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ANALYTICAL CHEMISTRY · 2026 · IF 7.3

A SERS-Based Analytical Strategy for Real-Time Quantitative Kinetic Analysis and Inhibitor Screening for Cytochrome P450-Mediated PAH Metabolism

Yifan Li,Junbo Li,Yang Yang,Chunyi Wei,Yuting Song,Bo Jiang,Yunfei Xie,Wei Ji

Exploring the metabolic kinetics mediated by cytochrome P450 (CYP) enzymes is essential for understanding pharmacokinetic and toxicological mechanisms. However, real-time monitoring of CYP-mediated enzymatic reactions remains challenging for conventional techniques. Here, we report the first attempt to develop a surface-enhanced Raman scattering (SERS)-based analytical platform for the direct, real-time tracking of enzymatic metabolism and extraction of critical kinetic parameters. An in vitro CYP enzyme system was constructed to emulate hepatic microsomal activity, using pyrene (Pyr) as a model and polycyclic aromatic hydrocarbon (PAH) as the model substrate. Cetyltrimethylammonium bromide (CTAB)-induced Ag aggregates enabled simultaneous detection of Pyr (408 cm–1) and its metabolite 1-hydroxypyrene (1-OHPyr; 426/617 cm–1) directly within the reaction medium. The hydrophobic CTAB self-assembled monolayer enhanced analyte enrichment and suppressed protein interference, while the intrinsic Raman band of CTAB at 760 cm–1 served as a reliable internal standard for quantitative kinetic assessment. This platform allowed real-time monitoring of CYP-catalyzed oxidation of Pyr, yielding pseudo-first-order kinetics (k = 0.00501 min–1) and the Michaelis constant Km of 13 μM. Furthermore, inhibition studies identified CYP1A2 as the principal isoform responsible for Pyr metabolism, corroborated by the potent inhibitory activity of α-naphthoflavone (with calculated IC50). To our knowledge, this work represents the first instance of SERS for time-resolved monitoring of CYP-mediated metabolism, expanding its capability from static detection to dynamic biochemical analysis. The proposed strategy provides a simple, label-free, and time-resolved approach for enzyme kinetic studies, inhibitor screening, and metabolic analysis.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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APPLIED SOIL ECOLOGY · 2025 · IF 5

Responses of soil bacterial communities and PAH-degrading genes to PAHs during soil self-purification: Evidence from a microcosm experiment

Xian Zhou,Xuwei Li,Chao Lu,Jian Wang,Chao Qin,Wanting Ling

Polycyclic aromatic hydrocarbons (PAHs) are persistent environmental pollutants threatening soil ecosystems and human health. While soil microbial communities possess intrinsic PAH degradation potential, the dynamics of bacterial populations and degradation-associated genes during natural attenuation remain poorly understood. This study investigated the self-purification capacity of PAH-contaminated soil through a 32-day microcosm experiment using three model PAHs: naphthalene (NAP), phenanthrene (PHE), and pyrene (PYR). Results demonstrated high PAH dissipation rates (94.36 %, 72.60 %, and 47.70 % for NAP, PHE, and PYR, respectively). High-throughput sequencing revealed that PAH exposure (10–100 mg kg −1 ) shifted bacterial community structure, enriching Actinobacterial taxa (Mycobacterium, Rhodococcus, Nocardioides) linked to PAH degradation and strengthening bacterial interactions. Quantitative PCR further indicated substrate-specific gene responses: Actinobacteria harboring nahAC preferentially degraded NAP, while nidA and phe genes were upregulated under PHE/PYR stress. These findings highlight Actinobacteria as keystone degraders and propose leveraging microbial community assembly strategies to optimize bioremediation of PAH-contaminated soils.

CAS / MDL: 22204-53-1 85-01-8
研究领域: 环境科学 · 微生物学
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RSC Advances · 2024 ·Vol. 14 ·期 43 ·31768-31776 · IF 3.9

Combined application of resveratrol and a ryegrass endophyte in PAH-contaminated soil remediation and its impact on soil microbial communities

Jiawei Zhao,Li Lu,Qiwei Chai,Wei Jin,Min Zhu,Shengqi Qi,Jiali Shentu,Yuyang Long,Dongsheng Shen

