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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Vapor–Liquid Equilibrium of Toluene/Heptane and Benzene/Cyclohexane Systems with Biobased Cyrene: Experimental Data and Thermodynamic Modeling

Yaqiong Zhao,Hongwei Kang,Yuming Tu,Qunsheng Li,Chencan Du,Zhongqi Ren

Separation of hydrocarbon mixtures is essential for the efficient utilization of resources in the chemical industry. In this study, we investigated the vapor–liquid equilibrium (VLE) behavior of two binary systems, toluene + heptane and benzene + cyclohexane, and examined the application of the biobased solvent, Cyrene, as an extractant in the ternary systems. The vapor–liquid-phase equilibrium data were correlated by a nonrandom two-liquid (NRTL) model, and the results showed that the addition of Cyrene significantly increased the relative volatility of the two binary systems up to 3, and the deviation of all systems was less than 5%. Compared with conventional organic solvents such as SUL, DMSO, NMP, and DMF, Cyrene not only demonstrated good separation performance but also offered significant advantages in terms of environmental sustainability. The results suggest that Cyrene has great potential as a green alternative for sustainable hydrocarbon separation processes.

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AICHE JOURNAL · 2025 · IF 4

Enhancing aromatic VOCs capture using randomly methylated β-cyclodextrin-modified deep eutectic solvents

Qinghua Liu,Guoxuan Li,Chengmin Gui,Minghao Song,Fei Zhao,Shengchao Yang,Zhigang Lei,Pan Xu

Deep eutectic solvents (DESs) were regarded as promising absorbents in many absorption processes. Here, we use randomly methylated β -cyclodextrin (RAMEB) to further improve the absorption capacity of DESs for aromatic VOCs. We found benzene and toluene vapor pressures obviously decreased after adding 2% RAMEB (molar fraction) to DESs. Dynamic absorption experiments also confirmed this enhancement effect; the dynamic absorption efficiency for benzene and toluene increased by 6.12% and 9.23%, respectively, at a 5 mL/min solvent rate. Water was used to reduce the viscosity of DESs; the humidity and regeneration stability were evaluated experimentally. At the molecular level, the strong host–guest interactions between RAMEB and aromatic VOCs were identified as the main reason for improving the absorption capacity of DESs. Additionally, the roles of hydrogen bond donor and acceptor molecules were analyzed. π–π stacking and CH–π interactions were also identified as significant contributors to the aromatic VOCs absorption process.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Solubility quantification and subzero-temperature phase behavior of ultra-long-chain nonionic surfactants

Lulu Liu,Runxi Wang,Jiuxia Wang,Dianguo Wu,Qiang Chen,Hongyao Yin,Yujun Feng

Hypothesis: The subzero solubility behavior of ultra-long-chain (≥ C 18 ) polyoxyethylene nonionic surfactants remains uncharted. Correlating structural parameters with solubility metrics may reveal how molecular architecture and extreme conditions influence solubility beyond the traditional cloud point (CP) paradigm. Experiments: Three series of ultra-long-chain polyoxyethylene nonionic surfactants, U n C L - M ¯ MPEG , were synthesized, incorporating methoxy polyethylene glycol (MPEG) headgroups of varying molecular weights ( M ¯ MPEG , = 0.35, 0.50, 0.75, and 1.00 kg⋅mol −1 ), alkyl tails of different lengths ( C L , L  = 18, 20, 22, and 24), and degrees of unsaturation ( U n , n  = 0, 1, 2, and 3). Their structures were characterized using 1 H NMR and mass spectrometry, while their solubility in propylene glycol (PG)/water mixtures was evaluated via a UV–vis spectrophotometer. And low-temperatures phase behavior was investigated using DSC, cryo-TEM, polarizing optical microscope (POM), and small-angle X-ray scattering (SAXS). Findings: For the first time, three quantitative relationships were established inPG/water mixtures: PTT1 = 8.7 M ¯ MPEG – 5.6, CP = −3.6  L  + 149.3, and CP = −10.7 n  + 80.4 (where PTT1 denotes phase transition temperature 1). The surfactants U 1 C 22 - M ¯ MPEG , U 1 C 24 –0.35, and U 0 C 22 –0.35 demonstrated a PTT1 below the CP or at subzero temperatures, forming a mixed phase of liquid crystal and surfactant solid or hexagonal phase liquid crystal. Elevated molecular weight of headgroups ( M ¯ MPEG ) and extended tail length ( L ) reduced cryogenic solubility, whereas increased unsaturation ( n ) improved solubility under subzero conditions. These insights advance the fundamental understanding of how surfactant structure governs solubility and offer a strategic framework for developing ultra-long-chain surfactants tailored for subzero applications.

