Journal of the Taiwan Institute of Chemical Engineers
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2025
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IF 6.3
Juncheng Jiang,Hang Yao,Jialei Huang,Zhiquan Chen,Lei Ni,Yong Pan
Background: Nitro-m-xylene (NMX) is a critical raw material and intermediate widely used in the synthesis of fine chemical products and energetic materials. A clear understanding of the thermal hazards and safety performance of NMX is especially critical for practical applications in chemical processes. Methods: Calorimetric experiments combined with theoretical chemical calculations were applied to investigate the thermal decomposition and kinetic behavior of NMX. Significant findings: The average apparent activation energies for the decomposition of NMX, the nitration products of m-xylene, calculated using the DAEM, Starink and Friedman methods were 141.1 kJ/mol, 141.4 kJ/mol and 144.9 kJ/mol, respectively. The most probable decomposition mechanism functions were determined by the master plots method at conversions of 0.05–0.50 and 0.50–0.95 for modes A4 and F2, separately. Furthermore, calculations of thermal safety and thermodynamic parameters revealed the excellent thermal stability of the nitration products, which require an external heat source to trigger decomposition. The C-NO 2 bond was identified as a possible initial decomposition site for 4-NMX by theoretical bond order and dual descriptor analysis. The possible decomposition pathways for 4-NMX were deduced by density functional theory, and alkyl compounds were the main gaseous products, followed by small molecules containing O and N.
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ANALYTICA CHIMICA ACTA
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2025
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IF 6
Lei Hu,Junkai Hao,Ruhui Shang,Huitian Zhi,Xujie Wang,Yingchao Yang,Hanning Song,Chenxi Li,Juan Yu,Zhengquan Yan
Background Environmental safety and protection is accordingly one of the hottest issues to be concerned nowadays. Among all the chemicals to be monitored urgently, aminophenol and luminol are both quite hazardous but widely utilized in the fields of chemical industry, medicine, scientific research, chemical sensing, and so on. Although some reported ways could detect them satisfactorily, few reports could be found for portable visual monitoring and degradation of aminophenol and luminol, using only one sensor to judge the degradation degree as well. Results Fe-doped-Ce oxide modified chitosan fiber (Fe–Ce ox@CF) was developed by microwave-assisted hydrothermal method. By virtue of the excellent physical and chemical performance of carboxylated chitosan and its synergistic effect, Fe–Ce ox@CF possessed prominent oxidase-mimic activity to catalyze over 94 % luminescent luminol into dicarboxylic acid at room temperature. When utilized to accelerate the oxidization of ABTS, K m / V max were 0.0403 mM/2.327 × 10 −8 M s −1 . Especially, ultra-trace m -aminophenol ( m -AP) could exclusively alter the color of Fe–Ce ox@CF-ABTS from green to purple-red with remarkable visibility. Under the optimized conditions, there exhibited an excellent ratiometric colorimetric linear relationship between lg( A 515 / A 730 )/lg( A 515 / A 415 ) and c m -AP , and a fluorescent one between ΔF 427 and c luminol with detection limits (LOD) of 2.0 × 10 −9 M and 5.6 × 10 −9 M respectively. Especially, the red-green-blue (RGB) values got by a common smartphone also possessed good linear relationships with LODs of 1.7 × 10 −8 M and 1.34 × 10 −8 M. Significance This work represents the first oxidase-mimic based sensing system for potable and quantitative degradation of luminol and visual detection of m -aminophenol as well with the help of smartphones. It will also shed promising light on modified natural carbohydrate polymer-based sensors by non-destructive self-assembly and further application in practices.