The unique capacity of certain plant endophytes to degrade organic pollutants has garnered considerable interest in recent years. However, it remains uncertain whether endophytes can maintain high degradation activity after in vitro culture and whether they can be used directly in the remediation of contaminated soils. This study reveals that resveratrol, a plant secondary metabolite, selectively boosts the degradation of polycyclic aromatic hydrocarbons (PAHs) by endophytic Methylobacterium extorquens C1 (C1) in vitro, while exerting negligible effects on the activity of indigenous soil bacteria. For the first time, a combined application of C1 and resveratrol was employed in the remediation of polycyclic aromatic hydrocarbon (PAH)-contaminated soil. The findings indicate that the sole use of resveratrol failed to promote the removal of PAHs by indigenous soil microorganisms, whereas sole application of C1 boosted Methylobacterium-related PAH-degrading bacterial abundance, enhancing PAH removal, yet concurrently reduced overall soil microbial diversity. The combination of resveratrol and C1 not only stimulated the PAH removal but also mitigated the impact of C1 on the soil microbial community structure when C1 was applied individually. Specifically, the optimal removal efficacy was achieved with a treatment combination of 5 mg kg−1 resveratrol and 1.2 × 107 CFU kg−1 of C1, leading to a 130% and 231% increase in the removal of phenanthrene and acenaphthene, respectively, over a 15 days period. This study proposes a novel approach for the bioremediation of organic-contaminated soil by using the specific biological response of plant endophytic bacteria to secondary metabolites.

CAS / MDL: 501-36-0
研究领域: 环境科学 · 微生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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WATER AIR AND SOIL POLLUTION · 2013 ·Vol. 224 ·期 7 ·1-10 · IF 1.748

Effects of Alkyl Polyglucoside (APG) on Phytoremediation of PAH-Contaminated Soil by an Aquatic Plant in the Yangtze Estuarine Wetland

Liu Fahui,Wang Chuanhua,Liu Xiaoyan,Liang Xia,Wang Qian

This research evaluated the effects of alkyl polyglucoside (APG), an environment-friendly surfactant, on the removal of anthracene (ANT), phenanthrene (PHE), and pyrene (PYR) from the soil cultivated with Scirpus triqueter , an aquatic native pioneer plant in the Yangtze estuarine wetland, China. Soils spiked with about 200 mg kg −1 of ANT, PHE, and PYR were individually irrigated with 0, 10, 20, 30, 40, 50, 100, and 150 mg L −1 of APG. Plant biomass yields, polycyclic aromatic hydrocarbons (PAHs) removal rates, soil microbial, and soil enzyme activities were quantified after 90 days’ cultivation of Scirpus triqueter . Experiments demonstrated that APG has an ability to facilitate PAHs degradation at appropriate concentrations. The highest removal rate of the PAHs was observed in 40 mg L −1 APG treatment, and the removal rates increased 23, 54, and 52 %, respectively, compared to the non-amended control pots. However, the PAHs removal rate decreased to a certain extent when high concentrations of APG were added. The effect on PAHs removal in the soil could be explained by the changed levels of plant biomass, soil microbial populations, and soil enzymatic activity affected by the APG. The results suggested that the use of Scirpus triqueter combined with APG was an effective means for the phytoremediation of the PAH-contaminated soil. At the same time, APG’s optimal concentration should be determined before the application in the PAH-contaminated wetlands.

研究领域: 环境科学 · 植物修复 · 土壤学 · 湿地生态学
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Toxics · 2026 ·Vol. 14 ·期 3 ·222 · IF 4.9

Cellular Effects and Regulated Protein Expression of MCF-7 Breast Cancer Cells Following Exposure to PAH Derivative 3-Hydroxybenz[a]anthracene

Xiao Kang,Wenting Song,Xueyan Li,Yuyan Yang,Xinke Wu

Breast cancer is the most common malignant tumor among women worldwide, and its occurrence is closely associated with long-term exposure to environmental pollutants. Polycyclic aromatic hydrocarbons (PAHs) are a class of persistent organic pollutants widely present in the living environment. Epidemiological studies indicate that exposure to PAHs increases the risk of breast cancer. PAH derivatives exhibit stronger toxicity or endocrine-disrupting activity than their parent compounds; however, research on their specific effects and mechanisms in breast cancer cells remains limited. For this purpose, this study selected 3-Hydroxybenz[a]anthracene, a PAH derivative with potential estrogenic activity, as the target compound. Using the estrogen receptor-positive breast cancer cell line MCF-7 as the model, we performed EdU staining, colony formation assays, scratch healing assays, Transwell invasion assays, and apoptosis assays and preliminarily examined changes in relevant signaling proteins via Western blot. Results indicate that 3-Hydroxybenz[a]anthracene promotes proliferation and migration in MCF-7 cells while inhibiting apoptosis under certain conditions, but it has no effect on cell invasion. Mechanistically, it upregulates key proteins including AKT, c-Myc, E-Cadherin, Vimentin, MMP2, MMP9 and Bcl-2 while downregulating p-AKT expression. This study confirms through in vitro experiments that 3-Hydroxybenz[a]anthracene exhibits estrogen-like effects and modulates malignant behavior in breast cancer cells by regulating relevant signaling pathways. These findings provide experimental evidence for further evaluating the potential role of this environmental contaminant in breast cancer initiation and progression.