CAS / MDL: 71-43-2
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Journal of Environmental Chemical Engineering · 2025 ·Vol. 13 ·期 6 ·120407 · IF 7.2

N-doping activated carbon cathodes for electro-Fenton regeneration of benzene-loaded activated carbon: Mechanistic insights and performance enhancement

Zhipei Hu,Tianhang Fan,Xiaochun Wang,Erlin Meng,Cuimin Li,Zhonghua Wang,Dong Li,Haiqian Zhao

This work presents a systematic investigation of the electro-Fenton (EF) regeneration of benzene-saturated activated carbon (AC). Particular attention was given to elucidating how pre-adsorbed benzene molecules interfere with O 2 adsorption and the two-electron oxygen reduction reaction (2e-ORR) on AC cathodes, as well as to clarifying the mechanistic role of nitrogen doping (N-doping) in improving regeneration performance. The findings demonstrate that benzene molecules strongly inhibit O 2 uptake and H₂O₂ generation on pristine AC, thereby limiting its regeneration efficiency. In contrast, N-doping markedly enhances both O 2 adsorption and ORR activity in benzene-saturated carbons. Among different nitrogen functionalities, pyridinic nitrogen promotes synergistic benzene-O₂ adsorption and increases H₂O₂ yield. Graphitic nitrogen, although unfavorable for O₂ adsorption, still contributes to H₂O₂ generation. Pyrrolic nitrogen, by comparison, imposes a strong site competition effect that significantly suppresses the 2e-ORR. Notably, ACN-750 deliver superior regeneration efficiency, excellent cycling stability, and lower energy consumption. Overall, N-doping provides a highly effective strategy to boost the EF regeneration of spent AC, offering new opportunities for its efficient reuse and sustainable recycling.

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INDUSTRIAL CROPS AND PRODUCTS · 2025 · IF 6.2

Novel holocellulose porous separator from Camellia Oleifera shells for sodium-ion batteries

Luowen Sun,Jiayi Zhong,Hongyang Zhou,Xiaoqi Liu,Jin Gu,Chuanshuang Hu,Xiuyi Lin

Camellia oleifera shells (COS) are agricultural by-products that commonly discarded and burned, causing pollution to the environment. Due to their high holocellulose content, COS present a promising and cost-effective biomass resource, retaining both cellulose and hemicellulose. Leveraging this potential, holocellulose separators were fabricated via dissolution-regeneration and nonsolvent-based phase separation methods. The obtained holocellulose separator demonstrated a high porosity rate of 68.2 %, good thermal stability (to 190°C) and high ionic conductivity in sodium-ion batteries (2.38 mS/cm). Furthermore, the battery assembled with the holocellulose separator exhibited higher specific capacity and better stability compared to those using glass fiber separators, highlighting its potential for sustainable and high-value applications.