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CHEMICAL ENGINEERING JOURNAL
·
2024
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IF 13.3
Xinyuan Zhou,Qiyan Sun,Xinlin Wang,Ruixue Zhang,Bin Li,Zexing Wu,Dehong Chen,Lei Wang,Guang-Rui Xu
Synthesis of cost-effective electrocatalysts for oxygen reduction reaction (ORR) has received wide attention due to their sluggish kinetics, which limits the development and application of fuel cell technique. In this work, we report a versatile synthetic approach to prepare a series of small-sized Ag@MNi (M = Pd, Pt, Rh, Ru) nanocrystals with core–shell structures by a simple solvothermal method. According to characterization analysis, surface segregation of Pd was proved in the outermost layer with the Pd-rich shell layer, which can regulate the adsorption energy of *OH. Electrochemical results show that the onset potential and half-wave potential of Ag@PdNi nanocrystals (Ag@PdNi NCs) are 1.005 and 0.913 V vs. RHE (reversible hydrogen electrode), respectively, with a Tafel slope of 55.31 mV dec -1 and strong ORR catalytic durability, which is similar to Ag@MNi (M = Pt, Rh, Ru) NCs and slightly higher than that of PdAg alloy nanoparticles (PdAg alloy NPs), PdNi alloy nanoparticles (PdNi alloy NPs), commercial Pd black and even commercial Pt/C, in alkaline medium. Density Functional (DFT) calculations show that the presence of Ag core effectively promotes the segregation of Pd atoms to the outer shell surface, where Ni provides better segregated substitution sites for Pd, which significantly improves the ORR activity and durability due to the electronic synergistic effect between Ag core nuclei and Pd shell can reduce the adsorption strength of OH ads .
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POLYMER COMPOSITES
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2024
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IF 4.8
Lingyuan Liao,Wenhong Ruan,Mingqiu Zhang,Weihao Li,Musong Lin
Incorporation of boron nitride (BN) into polymers is a promising method to obtain composites with high thermal conductivity, low dielectric constant ( D k ), and dielectric loss ( D f ), while the practical applications are limited by the poor interface between BN and polymer because of surface energy mismatch and absence of covalent bond connection between them. Herein, polydopamine (PDA) with good adhesion is deposited onto the BN. Then, a different amount of silane coupling agent containing vinyl reactive groups is grafted onto PDA-coated BN. In this way, the surface energy of modified BN (m-BN) can be adjusted to ensure BN contacts well with polymers. Moreover, reactive groups were introduced on BN for further reaction. Subsequently, covalent bonds between the m-BN and the polyphenylene oxide (PPO) were established in situ during the curing process. The effects of the m-BN surface energy on interface quality and thermal conductivity of composites are investigated. The m-BN/PPO composite achieves a through-plane thermal conductivity of 5.87 W/m · K and a low D f value of 1.53 × 10 −3 , as well as a low coefficient of thermal expansion (CTE) value (7.8 ppm/K) when the m-BN loading is 32.6 vol%. This research provides a simple and efficient strategy for fabricating high-performance composites for high-frequency applications. Highlights Hexagonal boron nitride was modified successfully by combining non-covalent and covalent modifications. Regulating surface energy and establishing covalent bonds enhances interface interaction between BN and polyphenylene oxide. Modified BN/polyphenylene oxide composites display improvements in thermal conductivity and dimensional stability as well as dielectric loss. Provides a feasible strategy for designing polymer composites with high thermal conductivity, dimensional stability, and low dielectric loss for 5G applications.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2025
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IF 3.9
Jing Bai,Wencheng Chen,Freeman Bwalya Kabwe,Xutao Shang,Guozhen Lin,Qian Jiang,Chenguang Wang
Amid growing global energy demands and the imperative to reduce carbon emissions, sustainable aviation fuel (SAF) production via Fischer–Tropsch (FT) synthesis has emerged as a pivotal solution. This study focuses on enhancing the selectivity of C8–C16 hydrocarbons for jet fuel through the integration of mesopore confinement effects and acid hydrocracking by developing novel Co/M-TUD-1 catalysts with a uniform, continuous three-dimensional mesoporous architecture. Utilizing sol–gel and melt infiltration methods for catalyst preparation and incorporating metals such as Al, Zr, La, and Ce, we explored how different supports influence FT synthesis outcomes. Characterization techniques, including N2 physisorption, H2-TPR, XRD, NH3-TPD, and Py-FTIR, were employed to understand the physicochemical properties of these catalysts. Experimental results demonstrated significant improvements in jet fuel selectivity, achieving up to 51.3% selectivity and a productivity of 174.7 g/kgcat/h with the Co/Al-TUD-1 catalyst. Further optimization through adjustment of reaction conditions confirmed the potential for industrial-scale SAF production, offering a cleaner, more sustainable approach to addressing fossil fuel shortages.
