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SENSORS AND ACTUATORS B-CHEMICAL · 2026 · IF 8.3

Machine learning-guided rational discovery of titanium-doped tungsten oxide gas-sensing materials for enhanced ammonia detection

Jun Wang,Kun Zhao,Xiaotong Wang,Zhihao Qu,Sen Tao,Xiankai Li,Weiliang Tian,Kewei Zhang

Tungsten oxide (WO 3 )-based metal oxide semiconductor (MOS) sensors are premier candidates for ammonia (NH 3 ) detection due to their low cost and superior chemical stability. While transition-metal doping effectively modulates sensing performance, identifying the optimal dopant from the vast compositional space remains a trial-and-error bottleneck. Herein, we propose a machine learning (ML)-guided strategy for the rational discovery of high-performance dopants for WO 3 sensors. By leveraging a Random Forest (RF) classifier trained on a rigorously curated dataset, we achieved a high dopant-screening accuracy of 95.8%, identifying titanium (Ti) as the most promising dopant for improving NH 3 response. Guided by the ML predictions, the optimized 3 wt% Ti-doped WO 3 (Ti-WO 3 ) sensor exhibited a response of 16 toward 40 ppm NH 3 at 170 °C, which is approximately 6 times higher than that of pristine WO 3 . Furthermore, the Ti-doped sensor showed markedly accelerated response dynamics, reducing response/recovery time from 170 s / 103 s to 112 s / 45 s, respectively. Moreover, the 3 wt% Ti-WO 3 sensor demonstrated excellent repeatability, high selectivity against interfering gases, and outstanding long-term stability. This work establishes a robust ML-assisted framework for the rational design of advanced gas-sensing materials and offers an efficient route for accelerating the development of high-performance MOS gas sensors.

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POLYMER · 2026 · IF 5.1

Waste-PET-derived rigid–flexible copolyesters with tunable ordered structures and enhanced mechanical and gas-barrier properties

Ai Liu,Yingying Li,Zhengqi Wang,Zhongjuan Zhang,Xubin Wang,Senlin Chai,Xueli Wang,Jianyong Yu,Ruiyun Zhang,Faxue Li,Ruchao Yuan

Poly(ethylene terephthalate) (PET)-based copolyesters are promising materials for engineering films and packaging applications, yet simultaneously improving mechanical toughness and gas-barrier performance remains challenging because flexible comonomers typically increase chain mobility at the expense of ordered chain packing. Herein, a series of waste-PET-derived rigid–flexible copolyesters, P(ET-co-Pedol) n , were synthesized by glycolysis of waste PET to bis(2-hydroxyethyl) terephthalate (BHET), followed by melt repolycondensation with an aromatic polyether diol (Pedol, M n  ≈ 800 g mol −1 ). Combined WAXD, SAXS, DSC, DMA, and rheological analyses revealed that Pedol incorporation regulated the crystallization behavior, thermal transitions, and nanoscale morphology of the copolyesters, producing a rigid–flexible architecture composed of PET-rich ordered domains and Pedol-containing flexible regions. The optimized composition, P(ET-co-Pedol) 6 , maintained WAXD-detectable local ordering while retaining sufficient segmental mobility and melt processability required for film fabrication. In situ variable-temperature SAXS further revealed thermally induced nanoscale structural evolution before the primary DSC crystallization event, suggesting that local ordering or density fluctuation may precede conventional lamellar crystallization in this copolyester system. Consequently, P(ET-co-Pedol) 6 exhibited a tensile strength of 84.2 MPa and an elongation at break of 582.7%, representing increases of 59.7% and 860% relative to neat PET, respectively. Meanwhile, oxygen and carbon dioxide permeabilities were reduced by 63% and 33%, respectively, which is consistent with the combined effects of preserved PET-rich ordered domains, local ordering, film drawing-induced orientation, and increased gas-diffusion tortuosity. Glycolysis–repolymerization further enabled regeneration of the copolyester with approximately 90% tensile-strength retention. These results demonstrate that rigid–flexible segment engineering provides an effective strategy for developing PET-based copolyesters with coupled mechanical toughness, gas-barrier performance, melt processability, and chemical recyclability.

