum nanoparticles (Au@Pt NPs) with surface engineering. In this case, two colorimetric sensor channels based on ascorbic acid/para-aminophenol-chloroauric acid-nanozyme (AA/ pAP-HAuCl₄-Au@Pt NPs) and one fluorescent sensor channel based on nanozyme‑hydrogen peroxide- o -phenylenediamine (Au@Pt NPs-H₂O₂-OPD) were established. Experimental results demonstrate the colorimetric and fluorescence mode can accurately quantify four organic acids and three aldehydes in Baijiu, respectively. Samples including 17 different years and 9 different production processes of basic liquors of LAB, 48 different price gradients of commercial LAB, and adulterated LAB were analyzed. Discrimination with an accuracy exceeding 96% by Linear Discriminant Analysis, Hierarchical Cluster Analysis, and leave-one-out cross-validation was achieved. The dual-mode three-channel sensor array is characterized by simplicity, rapidity and accuracy, providing a new idea for the quality discrimination and market regulation of Baijiu.
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ACS Sensors
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2026
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IF 10.9
Peng Xu,Yanlei Guo,Xin Lv,Shuting Wei,Dan Yang,Renquan Guan,Yuxin Wang,Yingmin Teng,Aiceng Li,Huaqiao Tan,Zhongling Lang,Zheng Lou,Lili Wang,Zhao Zhao
The necessity for high-efficiency, low-power room-temperature (RT) ammonia (NH3) sensors is particularly acute in environmental monitoring, industrial safety, and medical diagnostics. However, conventional chemiresistive sensors frequently require elevated temperatures to initiate reactions, leading to high energy consumption and potential safety risks. Inspired by plant photosynthesis, this paper successfully designs a ternary S-scheme heterojunction for a photo-activated RT NH3 sensor. The design effectively mimics the efficient charge transfer process in photosynthesis, thereby significantly promoting the separation and migration of photogenerated carriers and enhancing the sensing performance. Experimental results demonstrate exceptional performance under illumination: a high response value of 1679% (representing a 20-fold improvement over the dark state), rapid response and recovery times of 2.1 s and 1.9 s, respectively, along with outstanding selectivity, excellent stability, and a detection limit as low as 17 ppb. This work demonstrates a novel, efficient RT photo-activated NH3 sensor and provides innovative insights into designing biomimetic, smart gas-sensing materials and devices.
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Molecular Catalysis
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2026
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IF 4.3
Jian-Hui Zheng,Ming-Yu Qi,Zi-Rong Tang
Ni-modified ZnIn 2 S 4 for acid-free photocatalytic ethanol acetalization to 1,1-diethoxyethane and H 2 . • Loading the Ni cocatalyst accelerates charge separation, rendering the 1,1-diethoxyethane production rate 14.52 times higher than that of the blank ZIS, while maintaining nearly 100% selectivity. • The acetalization proceeds through the synergistic cooperation of in-situ generated protons and surface Lewis acid sites. Semiconductor-catalyzed acceptor-free dehydrogenative coupling of alcohols has emerged as a promising route for the artificial photosynthesis of high-value acetals. However, competitive activation of O–H and C–H bonds in alcohols causes uncontrolled generation of highly reactive radicals, making it challenging to achieve highly selective acetals production. Herein, we fabricate an efficient photoredox system based on Ni-modified ZnIn 2 S 4 (ZIS), which enables highly selective, acid-free C–O coupling of ethanol to 1,1-diethoxyethane (DEE) with concurrent H 2 evolution. Experimental results demonstrate that Ni modification optimizes the surface electron transport kinetics of ZIS while maintaining excellent DEE selectivity. The in situ-generated protons derived from ethanol dehydrogenation serve as a self-supplied proton source, driving the acetalization between the acetaldehyde intermediate and ethanol, facilitated by Lewis acid sites on the ZIS surface. This work offers some mechanistic insights and rational catalyst design guidelines for acid-free photocatalytic acetal synthesis, thereby enabling the coproduction of value-added chemicals and solar H 2 fuel. Download: Download high-res image (157KB) Download: Download full-size image
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FOOD CHEMISTRY