✓ 已验证 DOI PubMed 高影响因子
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JOURNAL OF ENVIRONMENTAL MANAGEMENT · 2026 · IF 9.2

Dithionite–zerovalent iron coupling drives Cu(II)/Cu(I) redox cycling for persulfate activation and PAH degradation in carbonate-rich water

Maolin Wang,Haoyang Fu,Yanchun Fan,Gang Zhao,Tianwen Liu,Yi Liu,Qingqing Wu,Ying Huang

Persulfate (PS)-based advanced oxidation of polycyclic aromatic hydrocarbons (PAHs) in carbonate-rich water is severely constrained by radical scavenging and surface passivation of iron-based activators. Here, a dithionite–zerovalent iron–copper (DTN–ZVI–Cu) ternary system was developed to promote persulfate activation toward predominantly non-radical oxidation under bicarbonate-rich conditions. DTN and ZVI accelerated Cu(II)-to-Cu(I) reduction while simultaneously regenerating the ZVI surface, thereby sustaining Cu-centered redox turnover and facilitating the formation of Cu(III)-like oxidizing species. In parallel, DTN promoted sulfur-centered conversion pathways that favored 1 O 2 generation. These non-radical oxidizing pathways are generally less susceptible to inorganic-anion scavenging than conventional sulfate and hydroxyl radicals. Under standard conditions, the system achieved 91% acenaphthene removal within 60 min ( k obs  = 0.039 min −1 ), an 8.7-fold kinetic enhancement over ZVI/PS alone. Moderate bicarbonate further promoted degradation, with k obs reaching 0.13 min −1  at 250 mg/L HCO 3 − , which is consistent with a plausible role of copper–carbonate complexation in stabilizing Cu redox cycling and favoring non-radical oxidation pathways. XPS analysis suggested that DTN–ZVI coupling elevated the reactive copper pool (Cu(I) + Cu(III)) to 57% of total surface copper. Applied to synthetic wastewaters, the system maintained 90–96% PAH removal at optimal dosages, indicating strong performance across complex saline matrices. This work demonstrates the feasibility of using coexisting Cu(II) as a catalytic resource for non-radical persulfate activation in carbonate-rich water.

CAS / MDL: 65-85-0 83-32-9
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

One-step recovery of precious metal ions from oil/water emulsions by multifunctional CNTs-PAH/MXene membrane for further recycling utilization

Xiaohan Niu,Mengting Li,Chunjia Luo,Min Chao,Xushuai Chen,Luke Yan

The complex composition of actual industrial wastewater requires membrane separation technologies that can treat multiple contaminants simultaneously. However, currently designed multifunctional separation membranes do not combine the recovery of the rare resource of precious metal ions. In this paper, the carbon nanotubes grafted with polyacrylhydrazide (CNTs-PAH) and Ti 3 C 2 T x MXene nanosheets were synergistically constructed as CNTs-PAH/MXene membranes. The membrane is initially capable of efficiently separating five kinds of water-in-oil (W/O) emulsions, and the separation efficiencies are all higher than 96 %. Moreover, the membrane can accurately and selectively recover precious metal ions from C/W emulsions, with maximum absorption capacities of 527 mg g −1 , 631 mg g −1 and 464 mg g −1 for Ag, Au and Pd, respectively. The post-recovery membrane precious metal ions can be further used to catalyze methylene blue and p-nitrophenol with catalytic efficiency above 95 %. The composite membrane has good structural stability and efficiency retention during cyclic separation. In addition, the regenerated silver nanoparticle composite membranes showed an inhibition rate of 88.97 ± 0.37 % against Staphylococcus aureus. This work introduces a fresh strategy to construct a long-lasting multifunctional separation membranes with simultaneous precious metal ion recovery.

