RESEARCH ON CHEMICAL INTERMEDIATES
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2015
·Vol. 41
·期 11
·8307-8315
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IF 1.221
You Kuiyi,Zhou Zhongcang,Jian Jian,Deng Renjie,Liu Pingle,Ai Qiuhong,Luo He’an
A simple method for the preparation of dinitronaphthalene from the nitration reaction of 1-nitronaphthalene with NO 2 as nitration reagent under the mild conditions has been successfully developed in this work. The results indicated that Ni(CH 3 COO) 2 ·4H 2 O catalyst shows better catalytic performances, and the conversion of 1-nitronaphthalene is 33.10 % with 34.10, 23.56, 19.30, and 3.56 % of the selectivity to 1,5-DNN, 1,3-DNN, 1,4-DNN, and 1,8-DNN, respectively, under the optimal reaction conditions. This is a mild, environmentally benign, and economical method for the preparation of dinitronaphthalene.
研究领域:
化学
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环境科学
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JOURNAL OF MOLECULAR LIQUIDS
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2022
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IF 6.633
Bolun Mei,Xin Fang,Yi Yu,Yicun Xing,Li Xu,Guoji Liu
The solid–liquid equilibrium data of 1-nitronaphthalene in twelve pure solvents (methanol, ethanol, n -propanol, i-propanol, n -butanol, i-butanol, acetone, acetonitrile, dichloromethane, methyl acetate, ethyl acetate and cyclohexane) were systematically determined by isothermal saturation method in the temperatures ranging from 273.15 K to 308.15 K under atmospheric pressure (0.1 MPa). Molecular electrostatic potential surface and Hirshfeld surface analysis were applied to obtain the visual analysis of crystal structure and the overall charge distribution. The effect of solvent multiple physicochemical factors including polarity, hydrogen bond donor, hydrogen bond acceptor and cohesive energy density of solvent was explored to the solubility behavior. Then the experimental solubility data were correlated by the modified Apelblat equation, λ h equation, Van't Hoff equation and Wilson model, the ARD% was used to check the accuracy of the four equations and the modified Apelblat showed the best fitting. Furthermore, the mixing thermodynamic properties were calculated based on Wilson model, which indicates the dissolution of 1-nitronaphthalene is a spontaneous, endothermic and entropy-driving process. Finally, molecular dynamic simulations were employed to further analyze the dissolution behavior from solute-solvent interaction perspective.
研究领域:
化学工程
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物理化学
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计算化学
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Molecular Catalysis
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2020
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IF 3.687
Huan Fu,Luna Ruan,Jianhua Liao,An Pei,Jun Liu,Li Zeng,Kai Yang,Lihua Zhu,Bing Hui Chen
In this report, the Ni/C sample was successfully prepared at room temperature (RT) by depositing nickel related species on carbon black by a chemical liquid reduction method with hydrazine hydrate as reducing agent, Pt/C was synthesized via a wetness impregnation method. And Pt was supported on Ni/C by galvanic replacement reaction to form PtNi/C bimetallic nanocatalyst. By comparing the catalytic performance of different catalysts for 1-nitronaphthalene hydrogenation, it could be found that the PtNi/C bimetallic nanocatalyst showed higher catalytic activity than monometallic nanocatalysts (Pt/C and Ni/C), exhibiting 100 % conversion of 1-nitronaphthalene, 100 % selectivity to 1-naphthylamine and turnover frequency of 194.9 h −1 under mild reaction conditions (40 min, 30 °C, 3.0 MPa H 2 ). The as-prepared catalysts were characterized by XRD, XPS, HAADF-STEM, STEM-EDX mapping and line-scanning, TG, HRTEM and H 2 -TPD, which proved that PtNi/C showed most outstanding catalytic behaviors in 1-nitronaphthalene selective hydrogenation due to high dispersion of platinum, the nanostructure of Pt-on-Ni-on-Ni(OH) 2 and thus synergism effect among Pt, Ni and Ni(OH) 2 .
研究领域:
催化化学
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材料科学
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CANADIAN JOURNAL OF CHEMICAL ENGINEERING
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2018
·Vol. 96
·期 12
·2586-2592
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IF 1.265
Renjie Deng,Kuiyi You,Fangfang Zhao,Pingle Liu,He'an Luo
In this work, a simple method for the highly selective preparation of valuable dinitronaphthalene from 1-nitronaphthalene employing NO 2 as a nitrating agent has been developed. The results demonstrated that HY zeolite as an eco-friendly and stable catalyst exhibits good catalytic performances. The total selectivity to valuable dinitronaphthalene compounds including 1,5-, 1,4-, and 1,3-dinitronaphthalene can reach 87.6 % in our present nitration reaction. Meanwhile, the physico-chemical properties of catalysts were characterized by XRD, FTIR, TG/DTG, BET, and NH 3 -TPD, and the probable nitration reaction mechanism was also suggested in this paper. The present nitration process seems to be a mild, eco-friendly, and economical route for the preparation of valuable dinitronaphthalene compounds.