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SEPARATION AND PURIFICATION TECHNOLOGY · 2025 · IF 9

Amino-functionalized MIL-100(Fe) enhanced TNT capture and degradation via synergistic electrostatic attraction and hydrogen bond

Chiyu Wen,Chao Wang,Defang Liu,Zhuo Cheng,Jing Zhao,Hongli Zhang,Jun Wang,Guoxiang Zhu,Yongfa Zhu

Nitro-aromatic compounds constitute predominant explosive materials extensively utilized in military applications and industrial blasting operations. However, the manufacturing, consumption, and decommissioning of these explosives generate significant quantities of wastewater exhibiting both ecotoxicological hazards and explosive potential. Herein, an amino-functionalized MIL-100(Fe) (AFM) catalyst demonstrating simultaneously enhanced explosive capture and degradation is developed. The synergistic interplay of electrostatic attraction and hydrogen bonding between the amino groups of AFM and nitro groups of nitro-aromatic explosive confer exceptional binding affinity. The optimized AFM exhibits a remarkable 2,4,6-trinitrotoluene (TNT) adsorption of 14.93 mg/g, which is 3.6 times of unmodified MIL-100(Fe). In photo-Fenton reactions, the optimized AFM completely degrades TNT within 30 min, and achieves a mineralization efficiency as high as 96.7 %. Moreover, the AFM exhibits excellent stability, retaining a high TNT degradation efficiency of 97.7 % after five consecutive cycles. The currently designed AFM catalyst possessing fascinating explosive affinity and high explosive mineralization efficiency is expected to advance sustainable remediation of high-risk explosive wastewater.

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GREEN CHEMISTRY · 2025 ·Vol. 27 ·期 26 ·7908-7917 · IF 9.2

Transforming polystyrene wastes into aromatic products near ambient temperature with aluminium chloride

Shuying Tian,Jing Dai,Zhengjian Li,Qiqi Wu,Guangxu Chen

Against global resource scarcity and environmental crises, recycling large quantities of discarded polyolefin waste presents an urgent challenge for humanity. However, the thermal degradation of polyolefins, which typically requires high temperatures to cleave the carbon–carbon (C–C) bonds, has been hindered by energy limitations. We present a simple approach that uses inexpensive AlCl3 and dichloromethane to convert polystyrene into aromatics at 40 °C within 3 hours, achieving a polystyrene conversion of over 70 wt%. The Lewis acid catalysts interact with benzene under acidic conditions, promoting the elimination of the C–C backbone to generate carbocations, which subsequently undergo β-scission. The dissolution of polystyrene in dichloromethane increases the reaction interface, thereby enhancing the reaction rate. This study provides a cost-effective approach for the high-value utilization of aromatic rings in polystyrene.

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CELLULOSE · 2025 · IF 4.8

Ultralight and highly efficient wood carbon aerogel for oil/water separation: recyclable via compression and combustion

Zhang Wanqi,Bai Yu,Liu Yiting,Tao Fenbing,Zhang Xiaotao,Wang Ximing

Oil spills and organic solvent discharges pose serious ecological and environmental risks, necessitating the development of highly efficient oil/water separation materials. Herein, we designed and prepared a novel ultra-light aerogel, namely hydrophobic reduced graphene oxide/polyvinyl alcohol@carbon delignified wood aerogel (H-rGO/PVA@CDWA), for this purpose. In particular, we integrated a delignified wood aerogel with graphene oxide (GO) and PVA. Subsequent carbonisation at 500 °C and treatment with methyltrichlorosilane yielded a material that could be recycled through combustion or extrusion. The H-rGO/PVA@CDWA retained the anisotropic three-dimensional pore structure of wood, exhibiting good mechanical properties and fire resistance. The material also showed considerable hydrophobicity (water contact angle = 139.42°) and excellent adsorption capacity towards various oils (6.5041–17.8426 g/g). Notably, the material maintained a high adsorption capacity and satisfactory elasticity after 20 extrusion–adsorption cycles and 10 combustion–adsorption cycles. Furthermore, the material exhibited a high oil/water separation efficiency for various emulsions and a considerable capacity for continuous oil/water separation. The material preparation strategy proposed herein has broad application prospects for wood utilisation in oily wastewater treatment, oil pollution remediation and organic solvent recovery. Graphical abstract