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2025
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IF 9.8
Wenhui Dong,Rui Feng,Jiaqi Pang,Kaiyue Wei,Jiao Li,Jianan Sun,Sai Wang,Xiangzhao Mao
Monitoring the freshness of aquatic foods is essential to ensure their quality and safety. Hypoxanthine (Hx), degraded from adenosine triphosphate, emerges as an early indicator during shrimp spoilage. There is no paper-based biosensor to monitor shrimp freshness via Hx detection. This study reports for the first time a colorimetric paper-based biosensor enabled by smartphone and a dual-enzyme system. NiPt nanoparticles (diameter of 2.45 ± 0.52 nm) was developed as peroxidase-mimic nanozyme and combined with xanthine oxidase as a dual-enzyme system, and then fabricated with chitosan-modified filter paper as test strip, assisted by smartphone for intelligent analysis. Linear detection range of 18.75 to 600 μM and limit of detection as 9.67 μM were obtained. During real-world applications, the biosensor realized high accuracy, good robustness against interference, and economic viability. This study provides reference for designing intelligent paper-based biosensor for Hx in shrimps as well as other targets in the food chain.
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FOOD HYDROCOLLOIDS
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2025
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IF 12.4
Jilong Lu,Meizhen Xie,Lipin Chen,Yong-Huan Yun
Colorimetric indicators of real-time food spoilage detection are typically fabricated using chromogenic agents or nanoparticles; however, their potential migration into food raises considerable safety concerns. Although structurally colored functional biomaterials, which do not pose such risks, represent promising alternatives, their application in food spoilage detection remains largely unexplored. In this study, a structurally colored chitosan membrane (CSM) was obtained from shrimp shells, and its responsiveness to acids and aldehydes was investigated. Fresh coconut water was used to evaluate the performance of CSM as a colorimetric spoilage indicator. Results indicate that CSM is a mesoporous material with a Bouligand structure and a deacetylation degree of 83.93 %. The specific surface area, average pore volume, and average pore size of CSM were 0.44 m 2 /g, 0.001 cm 3 /g, and 9.67 nm, respectively. CSM exhibited chromatic responsiveness to acids at a low pH of 3 due to the protonation of –NH 2 groups, as well as to aldehydes via the formation of imine bond (C=N). Acid and aldehyde exposure altered the crystalline polymorphism of chitosan in CSM. After 18 h of storage at room temperature, the membrane successfully detected spoilage in fresh coconut water through visible color changes, which can be attributed to the synergistic effects of organic acids and aldehydes accumulated during spoilage. These findings demonstrate the effectiveness of CSMs in detecting food spoilage. To our knowledge, this study is the first to demonstrate the potential application of structurally colored CSMs for detecting food spoilage, offering a novel approach for developing food spoilage indicators.
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TRIBOLOGY INTERNATIONAL
·
2025
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IF 6.9
Guangkai Jin,Bin Liu,Tiantian Wang,Shenghua Xue,Shujuan Liu,Qian Ye
As environmental concerns grow, water has emerged as a recyclable and renewable eco-friendly lubricant with distinct advantages. However, the severe corrosion of friction pairs induced by water-based lubrication hinders its broader application. This study presents a strategy for preparing mercaptobenzothiazole-functionalized carbon dots (N,S-CDs(MBT)) by a one-step hydroxyl-alkylation as water-based lubricant additives. At a concentration of 1.0 wt%, these additives reduce the coefficient of friction by 80.6 % (from 0.474 to 0.092) and the wear volume from 29.81 × 10 5 μm 3 to 7.65 × 10 5 μm 3 . This performance is attributed to the synergistic effect of tribological protective films, amorphous carbon films, and stable hydration layers formed on the friction pairs. Furthermore, N,S-CDs(MBT) efficiently suppress surface corrosion, reducing corrosion current density ( i corr ) by two orders of magnitude when added at 500 mg/L, achieving a corrosion inhibition efficiency up to 98.7 %. This approach effectively mitigates corrosion issues in water-based lubrication, promoting environmental sustainability and industrial application.