CAS / MDL: 107-21-1
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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Double-layer electrospun fibers with integrated gas-selective and bioactive functions for the preservation of perishable fruit

Wei Liu,Lin Wang,Kunyi Wang,Xinzhi Liang,Ting Liu,Jingxuan Tan,Xiaoyong Qiu,Jingcheng Hao

Double-layer fibers control gaseous microenvironment, suppressing respiration. • Double-layer fibers possesses high selectivity of CO 2 and O 2 . • The dual mechanism—gas regulation and bioactive—prolongs the quality of fruits. Respiration is the primary driver of postharvest deterioration in highly perishable fruits, as both plant tissues and associated microorganisms rapidly consume available nutrients and accelerate quality loss. Modulating the surrounding gaseous environment is therefore critical for mitigating respiration-the most important factor of driving spoilage. In this study, double-layer fiber films with selective gas permeability were developed to regulate O 2 and CO 2 levels within localized microenvironments. Their asymmetric structure established a mildly hypoxic and CO 2 -enriched atmosphere, achieving a gas selectivity of 11.39 ± 0.88 and effectively lowering respiratory intensity. The fibers also provided antibacterial and antioxidative functions, contributing to reduced microbial contamination and oxidative degradation. When applied to litchi, the films extended the effective commercial shelf life to approximately 9 days and significantly delayed overall spoilage throughout a 15-day evaluation period under controlled storage conditions. Beyond their demonstrated efficacy, these fibers show considerable potential for advancing food preservation strategies, offering meaningful opportunities for more sustainable packaging solutions. Their dual-action mechanism—integrating gas regulation with biological active—positions them as a versatile material platform for addressing spoilage challenges in highly perishable fruits. Download: Download high-res image (89KB) Download: Download full-size image

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JOURNAL OF HAZARDOUS MATERIALS · 2026 · IF 10.6

A ZIF-8-based ternary heterostructure gas sensor for monitoring benzene micro-leakage and autonomous robotic inspection

Xuyang Duan,Hao Zhang,Chengyu Zhang,Liang Zhu,Guangbin Li,Zhaogang Zhang,Peng Zhou,Dongzhi Zhang

A Pd-ZnO@ZIF-8 heterostructured benzene gas-sensitive material was prepared. • The benzene sensor has a low detection limit, rapid detection and high stability. • Vision-olfactory robots have achieved intelligent inspection of leakage risks. Benzene (C 6 H 6 ) is a volatile organic compound with strong carcinogenicity, and achieving its rapid and sensitive detection is of great significance for environmental protection and the prevention and control of public health risks. In this study, a ternary heterostructure gas-sensing material composed of Pd-modified ZnO@ZIF-8 was proposed. The pre-concentration effect of ZIF-8, the catalytic sensitization of Pd nanoparticles, and the construction of the Schottky barrier at the Pd/ZIF-8 interface collectively endow the sensor with excellent detection performance. This sensor exhibits extremely high sensitivity at 375℃, with a rapid detection speed (response/recovery time of 2 s/2 s) and an extremely low detection limit (capable of reaching the ppb level). Meanwhile, based on this sensor, a pipeline condition monitoring platform was developed. On the mobile end, online monitoring of benzene leakage and graded early warning were realized. Furthermore, this detection system is integrated with robots. Through a combined olfactory and visual detection method, it enables intelligent inspection of the risks of gaseous and liquid benzene leakage. Therefore, the proposed Pd-ZnO@ZIF-8 sensor and its integrated monitoring platform offer a reliable and efficient solution for real-time benzene leakage detection, holding great promise for enhancing industrial safety and public health protection. Download: Download high-res image (236KB) Download: Download full-size image

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SENSORS AND ACTUATORS B-CHEMICAL · 2026 · IF 8.3

Effect of solvothermal temperature on the surface chemical properties and triethylamine gas-sensing performance of In₂O₃

Dongmin An,Zihao Yu,Wansheng Tang,Hengbin Cao,Mengying Long

In₂O₃ microstructure and surface chemistry was regulated by solvothermal temperature. • 160 °C-In₂O₃-based sensor exhibited a high TEA response of 123.58 at 170 °C. • Abundant chemisorbed oxygen endowed In₂O₃ with superior TEA-sensing ability. • DFT calculations confirmed that oxygen vacancies strengthen the adsorption of TEA on In₂O₃. In this work, a series of In₂O₃ nanomaterials were synthesized via a solvothermal method at 120, 130, 160, and 190°C, and the effects of solvothermal temperature on their crystal structure, surface properties, and triethylamine (TEA) gas-sensing performance were comprehensively investigated. The results showed that the In₂O₃ sample obtained at 160°C delivered the maximum response (123.58) to 50 ppm TEA at the optimal operating temperature of 170°C, together with superior selectivity and long-term stability. Structural characterization revealed that the solvothermal temperature significantly influenced the grain size, surface morphology, and surface adsorbed oxygen content of the samples. Compared with the other samples, the 160 °C-In₂O₃ sample possessed an moderate grain size, a relatively uniform mesoporous structure, and a higher concentration of chemisorbed oxygen species, which facilitated gas diffusion and surface reaction processes. Furthermore, density functional theory (DFT) simulations indicated that oxygen vacancies could enhance the adsorption capability of TEA molecules, thereby promoting the gas-sensing reaction. These findings demonstrated that an appropriate solvothermal temperature could effectively regulate the surface structure and gas adsorption characteristics of In₂O₃, providing valuable guidance for the design of high-performance TEA gas-sensing materials. Download: Download high-res image (97KB) Download: Download full-size image

