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Migration and fate of polycyclic aromatic hydrocarbons in bioretention systems with different media:

《环境科学与工程前沿（英文）》 2023年 第18卷 第4期 doi: 10.1007/s11783-024-1802-9

摘要：

● Bioretention systems showed > 92% load reduction rates of PAHs.

关键词： Bioretention     Polycyclic aromatic hydrocarbons     HYDRUS-1D     Model simulation     Migration    

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Enrichment and transfer of polycyclic aromatic hydrocarbons (PAHs) through dust aerosol generation from

《环境科学与工程前沿（英文）》 2023年 第17卷 第1期 doi: 10.1007/s11783-023-1610-7

摘要：

● Compositional patterns of PAHs in dust aerosol vary from soil during dust generation.

关键词： Dust aerosols     Enrichment factors (EFs)     Polycyclic aromatic hydrocarbons (PAHs)    

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Effect of ambient polycyclic aromatic hydrocarbons and nicotine on the structure of Aβ protein

《环境科学与工程前沿（英文）》 2023年 第17卷 第2期 doi: 10.1007/s11783-023-1615-2

摘要：

● B[a]P, nicotine and phenanthrene molecules altered the secondary structure of Aβ42.

关键词： Polycyclic aromatic hydrocarbons     Nicotine     toxicology     Aβ42 peptide     Alzheimer’s disease     Molecular dynamics simulations     Environmental pollution    

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High-precision standard enthalpy of formation for polycyclic aromatic hydrocarbons predicting from general

《化学科学与工程前沿（英文）》 2022年 第16卷 第12期   页码 1743-1750 doi: 10.1007/s11705-022-2184-9

摘要： The standard enthalpy of formation is an important predictor of the reaction heat of a chemical reaction. In this work, a high-precision method was developed to calculate accurate standard enthalpies of formation for polycyclic aromatic hydrocarbons based on the general connectivity based hierarchy (CBH) with the discrete correction of atomization energy. Through a comparison with available experimental findings and other high-precision computational results, it was found that the present method can give a good description of enthalpy of formation for polycyclic aromatic hydrocarbons. Since CBH schemes can broaden the scope of application, this method can be used to investigate the energetic properties of larger polycyclic aromatic hydrocarbons to achieve a high-precision calculation at the CCSD(T)/CBS level. In addition, the energetic properties of CBH fragments can be accurately calculated and integrated into a database for future use, which will increase computational efficiency. We hope this work can give new insights into the energetic properties of larger systems.

关键词： standard enthalpy of formation     polycyclic aromatic hydrocarbons     connectivity based hierarchy     high-precision calculation    

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Multiphase redistribution differences of polycyclic aromatic hydrocarbons (PAHs) between two successive

Rufeng LI,Chenghong FENG,Dongxin WANG,Baohua LI,Zhenyao SHEN

《环境科学与工程前沿（英文）》 2016年 第10卷 第2期   页码 381-389 doi: 10.1007/s11783-015-0817-7

摘要： Successive sediment suspensions often happen in estuary, yet little research has probed into the difference in the release behaviors of organic compounds among different suspensions. This study took polycyclic aromatic hydrocarbons (PAHs) as typical organic contaminants and investigated the release behaviors between two successive suspensions with a particle entrainment simulator (PES). Results showed that successive sediment suspensions lowered the concentration of dissolved PAHs in the overlying water via facilitating the re-adsorption of dissolved PAHs onto the suspended particles. Fast-release and slow-release periods of PAHs were successively observed in the both suspensions. The concentration changes of dissolved PAHs in the second suspension were generally similar with but hysteretic to those in the first suspension. More vigorous desorption and re-absorption of PAHs were induced in the second suspension. Successive sediment suspensions obviously decreased the concentrations of mineral composition and organic matters in the overlying water, which significantly affects multiphase distribution of PAHs.

关键词： sediment suspension     PAHs     multiphase distribution     distribution coefficients    

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Removal of high concentrations of polycyclic aromatic hydrocarbons from contaminated soil by biodiesel

Jinbao WU, Zongqiang GONG, Liyan ZHENG, Yanli YI, Jinghua JIN, Xiaojun LI, Peijun LI