研究领域:
化学工程
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催化
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环境化学
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JOURNAL OF HAZARDOUS MATERIALS
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2021
·
IF 10.588
Jiaping Xu,Kai Zhang,Lei Wang,Yiming Yao,Hongwen Sun
Sorption/desorption of two organic compounds (OCs), phenanthrene (PHE), and 1-nitronaphthalene (1-Nnap) on three polar and one nonpolar polypropylene (PP) microplastics (MPs) and earthworm bioaccumulation of MP associated PHE were systematically studied. Poly-butylene succinate (PBS) with the lowest glass transition temperature ( T g ) showed the highest sorption toward PHE and 1-Nnap ( K d : 25,639 ± 276 and 1673 ± 28.8 L kg −1 , respectively), while polylactic acid (PLA) with the highest T g showed the least sorption (182 ± 5 and near 0), confirming that hydrophobic partition was the main driving force of sorption. However, polar interactions also contributed to the preferential sorption of 1-Nnap on polar poly-hydroxyalkanoates (PHA). Moreover, small particle size favored the sorption of MPs and simulated weathering enhanced sorption on MPs with medium/high T g. As for desorption, slight hysteresis was observed in most cases with near-zero hysteresis index (HI), and PHE generally had higher HI than 1-Nnap. The simulated digestive solution could further promote the desorption of PHE. The PHE concentrations in earthworms with the presence of 5% PBS or PP MPs in soil were 1.50–2.35 or 1.59–1.75 times that of the control without MPs; and PBS MPs with the smallest particle size showed the greatest enhancement. The results of this study confirmed that polar MPs could strongly but reversibly sorb both polar and nonpolar OCs and hence promote the bioaccumulation of OCs to soil organisms.
研究领域:
环境科学
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土壤生态学
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污染研究
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PubMed
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JOURNAL OF CHROMATOGRAPHY A
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2024
·
IF 3.8
Qingwen Tao,Pu Ma,Beining Chen,Xiaolei Qu,Heyun Fu
Nitrated polycyclic aromatic hydrocarbons (nitro-PAHs) are pervasive contaminants in aquatic environments. They are characterized by persistence, toxicity, bioaccumulation, and long-range transport, significantly threatening human health. The development of sensitive methods for nitro-PAH analysis in environmental samples is in great need. This study developed a novel carbonaceous SPME coating derived from metal-organic framework (MOF), namely a spherical assembly consisting of carbon nanorods with hierarchical porosity (HP-MOF-C), for the extraction and determination of nitro-PAHs in waters. The HP-MOF-C coated fiber demonstrated superior nitro-PAH extraction efficiencies, with enrichment factors 2∼70 times higher than commercial fibers. This enhancement was due to the strong hydrophobic, π-π electron coupling/stacking, and π-π electron donor-acceptor interactions between the carbonaceous framework of HP-MOF-C and the nitro-PAHs. Moreover, the unique hierarchical porous structure of HP-MOF-C accelerated the diffusion of nitro-PAHs, further facilitating their enrichment. The fiber also exhibited good thermal stability, remarkable chemical stabilities against common acid, base, and polar/non-polar solvents, and long service life (> 150 SPME cycles). The nitro-PAH determination method based on HP-MOF-C coating yielded wide linear ranges, low detection limits (0.4∼5.0 ng L -1 ), satisfactory repeatability and reproducibility, and good recoveries in real water samples. The proposed method was considered to be green according to the Analytical GREEnness assessment. The present study not only offers an efficient SPME coating for the enrichment of nitro-PAHs, but also provides insights into the design of porous coating materials.