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PROGRESS IN SOLID STATE CHEMISTRY
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2025
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IF 10.5
Zhiwei Wang,Yinan Shen,Liangsheng Tian,Suwit Suthirakun,Wongsathorn Kaewraung,Qi Menghang,Hang Zhao,Xin Xin,Ruoxiu Xiao,Peng Jiang,Qu Li,Tingting Lu
The coating optimized with high near-infrared reflectance pigments can effectively reduce the energy consumption for heating and cooling in buildings, thereby alleviating the pressure on global energy consumption. Using a high-temperature solid-state method, blue-violet pigments with high near-infrared reflectance, Ca 2 Zn 1- x M x Si 2 O 7 (M = Mn, 0 ≤ x ≤ 0.4 and Ni, 0 ≤ x ≤ 0.2) solid solutions, were synthesized for the first time, with a maximum solar reflectance of 82.67%. Using XPS analysis, it was determined that the oxidation state of Ni in the pigment is +2, while Mn exists in mixed oxidation states of +2 and +3. UV-VIS-NIR spectroscopy analysis indicates that the blue-violet color of the pigment originates from the d-d transitions of the transition metal ions. As the doping concentration increases, the near-infrared reflectance of the pigment decreases. The DFT calculations have also confirmed that the color of pigments originates from transition metal ions. The as-synthesized pigments were incorporated into acrylic to create colored coatings. Improving the near-infrared solar reflectance of the acrylic coating. The excellent high near-infrared solar reflectance and coating property optimization make the synthesized pigment a potential energy-saving coating.
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CHEMICAL ENGINEERING JOURNAL
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2025
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IF 13.2
Bolong Jiang,Zhihe Tan,Nan Jiang,Shuai Wang,Huan Wang,Hua Song,Yanguang Chen
Upgrading biomass pyrolysis oil via hydrodeoxygenation (HDO) is essential to address its low calorific value and instability from high oxygen content. Herein, we describe a facile aqueous-phase synthesis strategy for fabricating an Al-doped mesoporous silica (Al-MS)-supported B-doped Ni metal-acid bifunctional catalyst (Ni-B/Al-MS) using NaBH 4 as the B source. The Al-MS support, characterized by radially gradient pores (expanding from center to periphery) and tunable acidity, is synthesized in aqueous phase with high yield. B doping (electron configuration 2s 2 2p 1 ) enhances acidity, synergistically modulates the electronic structure of Ni, and optimizes the dispersion and exposure of active sites. Notably, the decomposition of NaBH 4 in aqueous solution generates alkaline conditions, which etch silica to form support defects that act as anchors for metallic Ni. Theoretical calculations reveal that this dual modulation reduces the hydrogen dissociation energy by 27.0 % and the C–OH activation (rate-limiting step) energy barrier by 1.91 eV. Under mild reaction conditions (200 °C, 2 MPa H 2 , 1 h), the Ni-B/Al-MS catalyst achieves near-complete m-cresol conversion (99.5 %) and high methylcyclohexane (MCH) selectivity (91.9 %), outperforming most previously reported systems at substantially reduced reaction temperature and time. This work demonstrates the successful integration of atomic-scale modulation (B doping), mesoscale structural control (gradient-pore support), and bifunctional active sites, providing an effective catalytic strategy for green biomass fuel production and fundamental insights into boron's role in enhancing deoxygenation performance.