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ChemistrySelect
·
2026
·Vol. 11
·期 10
·e07382
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IF 2.3
Tong Zhang,Haiyong Wang,Chenguang Wang,Chen Shen,Qiying Liu
Monohydric alcohols are important platform molecules with diverse applications in organic synthesis, pharmaceuticals, food, and polymer industries. The production of monohydric alcohols via the selective hydrogenolysis of diols holds significant scientific and practical value. However, the precise catalytic control of the cleavage of target C–C and C–O bonds remains an open challenge, which often leads to low yields of the target products. Herein, metal-acid bifunctional catalysts were employed to boost the conversion of diols and improve the production of monohydric alcohols through hydrogenolysis. By regulating key reaction intermediates, a maximum yield of 76.2% for 1-propanol and a total monohydric alcohol yield of 84.9% were achieved within a short reaction time of 1 h. Our investigations demonstrate that the composite system of 5% Pd/C and phosphotungstic acid (HPW) catalyzes the conversion of ethylene glycol (EG) and 1,2-propanediol via a metal-acid synergistic effect, which enables the selective cleavage of C–C and C–O bonds. Ethylene glycol and 1,2-propanediol were thus converted to the monohydric alcohols (ethanol, n-propanol, and isopropanol) through hydrogenolysis and dehydration-hydrogenation processes. Additionally, the reaction order and activation energy barriers for the conversion of diols over the 5% Pd/C catalyst were determined experimentally. This work establishes a preliminary method for the production of monohydric alcohols from the hydrogenolysis of small-molecule diols by 5% Pd/C and HPW catalysts. Given the commercial availability of these catalysts, the developed catalytic system exhibits promising practical application potential and may facilitate the scale-up of this reaction. Graphical A 5% Pd/C–phosphotungstic acid (HPW) composite catalyzes the conversion of ethylene glycol and 1,2-propanediol via metal–acid synergy, enabling selective C–C/C–O cleavage. Hydrogenolysis and dehydration–hydrogenation yield ethanol, n-propanol, and isopropanol. Reaction orders and activation energies were determined, linking mechanistic insights to industrial scale-up for biomass diol upgrading.
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Nature Communications
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2026
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IF 18.1
Chen Pengfei,Liu Xu,He Daoping,Liao Yiju,Li Haozhe,Cheng Jiong,Lu Yichang,Yang Ziming,Yang Yang,Jin Fangming
The nonenzymatic synthesis of organics from H 2 –CO 2 redox couple forms the foundational basis for prebiotic carbon metabolism. However, constructing comprehensive carbon cycling reaction networks with multiple interlinked subsystems preceding enzymatic catalysis remains challenging. Here, we demonstrate that metallic molybdenum sulfide mimicking Mo-S 2 -pterin enzyme drives the construction of hydrothermal CO 2 reaction networks across five carbon sequestration pathways including acetyl-CoA, reductive tricarboxylic acid, 3-hydroxypropionate-4-hydroxybutyrate, dicarboxylate-4-hydroxybutyrate, and ethylmalonyl-CoA pathways. A total of 32 intermediates and end-products are synthesized from CO 2 , encompassing five universal metabolic precursors. Spectroscopic and computational studies reveal that molybdenum sulfide containing Mo 3+ with vacancy-induced distorted octahedral structure promotes the formation of radicals and enhances their adsorption and coupling in aqueous solutions, leading to CO 2 conversion rate of 68.6% and selectivity of up to 70% for C 2+ carboxylates. The metal sulfide-catalyzed multiple CO 2 reaction networks under extreme conditions could function as a prebiotic precursor to ancient and core metabolic pathways.
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