研究领域:
环境科学
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分析化学
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材料科学
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WATER RESEARCH
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2024
·
IF 11.4
Jiayue Dong,Peizeng Yang,Deyang Kong,Yiqiang Song,Junhe Lu
Polycyclic aromatic hydrocarbons (PAHs) have become a global environmental concern due to their potential hazardous implication for human health. In this study, we found that sulfate radical (SO 4 •− ) could effectively degrade naphthalene (NAP), a representative PAH in groundwaters, generating 1-naphthol. This intermediate underwent further degradation, yielding ring-opening products including phthalic acid and salicylic acid. However, the presence of nitrite (NO 2 − ), a prevalent ion in subsurface environments, was observed to compete with NAP for SO 4 •− , thus slowing down the NAP degradation. The reaction between NO 2 − and SO 4 •− generated a nitrogen dioxide radical (NO 2 • ). Concurrently, in-situ formed 1-naphthol underwent further oxidization to the 1-naphthoxyl radical by SO 4 •− . The coupling of 1-naphthoxyl radicals with NO 2 • gave rise to a series of nitrated NAP, namely 2-nitro-1-naphthol, 4-nitro-1-naphthol, and 2,4-dinitro-1-naphthol. In addition, the in-situ formed phthalic acid and salicylic acid also underwent nitration , generating nitrophenolic products, although this pathway appeared less prominent than the nitration of 1-naphthol. When 10 μΜ NAP was subjected to heat activated peroxydisulfate oxidation in the presence of 10 μΜ NO 2 − , the total yield of nitrated products reached 0.730 μΜ in 120 min. Overall, the presence of NO 2 − dramatically altered the behavior of NAP degradation by SO 4 •− oxidation and contributed to the formation of toxic nitrated products. These findings raise awareness of the potential environmental risks associated with the application of SO 4 •− -based oxidation processes for the remediation of PAHs-polluted sites in presence of NO 2 − .
研究领域:
环境科学
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化学
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PubMed
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JOURNAL OF HAZARDOUS MATERIALS
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2026
·
IF 10.6
Ruomu Chen,Yumeng Niu,Nan Li,Jingrui Peng,Ziqian Xia,Chenyang Wang,Jiandong Jiang,Kai Chen
Nitro-polycyclic aromatic hydrocarbons (nitro-PAHs) are toxic and persistent environmental contaminants of increasing concern because of their widespread occurrence and ecological risks. Nitronaphthalene, a representative nitro-PAH, occurs as positional isomers, yet microbial degradation studies have mainly focused on 1-nitronaphthalene (1-NN), leaving the basis for biodegradation of 2-nitronaphthalene (2-NN) largely unresolved. In this study, Burkholderia pseudomultivorans M3 was isolated from river sediment in Anhui Province, China, and was found to efficiently degrade both 1-NN and 2-NN, indicating an expanded degradation range for nitronaphthalene isomers. Genome analysis identified a novel nitronaphthalene degradation gene cluster ( nnd ) that is phylogenetically related to reported nin - and nag -type gene clusters but differs functionally from both. Gene knockout and complementation experiments demonstrated that nndAc , encoding the catalytic α-subunit of a Rieske-type dioxygenase, is essential for degradation of both isomers. Heterologous expression and metabolite identification further showed that the NndAB system transforms 1-NN and 2-NN into 1,2-dihydroxynaphthalene via the corresponding nitro-dihydrodiol intermediates, with concomitant nitrite release. Site-directed mutagenesis revealed that the ability of NndAc depends on the coordinated effects of multiple active-site residues, with F200 being particularly important for 2-NN transformation. Moreover, strain M3 maintained substantial removal efficiency in synthetic wastewater containing mixed nitro-, carboxyl-, and hydroxyl-substituted naphthalene compounds, supporting its applicability in complex contaminated matrices. These findings reveal the molecular basis underlying the broadened substrate range of nitronaphthalene degradation and highlight the potential of strain M3 for remediation of wastewater containing mixed substituted naphthalene pollutants.
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ACS Applied Materials & Interfaces
·
2026
·
IF 7.8
Taiping Fu,Zekun Jing,Xinrong Yan,Yongsheng Li,Biye Niu,Zhanpeng Ye,Yufeng Liu,Yakun Guo,Maobing Shuai
Achieving the highly efficient hydrogenation of polycyclic aromatic hydrocarbons (PAHs) under mild temperatures remains a significant challenge. Herein, we report a highly active RuRh alloy catalyst supported on carbon nanofibers (RuRh/CNFs) developed via element screening. This catalyst achieves 100% conversion of naphthalene to decalin within 15 min at room temperature under solvent-free conditions. It exhibits a high turnover frequency (TOF) of 214.2 h–1 at 25 °C (1071 h–1 at 35 °C), significantly surpassing single-metal catalysts. Additionally, a 97% yield of the intermediate tetralin was obtained by fine-tuning the kinetic parameters. The catalyst demonstrates exceptional recyclability and broad substrate universality. Mechanistic studies attribute this performance to the synergistic effect between Ru and Rh, which enhances hydrogen migration and optimizes adsorption energies for substrates and intermediates, providing both theoretical insights and practical validation for the rational design of highly efficient PAHs as hydrogenation catalysts.