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DALTON TRANSACTIONS · 2025 · IF 3.3

Anchoring Cu sites in a hierarchical single-crystalline ZSM-5 zeolite for enhanced diffusion and benzene oxidation

Xue-Qing Xu,Shen Yu,Xing-Yu Yue,Zhan Liu,Jia-Min Lyu,Yi-Long Wang,Zhi-Yi Hu,Yu Li,Li-Hua Chen,Bao-Lian Su

Phenol is an important intermediate for high value chemicals. Current phenol production via a three-step cumene process causes severe energy-waste and environmental problems. The conversion of benzene to phenol under mild condition can be achieved by oxidation with Cu-based zeolites. However, conventional microporous zeolite suffers from severe diffusion limitation, especially when bulky molecules are involved, such as benzene. In this work, we used a hierarchically macro-meso-microporous ZSM-5 single crystal (Hier-ZSM-5) as substrate for Cu species (Cu@Hier-ZSM-5). Irregular morphology of opal-like Hier-ZSM-5 exhibits abundant surface Si-OH groups and provides a platform for stabilizing Cu2+ sites. Meanwhile, hierarchical porosity provides significantly improved diffusion ability of bulky molecules. As a result, excellent selective oxidation performance of benzene was obtained with the Cu@Hier-ZSM-5, achieving a conversion of 77% and a phenol selectivity of 73%, which is 1.5 times and 2 times of these obtained with a catalyst based on a microporous ZSM-5, respectively. Species of CuOOH were identified as an important intermediate for benzene oxidation. This hierarchical zeolite system with a synergistic effect of site anchoring and molecular diffusion presents an excellent platform for catalyst design.

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WATER RESEARCH · 2025 · IF 12.4

Photodegradation mechanism of organic contaminants mediated by chlorinated algal organic matter

Dong Wan,Chengjie Yu,Yafei Zhao,Gaofei Song,Wujuan Mi,Yuxuan Zhu,Changzi Liu,Yonghong Bi

Algal organic matter (AOM) significantly influences the photochemical behavior of dissolved organic matter in aquatic environments. This study investigated the effects of chlorination on the photophysical and photochemical properties of AOM derived from Microcystis aeruginosa , compared these alterations with those observed for natural organic matter (NOM), and examined their impact on the photodegradation of organic contaminants, with a particular focus on N,N -diethyl-m-toluamide (DEET) as a model substrate. The results demonstrated that chlorination substantially altered the photochemical reactivity of AOM. AOM and NOM exhibit distinct reactivities, reflecting their varied molecular compositions and functional groups. Specifically, chlorination reduced the aromaticity (SUVA 254 decreased by ∼42%) and molecular weight (decreased by ∼30%) of AOM, resulting in a shift of fluorescence peaks to lower wavelengths. It also enhanced the formation of singlet oxygen ( 1 O 2 ) and hydroxyl radical ( • OH). Chlorinated extracellular organic matter (EOM) exhibited a remarkable increase in • OH quantum yield, with a 200-fold enhancement at a high free available chlorine (FAC) dose (FAC/TOC ratio of 2.0). The photodegradation of DEET, involved H-abstraction and hydroxylation by • OH, was significantly accelerated in chlorinated EOM, highlighting the critical role of chlorinated AOM in driving photosensitized degradation processes. The findings emphasized the role of chlorination in altering AOM's photochemical properties, with significant implications for the enhanced transformation of contaminants in natural and engineered aquatic systems.