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JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY · 2026 · IF 4.4

Microwave-assisted NH4Cl gas-template engineering of hierarchically porous g-C3N4 nanosheets for enhanced photocatalytic antibiotic degradation

Jiang Meng,Jiayang Wu,Xiaoning Lu,Mengchen Zeng,Shunxu Yang,Junling Yang,Shuping Li,Meizi Zhou,Wanxun Li,Mingchao Zhu,Guangcan Zhu

NH₄Cl gas template creates hierarchically porous g-C₃N₄ via one-step microwave synthesis. • 10 g-GCN achieves 2.35× increased surface area (26.09 m 2  g −1 ) and 88% CFS degradation. • Porous structure shortens charge migration paths and enhances mass transfer. • O₂ − dominates the degradation; ·OH plays a larger auxiliary role than in etching systems. • ECOSAR warns of high-toxicity intermediates requiring complete mineralisation. Graphitic carbon nitride (g-C 3 N 4 ) is a promising metal-free photocatalyst for water purification, but its low surface area and poor mass transfer in densely stacked layers limit practical performance. Herein, a microwave-assisted gas-template strategy using ammonium chloride (NH 4 Cl) was employed to prepare hierarchically porous g-C 3 N 4 nanosheets (GCN). During microwave-driven polycondensation of melamine, NH 4 Cl decomposed in situ to release NH 3 and HCl gases, which simultaneously disrupted the lamellar stacking and generated abundant mesopores without requiring a separate solid-template removal step. The optimised 10 g-GCN exhibited a specific surface area of 26.09 m 2  g −1 , 2.35 times higher than pristine g-C 3 N 4 , and a pore volume of 0.190 cm3 g-1. Under visible-light irradiation, 10 g-GCN degraded 88% of cefotaxime sodium within 60 min, with an apparent pseudo-first-order rate constant of 0.03242 min −1 , 4.16 times that of bulk g-C 3 N 4 . The enhanced activity is correlated with the porous nanosheet architecture, which is associated with shortened charge-migration distances, enhanced pollutant diffusion, and increased accessibility of active sites. Radical-trapping experiments confirmed superoxide radicals (·O 2 − ) as the dominant reactive species, while hydroxyl radicals (·OH) may be generated as a minor supplementary species through the electron-driven cascade reduction of O 2 . The degradation efficiency decreased from 88% to 79% after five cycles (approximately 90% of the initial efficiency retained), and the catalyst showed broad-spectrum degradation towards cephalosporin and non-cephalosporin antibiotics. LC-MS identified pathways including de-esterification, side-chain cleavage, beta-lactam ring opening, and fragmentation towards mineralisation. TOC confirmed 28.0% mineralisation, while ECOSAR indicated that some intermediates may still exhibit elevated aquatic toxicity, highlighting the need for sufficient mineralisation in practical treatment scenarios.

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Energies · 2026 ·Vol. 19 ·期 8 ·1997 · IF 3.9

Microfluidic Investigation on the Seepage Mechanism and Development Strategy Optimization of Water/Gas Flooding in Carbonate Reservoirs

