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SEPARATION AND PURIFICATION TECHNOLOGY · 2022 · IF 9.136

High-performance Fe3O4-terephthalaldehyde magnetic-nanocomposite for removal phenanthrene and 9-phenanthrol: A comprehensive experimental and theoretical analysis

Zhengwen Wei,Yifan Du,Xiang-fei Lü,Wei Wang,Roberta Del Sole,Giuseppe Mele,Zhen-Yi Jiang

Ascribing to the serious environmental and health risks caused by phenanthrene (PENE) and its dangerous degradation intermediate, 9-phenanthrol (9-PENE), solving their contamination problem was extremely urgent. In this work, a novel Fe 3 O 4 -terephthalaldehyde (Fe 3 O 4 -TERE) magnetic nanomaterial was fabricated by introducing aromatic rings onto Fe 3 O 4 nanoparticles through encapsulation and grafting technique. The Fe 3 O 4 core provided convenience for the subsequent recycling and regeneration. The grafted aromatic carbons could act as adsorption active sites to form π–π interaction with PENE/9-PENE’s aromatic rings, thus improving the capture performance. The properties of the prepared magnetic nanomaterials were investigated via multiple characterization techniques. As expected, the Fe 3 O 4 -TERE could be utilized for effectively reducing the contamination risk of PENE and 9-PENE. Furthermore, the Fe 3 O 4 -TERE possessed with excellent regeneration performance. The abundant homogeneous reaction sites of Fe 3 O 4 -TERE provided possibility for the monolayer adsorption of PENE and 9-PENE. There were multiple microscopic interactions and driving forces jointly or individually participated the multi-stage adsorption reaction. Moreover, density functional theory calculations not only analyzed the validity and existence form of the π–π interaction under different adsorption configuration modes, but also provided deeply perspectives related to the microscopic bonding mechanism. This work proposed a promising fabrication strategy for magnetic nanomaterials used for removing and remediation of polycyclic aromatic hydrocarbons contamination, as well as provided profound theoretical perspectives for analyzing the adsorption mechanism.

研究领域: 环境科学 · 材料科学 · 理论化学
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JOURNAL OF HAZARDOUS MATERIALS · 2023 · IF 13.6

Quantifying the roles of thermal volatilization and decomposition in microwave remediation of polycyclic aromatic hydrocarbon–polluted soil and modeling remediation effectiveness

Jibao Deng,Hefei Wang,Yan Su,Ke Shen,Xuwen Chen,Xian Zhou,Xiaojie Hu,Yanzheng Gao

Microwave irradiation is a promising technology for the remediation of soil contaminated by organic contaminants . However, the roles of volatilization and decomposition in microwave removal of polycyclic aromatic hydrocarbons (PAHs) in soil have not yet been quantitatively determined. A model describing the removal efficiency of benz(a)anthracene (BaA) at different treatment times and varied conditions was constructed, wherein BaA removal efficiency was positively and linearly correlated with soil temperature . BaA removal in soil was attributed to thermal volatilization (97.8%) and decomposition (2.2%). Radicals such as ∙OH and ∙O 2 − were found to initiate BaA decomposition, the pathway of which was elucidated through HPLC-MS analysis, revealing benz(a)anthracene-7,12-dione as the main intermediate product. The new ideas and perspectives founded in this study offer theoretical support for microwave remediation of organic compound–contaminated sites.

研究领域: 环境科学 · 污染控制 · 化学工程
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JOURNAL OF HAZARDOUS MATERIALS · 2020 · IF 9.038

Metabolic interactions in a bacterial co-culture accelerate phenanthrene degradation

Shanshan Sun,Haizhen Wang,Kang Yan,Jun Lou,Jiahui Ding,Shane A. Snyder,Laosheng Wu,Jianming Xu