《环境科学与工程前沿（英文）》 2010年 第4卷 第4期   页码 387-394 doi: 10.1007/s11783-010-0269-z

摘要： Solubilizing experiments were carried out to evaluate the ability of biodiesel to remove polycyclic aromatic hydrocarbons (PAHs) from highly contaminated manufactured gas plant (MGP) and PAHs spiked soils with hydroxypropyl-β-cyclodextrin (HPCD) and tween 80 as comparisons. Biodiesel displayed the highest solubilities of phenanthrene (420.7 mg·L ), pyrene (541.0 mg·L ), and benzo(a)pyrene (436.3 mg·L ). These corresponded to several fold increases relative to 10% HPCD and tween 80. Biodiesel showed a good efficiency for PAH removal from the spiked and MGP soils for both low molecular weight and high molecular weight PAHs at high concentrations. Biodiesel was the best agent for PAH removal from the spiked soils as compared with HPCD and tween 80; as over 77.9% of individual PAH were removed by biodiesel. Tween 80 also showed comparable capability with biodiesel for PAH solubilization at a concentration of 10% for the spiked soils. Biodiesel solubilized a wider range of PAHs as compared to HPCD and tween 80 for the MPG soils. At PAH concentrations of 229.6 and 996.9 mg·kg , biodiesel showed obvious advantage over the 10% HPCD and tween 80, because it removed higher than 80% of total PAH. In this study, a significant difference between PAH removals from the spiked and field MGP soils was observed; PAH removals from the MGP soil by HPCD and tween 80 were much lower than those from the spiked soil. These results demonstrate that the potential for utilizing biodiesel for remediation of highly PAH-contaminated soil has been established.

关键词： polycyclic aromatic hydrocarbons (PAHs)     biodiesel     soil     removal     solubilization    

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Transmembrane transport of polycyclic aromatic hydrocarbons by bacteria and functional regulation of

Hongqi Wang, Ruhan Jiang, Dekang Kong, Zili Liu, Xiaoxiong Wu, Jie Xu, Yi Li

《环境科学与工程前沿（英文）》 2020年 第14卷 第1期 doi: 10.1007/s11783-019-1188-2

摘要： Explaintheadsorption, uptake and transmembrane transport of PAHs by bacteria. Analyze functional regulation of membrane proteins inthe transmembrane transport. Proteomics technology such as iTRAQ labeling was used to access expressed proteins. Single cell analysis technology wereused to study the morphological structure. In recent years, increasing research has been conducted on transmembrane transport processes and the mechanisms behind the microbial breakdown of polycyclic aromatic hydrocarbons (PAHs), including the role of membrane proteins in transmembrane transport and the mode of transmission. This article explains the adsorption, uptake and transmembrane transport of PAHs by bacteria, the regulation of membrane protein function during the transmembrane transport. There are three different regulation mechanisms for uptake, depending on the state and size of the oil droplets relative to the size of the microbial cells, which are (i) direct adhesion, (ii) emulsification and pseudosolubilization, and (iii) interfacial uptake. Furthermore, two main transmembrane transport modes are introduced, which are (i) active transport and (ii) passive uptake and active efflux mechanism. Meanwhile, introduce the proteomics and single cell analysis technology used to address these areas of research, such as Isobaric tags for relative and absolute quantitation (iTRAQ) technology and Nano Secondary ion mass spectrometry (Nano-SIMS). Additionally, analyze the changes in morphology and structure and the characteristics of microbial cell membranes in the process of transmembrane transport. Finally, recognize the microscopic mechanism of PAHs biodegradation in terms of cell and membrane proteins are of great theoretical and practical significance for understanding the factors that influence the efficient degradation of PAHs contaminants in soil and for remediating the PAHs contamination in this area with biotechnology.

关键词： Polycyclic aromatic hydrocarbons     Transmembrane transport     Adsorption and uptake of hydrocarbons     Proteomics     Functional regulation of membrane protein     Single cell analysis technology    

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Application of probabilistic risk assessment at a coking plant site contaminated by Polycyclic AromaticHydrocarbons

XIA Tianxiang,JIANG Lin,JIA Xiaoyang,ZHONG Maosheng,LIANG Jing

《环境科学与工程前沿（英文）》 2014年 第8卷 第3期   页码 441-450 doi: 10.1007/s11783-013-0572-6

摘要： Application of Probabilistic Risk Assessment (PRA) and Deterministic Risk Assessment (DRA) at a coking plant site was compared. By DRA, Hazard Quotient (HQ) following exposure to Naphthalene (Nap) and Incremental Life Cancer Risk (ILCR) following exposure to Benzo(a)pyrene (Bap) were 1.87 and 2.12 × 10 . PRA revealed valuable information regarding the possible distribution of risk, and risk estimates of DRA located at the 99.59th and 99.76th percentiles in the risk outputs of PRA, which indicated that DRA overestimated the risk. Cleanup levels corresponding acceptable HQ level of 1 and ILCR level of 10 were also calculated for both DRA and PRA. Nap and Bap cleanup levels were 192.85 and 0.14 mg·kg by DRA, which would result in only 0.25% and 0.06% of the exposed population to have a risk higher than the acceptable risk, according to the outputs of PRA. The application of PRA on cleanup levels derivation would lift the cleanup levels 1.9 times for Nap and 2.4 times for Bap than which derived by DRA. For this coking plant site, the remediation scale and cost will be reduced in a large portion once the method of PRA is used. Sensitivity analysis was done by calculating the contribution to variance for each exposure parameter and it was found that contaminant concentration in the soil ( ), exposure duration ( ), total hours spent outdoor per day ( ), soil ingestion rate ( ), the air breathing rate ( ) and bodyweight ( ) were the most important parameters for risk and cleanup levels calculations.