Yujie Gao,Qianhui Wu,Lun Zhao,Wenqi Zhao,Junjian Li

Carbonate reservoirs exhibit complex combinations of pores, fractures, and vugs, and their strong heterogeneity makes pore-scale displacement mechanisms and recovery enhancement difficult to predict. In this study, six microfluidic glass-etched models representative of pore-type, vuggy, and fracture-pore carbonate reservoirs were designed from cast thin sections of the S oilfield. Experiments were conducted to investigate the effects of different factors on microscopic displacement behavior and residual-oil distribution. The results show that microscopic residual oil in carbonate reservoirs mainly occurs as film flow, droplet flow, columnar flow, multi-pore flow, and cluster flow, with cluster flow dominating the late stage of development in all model types. Under waterflooding, pore-type reservoirs exhibit the most uniform sweep and the highest recovery factor (44.26%), whereas vuggy reservoirs readily develop preferential flow channels and show the lowest recovery factor (41.58%). For fracture-pore reservoirs, injection perpendicular to the fracture provides the best performance, and wider or denser fractures improve displacement efficiency. Compared with gas flooding, waterflooding increases recovery by 10.48% in pore-type reservoirs and by 16.44% in fracture-type reservoirs. High-rate waterflooding and mid-stage flow diversion further improve recovery by 9.05–10.87% and 17.12–19.63%, respectively. These results provide pore-scale evidence for optimizing development strategies for carbonate reservoirs.

CAS / MDL: 85-83-6
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ChemistrySelect · 2026 ·Vol. 11 ·期 18 ·e73395 · IF 2.3

Room-Temperature Ammonia Gas Sensor Based on TiO2 Aerogel With Enhanced Surface Hydroxyl Density: Preparation and Performance

Jiran Liang,Yixuan Zhang,Yingfu Zhang,Xiaoping Gao,Haigang Liu,Qian He

Although TiO 2 aerogel has structural advantages, they often suffer from low sensitivity in NH 3 detection. To improve the response of ammonia (NH 3 ) sensing at room temperature (25°C), this study aims to increase the concentration of surface hydroxyl groups. The sol-gel method and ambient pressure drying are used to prepare TiO 2 aerogel, and the influence of the molar ratio of water in the precursor solution is studied. The results show that when the water molar ratio was 19.7%, the TiO 2 aerogel sensor exhibits a significant response 14.12 to 50 ppm NH 3 . The enhanced sensing response is attributed to the adsorption of NH 3 onto the abundant surface hydroxyl groups via hydrogen bonding. And the aerogel framework provides active sites (e.g., –OH and oxygen vacancies) that favor NH 3 adsorption. This work provides a method to fabricate room-temperature NH 3 sensors with improved performance using TiO 2 aerogels. Compared with previously reported TiO 2 aerogel NH 3 sensors, this work achieves a shortened response time. Despite long recovery time and humidity-induced response suppression, the TiO 2 aerogel structure provides a foundation for future room-temperature NH 3 sensors. Graphical TiO 2 aerogels were synthesized via a sol-gel method followed by ambient pressure drying. The obtained material exhibits short response time and good selectivity toward ammonia (NH 3 ). The structural properties were characterized by XRD, FT-IR, FE-SEM, XPS, and BET. The TiO 2 aerogel shows a response of 14.12 toward 50 ppm NH3, with response/recovery time of 4/140 s.

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ACS Applied Nano Materials · 2026 · IF 5.8

Selective Triethylamine Gas Sensor Based on a CdIn2S4@ZnIn2S4 Heterojunction with a Hydroxyl Radical-Mediated Response Mechanism

Yunpeng Gong,Lijiu Cao,Xu Ma,Yue Hu,Danrui Wei,Zongxing Yu,Haijiao Xie,Yufang Chen,Tao Jin

To develop a sensitive and fast-response sensor toward triethylamine (TEA), a CdIn2S4@ZnIn2S4 heterostructure with well-defined nanoscale interfacial features was constructed via a one-step hydrothermal method. The resulting composite exhibits an improved sensing performance compared with the individual components. At 120 °C and 50 ppm TEA, the sensor delivers a response value of 87, with a response ratio S(TEA):S(trimethylamine) of 21.3, and response/recovery times of 19 and 10 s (with the assistance of an external current), indicating high sensitivity and selective response toward TEA. The improved sensing behavior is associated with the heterostructure providing abundant interfacial contact and a suitable surface reaction environment. ESR results suggest the possible involvement of ·OH radicals in the surface reaction process, while molecular simulations provide supportive insights into the reaction pathway, indicating that hydrogen abstraction at the α-C–H site of TEA is thermodynamically feasible. Overall, this work highlights the role of nanoscale heterostructure construction in modulating surface reaction behavior and suggests a feasible strategy for the design of amine-sensitive gas sensors.