A highly eff ;ective phenanthrene (PHE)-degrading co-culture containing Rhodococcus sp. WB9 and Mycobacterium sp. WY10 was constructed and completely degraded 100 mg L −1 PHE within 36 h, showing improved degradation rate compared to their monocultures. In the co-culture, strain WY10 played a predominant role in PHE degradation. 1-hydroxy-2-naphthoic acid was an end-product of PHE degradation by strain WB9 and accumulated in the culture medium to serve as a substrate for strain WY10 growth, thereby accelerating PHE degradation. In turn, strain WY10 degraded PHE and 1-hydroxy-2-naphthoic acid intracellularly to form phthalate and protocatechuate that were exported to the culture medium through efflux transporters. However, strain WY10 cannot take up extracellular phthalate due to the absence of phthalate transporters, restricting phthalate degradation and PHE mineralization. In the co-culture, phthalate and protocatechuate accumulated in the culture medium were taken up and degraded towards TCA cycle by strain WB9. Therefore, the metabolic cross-feeding of strains WB9 and WY10 accelerated PHE degradation and mineralization. These findings exhibiting the synergistic degradation of PHE in the bacterial co-culture will facilitate its bioremediation application.

研究领域: 微生物学 · 环境科学
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BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY · 2016 ·Vol. 97 ·期 5 ·689-694 · IF 1.191

Biodegradation of Phenanthrene by Pseudomonas sp. JPN2 and Structure-Based Degrading Mechanism Study

Jin Jingnan,Yao Jun,Zhang Qingye

The strain Pseudomonas sp. JPN2 had a high potential to degrade phenanthrene degrading 98.52 % of the initial amount of 100 mg L −1 after 10 days incubation. The analysis of metabolites demonstrated that the cleavage of phenanthrene started at the C 9 and C 10 positions on the aromatic ring by the dioxygenation reaction, and then further degraded via a phthalate pathway. To understand the interaction between phenanthrene and the amino acid residues in the active site of the target enzyme, a molecular docking simulation was performed. The results showed that the distances of C 9 –O 1 and C 10 –O 2 atoms were 3.47 and 3.67 Å, respectively. The C 9 and C 10 positions of the phenanthrene ring are much closer to the dioxygen molecule in the active site relative to the other atoms. Therefore, the C 9 and C 10 positions are vulnerable to attack in the initial oxygenation process.

研究领域: 环境微生物学 · 生物化学 · 分子生物学
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SCIENCE PROGRESS · 2024 · IF 2.6

Toxicological effects of dimethlybenzeneanthracene in Balb C mice and pharmacological intervention by silk sericin–conjugated silver nanoparticles

Samaira Mumtaz,Shaukat Ali,Asim Pervaiz,Uzma Azeem Awan,Tooba Nauroze,Lubna Kanwal,Muhammad Summer,Shumaila Mumtaz,Tafail Akbar Mughal,Hafiz Muhammad Tahir

Polycyclic aromatic hydrocarbons (PAHs) such as 7, 12-dimethylbenzneanthracene (DMBA), due to long-term bioaccumulation cause serious physiological processes and behavioral dysfunctions such as cancer, ageing, and hypertension. Silk sericin (SS) is instrumental in cancer applications due to presence of flavonoids and carotenoids which are natural pigments, present in the layer of sericin that has antioxidant and antityrosinase activity. It reduces oxidative stress and suppresses cancer cytokines while interacting with reactive oxygen species (ROS) to stand against lipid peroxidation. Recent research was focused to calculate the pharmacological intervention of sericin-conjugated silver nanoparticles (S-AgNO3 NPs) against DMBA-induced toxicity. For this purpose, SS protein was extracted from silkworm cocoons by degumming process and the prepared S-AgNO3 NPs via a green synthesis. In female albino mice, a total of 50 mg/kg oral administration of DMBA was used for the induction of toxicity which required almost 8 to 10 weeks approximately. After 60 days of experimentation, mice were dissected, blood samples were collected for further hematological and biochemical analysis and were euthanized via cervical dislocation. There was a significant rise in the level of red blood cells, platelets, lymphocytes, and hemoglobin at the highest applied concentration of sericin and its nanoparticles. Similarly, a reasonable decline was observed in the level of white blood cells, neutrophils, eosinophils, and monocytes as compared to the cancer-inducing group. The level of glutathione, lactate dehydrogenase, and alkaline phosphatase as well as immunoglobulins such as immunoglobulin A (IgA), immunoglobulin G (IgG), and immunoglobulin M (IgM) were significantly reduced in all treatment groups as compared to the DMBA-induced group. Substantial effects were demonstrated in response to S-AgNO3 NPs II (T) at the highest concentrations (200 mg/kg, BW) as follows: glutathione (2.42 ± 0.26 μmol/L), lactate dehydrogenase (493.6 ± 5.78 U/L), alkaline phosphatase (158.4 ± 6.35 U/L), IgA (4.22 ± 0.19 g/L), IgG (70 ± 1.70 g/L), and IgM (4.76 ± 0.12). The histopathological study of the liver, kidneys, and brain revealed that the DMBA-induced group showed cytotoxic effects against all selected organs of mice that were recovered by treatment of selective compounds but highly effective recovery was seen in S-AgNO3 NPs II (T). These results concluded that silk S-AgNO3 NPs showed significant pharmacological potential against cancer-inducing toxicity.