研究领域: 材料科学 · 环境工程 · 化学工程
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CHEMICAL ENGINEERING JOURNAL · 2023 · IF 15.1

Experimental and kinetic modeling study of C5 cyclic hydrocarbons pyrolysis at elevated pressures: Effect of unsaturation on the reactivity and PAH formation

Hongyan Wang,Xinyue Sun,Yurou Zhou,Bofeng Zhang,Jingpei Cao,Guozhu Liu

To further explore the decomposition behaviors of C5 cyclic hydrocarbons, important components in the transportation fuels and pivotal intermediates in high-density liquid fuels, the pyrolysis of cyclopentane, cyclopentene and cyclopentadiene with different unsaturation degrees were investigated. The experiments of cyclopentane and cyclopentene were performed at 1.0, 30.0 atm and 773–1173 K in a flow tube reactor. The mole fraction profiles of pyrolysis species, involving C1-C5 small hydrocarbons and monocyclic, bicyclic as well as polycyclic aromatic hydrocarbons (MAHs, BAHs and PAHs), were provided. A universal kinetic model for three C5 cyclic fuels pyrolysis chemistry was proposed and reasonably predicted the speciation profiles newly reported in this work and literature, where rate coefficients of the crucial reactions were compared and upgraded. The differences among three fuels specific pathways were evaluated and the effects of unsaturation on the pyrolysis characteristics of intrinsic reactivity and aromatics formation were revealed. Cyclopentene has the highest pyrolysis reactivity, followed by cyclopentane and cyclopentadiene. Simultaneously formed fuel radicals and key intermediates in three C5 cyclic fuels influence the formation channels of small products, MAHs and BAHs. The saturated cyclopentane is easily occur the ring-opening reaction to generate more C2 and C3 species, whereas the increase in unsaturation promotes MAHs and BAHs formation in cyclopentene and cyclopentadiene pyrolysis, especially the toluene, styrene, indene and naphthalene. The rate of production analysis shows the formations of these MAHs and BAHs are strongly dependent on the concentration levels of cyclopentadienyl resonance stabilized radical (RSR). Differently, the dominated growth pathways of three- and four-ring PAHs are barely influenced by the specific fuel chemistry and indenyl plays a crucial role via the typical RSR chain reactions at high pressures.

研究领域: 化学工程 · 燃料化学
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FOOD CHEMISTRY · 2025 · IF 9.8

Untargeted lipidomics and targeted mass spectrometry unravel lipid profiles and PAH/OPAH compositions in supercritical CO₂-extracted and cold-pressed Brazil nut oils

Di Rao,Shimin Wu

Brazil nuts are rich in lipids, but the effects of supercritical CO₂ extraction (SC-CO₂) on their oil quality remain unclear. This study investigated the lipid composition and polycyclic aromatic hydrocarbon (PAH) contamination of Brazil nut oils obtained via SC-CO₂ and cold pressing (SFEO and PO) using untargeted lipidomics and targeted mass spectrometry. A total of 156 lipids were identified across all the samples, with significant compositional differences. SFEO contained fewer phospholipids (9 species, 0.85 μg/g) than PO (20 species, 35.67 μg/g), but higher levels of diglycerides and free fatty acids. The most abundant triacylglycerol in oils was TG 18:1_18:1_18:1. SFEO contained relatively high concentrations of PAHs and oxygenated PAHs, with naphthalene and 9-fluorenone at the highest levels. Toxic equivalency quotients (TEQs) were 0.35 μg/kg for PO and 2.49 μg/kg for SFEO. These findings provide new insights into the impact of supercritical CO₂ extraction on oil quality and PAH safety risks.

研究领域: 食品科学 · 分析化学 · 脂质组学 · 质谱分析 · 食品安全 · 萃取技术
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Pharmaceutics · 2022 ·Vol. 14 ·期 11 ·2307 · IF 6.525

Construction and Evaluation of a Novel Organic Anion Transporter 1/3 CRISPR/Cas9 Double-Knockout Rat Model