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TOXICOLOGY · 2025 · IF 4.6

Irf4 participates in benzene-induced hematopoietic senescence through mitochondrial ROS-dependent BCAA catabolism

Ziyan Liu,Jingyu Wang,Wei Zhang,Huiwen Kang,Danyang Huang,Ziyan Wang,Guangyu Jiang,Ai Gao

The continuous accumulation of senescent hematopoietic stem progenitors (HSPCs) contributes to hematopoietic damage. Benzene is a confirmed human carcinogen, and its damage to HSPCs is a key event in benzene poisoning. However, whether the environmental dose of benzene is involved in HSPC damage by inducing cellular senescence has not been reported. Here, male C57BL/6 J mice were exposed to benzene vapour for 12 weeks (0, 10, 50 ppm), and mouse hematopoietic progenitor cell line FDC-P1 was exposed to benzene metabolite 1,4-BQ for 24 h (0, 5, 10 μM). In vivo and in vitro models combined with single-cell RNA sequencing have shown that benzene and its metabolites caused senescence in whole bone marrow and hematopoietic progenitor cells. Proteomics showed that benzene exposure significantly up-regulated interferon regulatory factor 4 (Irf4) in the bone marrow. Irf4 inhibition alleviated cellular senescence and hematopoietic damage, suggesting that Irf4 is a key molecule in benzene-induced hematopoietic cell senescence. Mechanistically, benzene caused a decrease in branched-chain amino acids (BCAAs) in whole bone marrow, hematopoietic progenitor cells, and plasma, and an increase in the BCAA catabolic enzyme Bcat1, mitochondrial ROS, and Bckdh activity. Irf4 inhibition down-regulated Bcat1, alleviated mitochondrial oxidative stress-dependent Bckdh abnormality, and up-regulated BCAAs. BCAA supplementation effectively alleviated benzene-induced cellular senescence and hematopoietic damage. In conclusion, the study identified that Irf4 triggered benzene-induced hematopoietic progenitor cell senescence and hematopoietic damage by mitochondrial injury-induced excessive BCAA catabolism. This study provides new ideas on the molecular mechanism of benzene-induced hematopoietic damage from the perspective of metabolism and senescence.

CAS / MDL: 71-43-2
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ANALYTICA CHIMICA ACTA · 2025 · IF 6

Synergistic Integration of Multidimensional Differential Spectroscopy and Deep Learning for Robust Phenol Monitoring in Complex Industrial Effluents

Junru Zhang,Ying Chen,Junfei Liu,Wanwen Li,Liyong Niu,Qiguang Zhu

Background Phenol is a key chemical intermediate and a common, toxic pollutant found in industrial wastewater from processes like coking and oil refining. Its leakage and discharge lead to significant contamination, posing a dual threat to ecological systems and human health, making its accurate, real-time monitoring paramount. Current detection methods have significant drawbacks. Chemical sensors can have long response times or insufficient accuracy. Standard optical methods like chromatography are cumbersome and ill-suited for rapid, on-site use. Simple UV-Vis spectroscopy is severely compromised by overlapping spectral interference and environmental instability in complex water samples. Results The strategy first leverages phenol's specific bromination to selectively eliminate its spectral signature. A custom dual-channel, variable-path (1-10 cm) system was built to capture this transformation, generating high-dimensional (3D) differential spectral matrices. This 3D data approach reduced the Mean Absolute Error (MAE) by 45.4% compared to conventional 1D spectra (when using the same CNN model). For analysis, a novel Parallel Associative Neural Network (PSNN) was developed, which substantially outperformed a standard CNN by achieving a further 66.7% reduction in MAE. This integrated strategy (3D+PSNN) yielded a final prediction error of 72.09 μg/L under laboratory conditions and an MAE of 172.9 μg/L in field tests against HPLC benchmarks. Significance and Novelty This study presents a novel strategy integrating chemical selectivity, multidimensional optical sensing, and a custom Parallel Associative Neural Network (PSNN). The work provides a robust framework for developing highly selective and sensitive intelligent systems for on-line water quality monitoring. The practicality and stability of this integrated approach in complex environments were validated through temperature control experiments and field tests on real industrial wastewater.

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