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CATALYSIS COMMUNICATIONS
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2021
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IF 3.626
Jianan Li,Wenbo Sun,Xinyong Li,Hangfan Ma,Yaxuan Li,Chong Peng
Photocatalysis is an effective means to convert CO 2 and solar energy into high value-added chemicals. Herein, the surface gradient S doped CuCo 2 O 4 microflowers were fabricated by an in situ topotactic engineering strategy. This photocatalyst presented CO 2 photoreduction with a satisfying activity (5 h, 181 μmol) and stability (94.5% retention). Additionally, the theoretical calculations indicated the fomated M-S bond could be favorbale to facilitate the initial CO 2 ⁎ binding and promote the formation of COOH ⁎ intermediates. This work provides a novel strategy for the fabrication of effective photocatalysts and highlights an in-depth understanding of micro-level regulation towards photocatalytic overall performance.
研究领域:
材料科学
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化学
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环境科学
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纳米技术
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MARINE POLLUTION BULLETIN
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2025
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IF 4.9
Jia Shi,Dan Xu,Qiao Ma
p -Chloro- m -xylenol (PCMX), a widely used antimicrobial agent, poses potential ecological risks due to its ubiquitous distribution and documented toxicity to aquatic vertebrates. Although microbial degradation represents a key natural attenuation pathway, the molecular mechanisms governing PCMX biodegradation remain elusive. Here, we report the isolation of three novel Rhodococcus strains from marine sediments capable of mineralizing PCMX. Among these, strain R. ruber SJ-1 completely metabolized 30 mg/L PCMX within 72 h and maintained significant degradation capacity under high-salinity stress. Integrated genomic and transcriptomic analyses revealed that PCMX exposure triggered extensive transcriptional reprogramming in strain SJ-1, with 1063 genes upregulated and 533 downregulated. PCMX inhibited core cellular functions, including key genes related to cell stress resistance, energy production, central carbon metabolism, fatty acid metabolism, and protein biosynthesis. Concurrently, aromatic catabolism pathways were markedly induced. A highly upregulated gene cluster ( sj4821 - sj4838 ) was identified as pivotal for PCMX metabolism, encompassing a flavin-dependent monooxygenase (NphA1-sj, sj4831 ; 2145.26-fold) and catechol 2,3-dioxygenase (C23O, sj4838 , 2052.43-fold) genes. Quantitative PCR assays further validated the upregulation patterns. Based on bioinformatics and high-resolution mass spectrometry analyses, we proposed that strain SJ-1 converted PCMX to 4-chloro-3,5-dimethylcatechol via ortho -hydroxylation, followed by meta -cleavage of the aromatic ring. This study presents the first documented evidence of PCMX degradation by a marine Rhodococcus isolate. Our findings reveal the molecular mechanisms driving PCMX detoxification and cellular adaptation, establishing a foundation for bioremediation in saline ecosystems.
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PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY
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2022
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IF 4.966
Shiran Huang,Ming Huang,Sinuo Tian,Zhiyuan Meng,Sen Yan,Miaomiao Teng,Zhiqiang Zhou,Jinling Diao,Wentao Zhu
Imazalil (IMZ) is a highly effective fungicide employed in crop production. It has been consistently detected in aquatic environments . The main environmental metabolite of IMZ is imazalil-M (IMZ-M). Limited studies have focused on the toxicity of IMZ and IMZ-M in aquatic organisms . This study systematically evaluated the developmental toxicity of IMZ and IMZ-M on zebrafish ( Danio rerio ) embryos and explored the potential mechanisms involved. The results showed that IMZ and IMZ-M caused developmental toxicity, characterized by decreased heart rate, hatching inhibition, and pericardial cyst in zebrafish embryos. Subsequently, acridine orange (AO) staining revealed cell apoptosis in the area around the heart regions of zebrafish larvae. Besides, the expression levels of apoptosis-related genes also varied significantly. Furthermore, 1 H NMR-based metabolomics analysis showed that IMZ and IMZ-M exposure could induce metabolic profiles disorder in zebrafish larvae. Importantly, zebrafish exposure to IMZ and IMZ-M significantly affected the metabolism of branched - chain amino acids, energy, and ketone bodies , which are related to cell apoptosis. Overall, the toxicity of IMZ and IMZ-M in zebrafish embryos and larvae was characterized, suggesting a theoretical basis for the potential environmental risks of IMZ and its metabolite IMZ-M on non-target organisms.