Xueyan Gou,Fenglin Ran,Jinru Yang,Yanrong Ma,Xin’an Wu

Background: Organic anion transporter 1 (OAT1) and OAT3 have an overlapping spectrum of substrates such that one can exert a compensatory effect when the other is dysfunctional. As a result, the knockout of either OAT1 or OAT3 is not reflected in a change in the excretion of organic anionic substrates. To date, only the mOAT1 and mOAT3 individual knockout mouse models have been available. Methods: In this study, we successfully generated aSlc22a6/Slc22a8double-knockout (KO) rat model using CRISPR/Cas9 technology and evaluated its biological properties. Results: The double-knockout rat model did not expressionmRNAfor rOAT1 or rOAT3 in the kidneys. Consistently, the renal excretion ofp-aminohippuric acid (PAH), the classical substrate of OAT1/OAT3, was substantially decreased in theSlc22a6/Slc22a8double-knockout rats. The relativemRNAlevel ofSlco4c1was up-regulated in KO rats. No renal pathological phenotype was evident. The renal elimination of the organic anionic drug furosemide was nearly abolished in theSlc22a6/Slc22a8knockout rats, but elimination of the organic cationic drug metformin was hardly affected. Conclusions: These results demonstrate that this rat model is a useful tool for investigating the functions of OAT1/OAT3 in metabolic diseases, drug metabolism and pharmacokinetics, and OATs-mediated drug interactions.Keywords:OAT1/OAT3;CRISPR/Cas9;gene knockout;pharmacokinetic

研究领域: 药理学 · 分子生物学 · 遗传学 · 药物发现
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RAPID COMMUNICATIONS IN MASS SPECTROMETRY · 2020 ·Vol. 34 ·期 21 ·e8899 · IF 2.2

Determination of absolute photoionization cross-sections of some aromatic hydrocarbons

Hanfeng Jin,Jiuzhong Yang,Aamir Farooq

Rationale Aromatic hydrocarbons play an important role in the formation and growth of polycyclic aromatic hydrocarbon (PAH) and soot particles. Measurements of their absolute photoionization cross-sections (PICSs), that benefit the quantitative investigation of mass spectrometry, are still lacking, however. Methods PICSs of some aromatic hydrocarbons were measured with tunable synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). Nitric oxide and benzene were chosen as standard references for PICS calibration, since their photoionization cross-sections are well documented in the literature. Binary liquid mixtures of the investigated molecules and their specific solvents were used in the measurements. Results The investigated aromatics include naphthalene, phenanthrene, 1-methylnaphthalene, indene, 2-/3-/4-methylphenylacetylene, 2-methylindene, diphenylacetylene, 1-/2-ethynylnaphthalene and acenaphthylene. Photo-induced fragments from the molecules were also observed with increasing photon energy. Conclusions Based on our measurements and literature data, PICSs of most aromatic molecules have very similar values beyond their ionization energies. However, molecules that contain the phenylacetylene structure have PICSs higher than other aromatics.

研究领域: 分析化学 · 质谱学 · 大气化学 · 环境科学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2021 · IF 4.539

Mesoporous silica nanoparticles with surface transformation ability for prostate cancer treatment

Chang-Ming Liu,Guang-Bing Chen,Li-Heng Lin,Jia-Bin Zhang,Shan-Ming Guo,Ming-Xiong Sheng

Prostate cancer is one of most devastating disease with the poor prognosis in men. The efficacy of conventional therapies is far from satisfactory due to the insufficient chemotherapeutic delivery to the cancer cells which requires the extremely high or toxic dose to reach the therapeutic window. In this work, a charge reversal nanoplatform based on mesoporous silica nanoparticle (MSN) with a core-shell structure is developed to programmatically overcome persistent obstacles in drug delivery to prostate cancer. MSN is served as a container to high-efficiently pack chemotherapeutic drug of triptolide . 2, 3-dimethylmaleic anhydride grafted poly-(allylamine hydrochloride) (PAH-DA) is used as the out shell with a negative charge for pH-triggered charge reversal, which can facilitate the cellular uptake. Furthermore, PAH-DA shell can also act as pH-sensitive gatekeepers while will elegantly shed from MSN under acidic tumor microenvironment for controlling drug release. As expected, in vitro cell experiments demonstrated that the as-prepared nanoplatform (denoted as MSN-T@PAH-DA) could be efficiently uptaken by LNCaP prostate cancer cells and exhibited a better anti-cancer effect at pH 6.5 as compared to that at pH 7.4. After intravenous injection, MSN-T@PAH-DA had a relatively higher tumor accumulation than MSN-T@PAH-SA counterpart without charge conversion ability, and thus achieving enhanced tumor growth suppression in mouse model of prostate cancer. Therefore, the pH-response surface charge reversal capacity of PAH-DA shell could enable multitasking in controlling drug release, regulating tumor accumulation and cellular internalization, which provided a promising strategy for efficient prostate tumor treatment.

研究领域: 纳米技术 · 癌症研究 · 药学 · 生物材料 · 药物递送系统
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