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ANALYTICAL CHEMISTRY
·
2021
·
IF 6.986
Yue Lin,Xiu Huang,Yongchun Liu,Dong Cao,Dawei Lu,Zeming Feng,Qian Liu,Zhenyu Lin,Guibin Jiang
Soot is ubiquitous and has large detrimental effects on climate, air quality, and human health. However, identification of soot in carbonaceous media is very challenging due to its nanoscale carbon nature and complex sources. Due to the shortage in the methodology, until now, the fate and health effect of soot particles after inhalation are still poorly understood. Here, we report a new method for label-free identification, quantification, and imaging of soot particles in complex media based on laser desorption/ionization mass spectrometry fingerprinting. We found that soot particles from different origins and with different morphologies showed highly consistent mass spectral fingerprints deriving from peak ratios of small carbon cluster anions (C2––C10–), which enabled both accurate quantification of soot in fine particulate matter (PM2.5) samples and label-free imaging of soot particles in biological media. By using this technique, we tracked and imaged the suborgan distribution of soot particles in mice after exposure to PM2.5. The results showed that the lung is the main target organ for short-term inhalation exposure to soot particles. This study helps to better understand the inhalation toxicology of soot and also provides a practical novel methodological platform for identification, tracing, and toxicological studies of elemental carbon-based nanomaterials.
研究领域:
环境科学
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分析化学
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毒理学
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JOURNAL OF CHROMATOGRAPHY A
·
2021
·
IF 4.759
Jinqiu Li,Bin Zhao,Liying Guo,Zhuo Wang,Chun Wang,Zhi Wang,Shuaihua Zhang,Qiuhua Wu
Three novel hypercrosslinked polymers (HCPs) were synthesized via Friedel-Crafts reaction employing 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene as alkylating agent, and triphenylbenzene, tetraphenylethylene and p -quaterphenyl as the aromatic units, respectively. The prepared HCPs were applied as solid-phase microextraction coatings for direct immersion extraction of polycyclic aromatic hydrocarbons (PAHs) and their oxygenated and nitrated derivatives in environmental water samples. The key factors affecting the extraction efficiency including extraction time, extraction temperature, stirring rate, ionic strength and desorption conditions, were carefully studied. Coupled with gas chromatography mass spectrometry analysis, a new method for determining PAHs and their derivatives was developed. Under the optimized conditions, the limits of detection ( S/N =3) and limits of quantitation (the lowest concentration for quantification) of the method were in the range of 2.5-25.0 and 7.5-75.0 ng L −1 , respectively. The recoveries of spiked samples were in the range of 73.1-118.3% with relative standard deviations less than 13.0%. The developed method was applied for the simultaneous determination of nine PAHs and their derivatives in environmental water samples, showing good accuracy and reliability.
研究领域:
分析化学
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环境科学
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材料科学
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JOURNAL OF CHROMATOGRAPHY A
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2015
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IF 4.169
Chengjiang Zhang,Gongke Li,Zhuomin Zhang
Covalent organic polymers (COPs) connected by covalent bonds are a new class of porous network materials with large surface area and potential superiority in sample pretreatment. In this study, a new hydrazone linked covalent organic polymer (HL-COP) adsorbent was well-designed and synthesized based on a simple Schiff-base reaction. The condensation of 1,4-phthalaldehyde and 1,3,5-benzenetricarbohydrazide as organic building blocks led to the synthesis of HL-COP with uniform particle size and good adsorption performance. This HL-COP adsorbent with high hydrophobic property and rich stacking π electrons contained abundant phenyl rings and imine ( C N) groups throughout the entire molecular framework. The adsorption mechanism was explored and discussed based on π–π affinity, hydrophobic effect, hydrogen bonding and electron–donor–acceptor (EDA) interaction, which contributed to its strong recognition affinity to target compounds. Enrichment factors were 305–757 for six Sudan dyes by HL-COP micro-solid phase extraction (μ-SPE), indicating its remarkable preconcentration ability. Furthermore, the adsorption amounts by HL-COP μ-SPE were 1.0–11.0 folds as those by three commonly used commercial adsorbents. Then, HL-COP was applied as adsorbent of online μ-SPE coupled with high performance liquid chromatography (HPLC) for enrichment and analysis of trace Sudan dyes in food samples with detection limit of 0.03–0.15 μg/L. The method was successfully applied for online analysis of chilli powder and sausage samples. Sudan II and Sudan III in one positive chilli powder sample were actually found and determined with concentrations of 8.3 and 6.8 μg/kg, respectively. The recoveries of chilli powder and sausage samples were in range of 75.8–108.2% and 73.8–112.6% with relative standard deviations of 1.2–8.5% and 1.9–9.4% ( n = 5), respectively. The proposed method was accurate, reliable and convenient for the online simultaneous analysis of trace Sudan dyes in food samples.
研究领域:
分析化学
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食品科学
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PubMed
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危险品化学品经营许可证（带存储）