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SEPARATION AND PURIFICATION TECHNOLOGY · 2026 · IF 9.1

Gas-liquid guest mixed hydrates in oil-water systems: Multi-method analysis of formation and inhibition behaviors

Yuanyin Wang,Chang Guo,Daoyi Chen,Kai Liu,Lixun Zhang,Yuntao Guan,Mucong Zi

Condensate gas, a key constituent of global natural gas reserves, plays an indispensable role in energy security and carbon neutrality, while its pipeline transport is threatened by gas hydrates formation. However, impact of oil phase on gas hydrates formation and kinetic hydrate inhibitor (KHI) application remains insufficiently explored. This study systematically evaluates the influence of oil phase large guest molecule substances (LGMS) such as cyclohexane and methylcyclopentane, on gas hydrates formation and kinetic inhibition by representative KHIs. The conventional pressure-based kinetic analysis method was proved insufficient in systems involving LGMS. Therefore, a multi-method approach was employed, combining routine gas consumption calculations, thermodynamic analysis, rheological tests for nucleation detection, Raman spectroscopy to reveal hydrate structure composition variation, and controlled dissociation to separate the mixed hydrates. Using this novel approach, results demonstrated that (i) LGMS altered gas hydrate phase equilibria, increasing formation driving force and accelerating hydrate nucleation. (ii) sI-sII or sI-sH mixed hydrates were observed in LGMS systems. In cyclohexane systems, the proportion of sII hydrates initially decreased and then increased, whereas in methylcyclopentane systems, the proportion of sH hydrates steadily increased throughout the formation process. (iii) LGMS promoted hydrates formation in water systems and reduced the inhibition efficiency of KHI. The effect of cyclohexane was particularly pronounced, while Inhibex 501 showed minimal sensitivity to the presence of LGMS. This study provides new insights into the kinetics of gas hydrate formation and inhibition in gas-liquid guest systems, contributing to improved KHI application strategies for gas hydrate control.

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COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING · 2026 · IF 8.2

Superior gas barrier performance of composites containing synthesized polar epoxidized isobutylene-isoprene rubber and functionalized graphene oxide

Yingdian Li,Pengfei Dai,Shui Hu,Stephen Jerrams,Long Zheng,Shipeng Wen

Isobutylene-isoprene rubber (IIR) is widely used in medical seals and inner tubes due to its remarkable gas barrier properties. However, the absence of polar groups and limited interfacial affinity toward inorganic fillers limit further improvement in its gas barrier performance. Herein, IIR was epoxidized using m-chloroperoxybenzoic acid to obtain epoxidized IIR (EIIR). Graphene oxide (GO) was modified using γ-aminopropyltriethoxysilane and sodium polystyrene sulfonate (PSS) to yield functionalized GO (PSS-mGO). The PSS-mGO was further incorporated into EIIR via solution blending, and the resulting PSS-mGO/EIIR compound was blended with IIR to obtain PSS-mGO/EIIR/IIR composites. The inclusion of EIIR into the IIR matrix introduced epoxy-functionalized segments into the composite, thereby enhancing intermolecular interactions and restricting segmental relaxation. Consequently, the nitrogen permeability of the EIIR/IIR composites decreased by 42.1% relative to that of the IIR composite at an EIIR/IIR mass ratio of 1:9. Further incorporation of PSS-mGO improved filler dispersion and formed a well-developed filler network. A more tortuous diffusion pathway for gas molecules was created, reducing nitrogen permeability by up to 52.2% relative to that of the IIR composite. The results demonstrate that combining EIIR and functionalized GO is an effective strategy for improving the gas barrier performance of IIR composites.

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AICHE JOURNAL · 2026 · IF 4.4

Hydrophobic porous ionic liquids for efficient CO2 capture and conversion from humid flue gas under ambient conditions

Zixuan Xu,Qing Zhao,Huiqin Xu,Hang Li,Jincheng Yu,Yuxiao Xu,Youting Wu,Xiaomin Zhang

Here, we propose the hydrophobic porous ionic liquids (PILs) for CO 2 capture and conversion from humid flue gas. Specifically, silver was introduced onto the surface of ZIF-90 and the resultant material was incorporated into the hydrophobic ionic liquids (ILs) to form Type III PILs. The obtained LADDA-PIL exhibited an exceptional CO 2 absorption capacity and CO 2 /N 2 (15/85) selectivity of 2021, surpassing nearly all previously reported porous liquids. Dynamic breakthrough experiments confirmed that LADDA-PIL successfully captured CO 2 from humid flue gas. Moreover, the π-interaction between silver in LADDA-PIL and the alkynyl group enabled high-yield carboxylative cyclization of CO 2 with propargylic alcohols at ambient temperature. Density functional theory calculations and molecular dynamics simulations revealed that the hydrophobic ILs act as an effective H 2 O barrier, while the  NH 2 moiety of the ILs facilitates CO 2 transport and conversion. This study offers a promising strategy for energy-efficient carbon capture under humid conditions.

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