CAS / MDL: 7761-88-8
研究领域: 毒理学 · 生物化学 · 纳米医学 · 癌症研究
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ACS Omega · 2025 · IF 4.3

Insight into the Nature of Nickel Active Sites on the NiAl2O4 Catalyst for Phenanthrene Hydrogenation Saturation

Tao Tian,Ze-Min Zhao,Yu Zhang,Jieying Jing,Wen-Ying Li

Hydrogenation saturation of phenanthrene (a typical component of coal tar) could not only improve the combustion performance of fuel oil, but also obtain the raw material for preparing high-energy-density fuel. Nickel-based catalysts have been considered promising catalysts for the hydrogenation saturation of phenanthrene due to their appealing capacity to activate phenanthrene molecules. However, the Ni derivation precursor greatly affects its hydrogenation activity. In this work, the NiAl2O4 catalyst was obtained by the sol–gel method. Under the experimental conditions of temperature 300 °C, pressure 5 MPa, and WHSV 0.52 h–1, the phenanthrene conversion over NiAl2O4 catalysts can be up to 99.7 and 93.9% for perhydrophenanthrene yield, while those of the traditional Ni/Al2O3 catalysts are just up to 96.8 and 77.3%, respectively. Moreover, the TOF of phenanthrene hydrogenation of the NiAl2O4 catalyst (3.01 × 10–3 s–1) surpasses that of the traditional Ni/Al2O3 catalyst (2.46 × 10–3 s–1), which indicates that Ni derived from NiAl2O4 has stronger phenanthrene hydrogenation activity. According to relevant characterizations, the superior hydrogenation performance of the NiAl2O4 catalyst derives from the stronger H2 adsorption and dissociation ability and the formation of an electron-deficient structure of active metal Ni, which contributes to the improved adsorption and activation of the polycyclic aromatic hydrocarbons.

研究领域: 催化化学 · 能源化学 · 材料科学
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DALTON TRANSACTIONS · 2025 ·Vol. 54 ·期 48 ·17998-18008 · IF 3.3

Redox-active phenanthrenequinone as a molecular electron bridge for ultrastable Pd-catalyzed formic acid electrooxidation

Jianding Li,Jinwen Wu,Min Li,Yanling Hu,Yifeng Du,Xueqing Yu,Huajun Zhao,Yinan Huang,Liqing He

To further enhance the electrocatalytic performances of Pd-based electrocatalysts in small organic molecule oxidation reactions, Pd/C was modified by a redox-active organic molecule (9,10-phenanthrenequinone, PQ), resulting in a novel Pd/C-PQ catalyst. The catalyst was prepared by first physically adsorbing PQ onto the surface of Vulcan XC-72 carbon black (C-PQ), followed by the deposition of Pd nanoparticles on this modified C-PQ support. Results demonstrated that the Pd nanoparticles within the Pd/C-PQ catalyst were well-dispersed with a particle size distribution ranging from 2.4 to 4.6 nm. This size was significantly smaller than that of Pd nanoparticles in the unmodified Pd/C catalyst. Electrochemical testing revealed a substantial enhancement in performance. The mass and specific activity for formic acid oxidation achieved by the Pd/C-PQ catalyst were 2.67 and 2.07 times higher than that of the unmodified Pd/C catalyst, respectively. In addition, the CO stripping peak of the Pd/C-PQ catalyst exhibited a negative shift of 26 mV compared to Pd/C, indicating weaker CO adsorption. The remarkably improved stability was also observed for the Pd/C-PQ catalyst. Furthermore, the charge transfer kinetics for the formic acid oxidation reaction were significantly accelerated. The enhanced electrochemical performance of the Pd/C-PQ catalyst can be attributed to several synergistic factors of uniformly dispersed Pd with relatively smaller particle sizes, electronic interaction/modification between Pd and PQ, and the cooperative role of the PQ molecules acting as efficient redox mediators.