研究领域:
环境科学
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毒理学
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生物化学
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Catalysis Science & Technology
·
2022
·Vol. 12
·期 11
·3670-3684
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IF 6.177
Chunwang Lv,Mingjiang Hu,Tianhao Yuan,Liqiang Yan,Hongwei Chen
The objective of this work was to investigate and contrast the mechanism of different B-site dopants for catalytic activity and sulfur resistance under equivalent conditions. LaCo1−xMxO3 (M = Fe, Cr, Cu) perovskite-type catalysts were synthesized by a sol–gel method, and the optimized samples were tested for toluene oxidation before and after sulfur aging. The properties of the catalysts were investigated in detail by XRD, FT-IR, N2 adsorption–desorption, H2-TPR, XPS and in situ DRIFTS to elucidate the inner mechanisms of the catalytic reaction and poisoning processes. The results indicated that introducing specific metal cations with a suitable ratio into the B-site of perovskite could improve the catalytic activity and weaken the negative effect of SO2 poisoning. The reasons for the improvement of catalytic activity on different doped catalysts are similar and mainly lie in the change of reduction property, oxidation state of the B-site, and content of oxygen vacancies. However, the mechanism of sulfur resistance caused by different dopants is not identical. The introduction of different metal cations will cause certain differences in some factors such as reducibility, lattice stability, sulfur adsorption and sulfate content, thus leading to the differentiation of sulfur tolerance for doped perovskite catalysts. In this study, the optimization effect of Fe dopant is better than that of Cr and Cu dopants, illustrating that the high stability of the perovskite lattice and the insensitivity to sulfur species are the key factors for its outstanding sulfur resistance. The results provide insights into guiding the practical composition and life cycle optimization of perovskite-type catalysts in the industrial application of removing sulfur-containing VOCs.
研究领域:
化学工程
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材料科学
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Open Access Rheumatology-Research and Reviews
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2024
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IF 1.7
Le-Ying Ni,Cheng-Biao Ding,Ji-Min Deng,Zheng-Wei Wu,Yun Zhou
Background Rheumatoid arthritis fibroblast-like synovial cells (RA-FLS) have become the core effector cells for the progression of rheumatoid arthritis due to their “tumor-like cell” characteristics, such as being able to break free from growth restrictions caused by contact inhibition, promoting angiogenesis, invading surrounding tissues, and leading to uncontrolled synovial growth. In recent years, cold air plasma (CAP) has been widely recognized for its clear anticancer effect. Inspired by this, this study investigated the inhibitory effect of CAP on the tumor-like biological behavior of RA-FLS through in vitro experiments.Methods Treatment of RA-FLS with CAP at different time doses (0s, 30s, 60s, 120s). 5-ethynyl-2’-deoxyuridine (EdU) proliferation assay was used to determine the cell viability. Analysis of cell migration and invasion was performed by wound-healing assay, transwell assay and immunofluorescent staining for f-actin, respectively. Flow cytometry technique was used for analysis of cell cycle and determination of reactive oxygen species (ROS). Hoechst staining was used for analysis of cell apoptosis. Protein expression was analyzed by Western blot analysis.Results Molecular and cellular level mechanisms have revealed that CAP blocks RA-FLS in the G2/M phase by increasing intracellular reactive oxygen species (ROS), leading to increased apoptosis and significantly reduced migration and invasion ability of RA-FLS.Conclusion Overall, CAP has significant anti proliferative, migratory, and invasive effects on RA-FLS. This study reveals a new targeted treatment strategy for RA.
研究领域:
风湿病学
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等离子体医学
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细胞生物学
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炎症性疾病
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癌症生物学
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危险品化学品经营许可证（带存储）