CAS / MDL: 497-19-8 84-11-7
研究领域: 电化学 · 催化化学 · 纳米材料 · 能源化学 · 表面科学
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JOURNAL OF HAZARDOUS MATERIALS · 2022 · IF 14.224

Excellent removal performance of 4,4'-biphenyldicarboxaldehyde m-phenylenediamine Schiff base magnetic polymer towards phenanthrene and 9-phenanthrol: Experimental, modeling and DFT calculations studies

Zhengwen Wei,Xiang-fei Lü,Wei Wang,Giuseppe Mele,Zhen-Yi Jiang

Phenanthrene (PTH) and 9-phenanthrol (9-PTH) exhibited severe health threats and ecological hazards, for this reason, exploring a high-efficient removing strategy for PTH and 9-PTH could be considered of great urgency. Herein the 4,4'-biphenyldicarboxaldehyde m-phenylenediamine Schiff base magnetic polymer (magnetic BIPH-PHEN) was successfully fabricated via Schiff base polycondensation reaction and the subsequently one-pot embedded method. The mutual aromatic nucleus of BIPH-PHEN polymer and PTH/9-PTH could form π–π interaction, thus improving the capture ability, the embedded Fe 3 O 4 nanoparticles provided the possibility for rapid separation. The physical and chemical properties of the magnetic BIPH-PHEN were systematically characterized. The removal rate of magnetic BIPH-PHEN towards PTH and 9-PTH was 85.65 % and 98.52 %, respectively (PTH or 9-PTH: 8 mg/L; Adsorbent: 0.2 g/L). The DFT calculations including energy calculations and electrostatic potential distribution analyzed the different bonding modes and proposed the most possible bonding modes in the adsorbent/adsorbate system. Moreover, the LUMO and HOMO orbits combined with energy gaps analysis proved the existence and specific types of the π–π interaction. The monolayer adsorption occurred on the homogeneous magnetic BIPH-PHEN surface, simultaneously the chemisorption was dominant. This work not only proposed new sights on assembling magnetic Schiff base polymer for removing polycyclic aromatic hydrocarbons, but also provided a deeper understanding of intramolecular interactions.

研究领域: 环境科学 · 材料科学 · 理论化学
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JOURNAL OF HAZARDOUS MATERIALS · 2024 · IF 12.2

Exposure to oxygenated polycyclic aromatic hydrocarbons and endocrine dysfunction: Multi-level study based on hormone receptor responses

Ying Ren,Yue Wang,Yang Wang,Xia Ning,Guangke Li,Nan Sang

Oxygenated polycyclic aromatic hydrocarbons (OPAHs) are a class of emerging environmental contaminants that exhibit high toxicity compared to parent PAHs. In addition to carcinogenic, teratogenic and mutagenic effects, recent studies show their potential to cause endocrine disruption, but the reports are controversial. In this study, we employed hormone receptors (ERα/AR/GRα/TRβ)-mediated dual luciferase reporter gene assay and molecular docking, and found that five typical OPAHs exhibited agonistic activity towards hormone receptors, and hydrogen bonding and hydrophobic interactions are the primary binding forces involved in OPAHs-receptor interactions. Then, we developed a weighted scoring system coupled with computerized screening and clarified that 1,2-benzanthraquinone (BAQ) had the strongest hormonal effects, while anthraquinone (AQ) exhibited the weakest effects. Using the in vivo exposure-response model, we clarified that BAQ induced hormone receptor-coupled developmental toxicity in zebrafish larvae, evidenced by increased expression of androgen receptors and key genes involved in hormone synthesis, pericardial edema, and reduced body length. Importantly, we successfully constructed androgen response element-enhanced green fluorescent protein (ARE-EGFP) transient transfection zebrafish embryos, and confirmed the androgenic potency of BAQ, but not AQ. These findings highlight the endocrine-disrupting effects in the risk management of OPAHs.

CAS / MDL: 103-85-5
研究领域: 环境毒理学 · 分子生物学 · 内分泌学 · 发育生物学
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