关键词： Probabilistic Risk Assessment (PRA)     a coking plant     risk     cleanup level     sensitivity analysis     polycyclic aromatic hydrocarbons (PAHs)    

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Dissipation of polycyclic aromatic hydrocarbons and microbial activity in a field soil planted with perennial

Dengqiang FU, Ying TENG, Yuanyuan SHEN, Mingming SUN, Chen TU, Yongming LUO, Zhengao LI, Peter CHRISTIE

《环境科学与工程前沿（英文）》 2012年 第6卷 第3期   页码 330-335 doi: 10.1007/s11783-011-0366-7

摘要： Dissipation and plant uptake of polycyclic aromatic hydrocarbons (PAHs) in contaminated agricultural soil planted with perennial ryegrass were investigated in a field experiment. After two seasons of grass cultivation the mean concentration of 12 PAHs in soil decreased by 23.4% compared with the initial soil. The 3-, 4-, 5-, and 6-ring PAHs were dissipated by 30.9%, 25.5%, 21.2%, and 16.3% from the soil, respectively. Ryegrass shoots accumulated about 280 μg·kg , shoot dry matter biomass reached 2.48 × 10 kg·ha , and plant uptake accounted for about 0.99% of the decrease in PAHs in the soil. Significantly higher soil enzyme activities and microbial community functional diversity were observed in planted soil than that in the unplanted control. The results suggest that planting ryegrass may promote the dissipation of PAHs in long-term contaminated agricultural soil, and plant-promoted microbial degradation may be a main mechanism of phytoremediation.

关键词： perennial ryegrass     polycyclic aromatic hydrocarbon bioremediation     plant uptake     soil microbial activity    

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Persistent free radicals in humin under redox conditions and their impact in transforming polycyclicaromatic hydrocarbons

Hanzhong Jia, Yafang Shi, Xiaofeng Nie, Song Zhao, Tiecheng Wang, Virender K. Sharma

《环境科学与工程前沿（英文）》 2020年 第14卷 第4期 doi: 10.1007/s11783-020-1252-y

摘要： Abstract • Regulation of redox conditions promotes the generation of free radicals on HM. • HM-PFRs can be fractionated into active and inactive types depending on stability. • The newly produced PFRs readily release electrons to oxygen and generate ROS. • PFR-induced ROS mediate the transformation of organic contaminants adsorbed on HM. The role of humic substance-associated persistent free radicals (PFRs) in the fate of organic contaminants under various redox conditions remains unknown. This study examined the characterization of original metal-free peat humin (HM), and HM treated with varying concentrations of H2O2 and L-ascorbic acid (VC) (assigned as H2O2-HM and VC-HM). The concentration of PFRs in HM increased with the addition of VC/H2O2 at concentrations less than 0.08 M. The evolution of PFRs in HM under different environmental conditions (e.g., oxic/anoxic and humidity) was investigated. Two types of PFRs were detected in HM: a relatively stable radical existed in the original sample, and the other type, which was generated by redox treatments, was relatively unstable. The spin densities of VC/H2O2-HM readily returned to the original value under relatively high humidity and oxic conditions. During this process, the HM-associated “unstable” free radicals released an electron to O2, inducing the formation of reactive oxygen species (ROS, i.e., •OH and •O2−). The generated ROS promoted the degradation of polycyclic aromatic hydrocarbons based on the radical quenching measurements. The transformation rates followed the order naphthalene>phenanthrene>anthracene>benzo[a]pyrene. Our results provide valuable insight into the HM-induced transformation of organic contaminants under natural conditions.

关键词： Humic substance     Polycyclic aromatic hydrocarbons (PAHs)     Persistent free radicals (PFRs)     Redox     Reactive oxygen species (ROS)    

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hydrazine-linked covalent organic frameworks coated capillaries for separation and determination of polycyclicaromatic hydrocarbons

《化学科学与工程前沿（英文）》 2023年 第17卷 第5期   页码 548-556 doi: 10.1007/s11705-022-2252-1

摘要： Covalent organic frameworks (COFs) have been increasingly used in capillary electrochromatography due to their excellent characteristics. In this work, hydrazine-linked TFPB-DHzDS (TFPB: 1,3,5-tris(4-formylphenyl)benzene; DHzDS: 2,5-bis(3-(ethylthio)propoxy)terephthalohydrazide) was first synthesized by a simpler and easier method at room temperature and introduced into capillary electrochromatography as coating material. The TFPB-DHzDS coated capillaries were prepared by an in-situ growth process at room temperature. After optimizing the coating concentration and experimental conditions of capillary electrochromatography, baseline separation of two groups of polycyclic aromatic hydrocarbons was achieved based on the TFPB-DHzDS coated capillary. And the established method was used successfully to determine PAHs in natural water and soil samples. The spiked recoveries of polycyclic aromatic hydrocarbons in these samples ranged from 90.01% to 111.0%, indicating that the method is reliable and could detect polycyclic aromatic hydrocarbons in natural samples. Finally, molecular simulation was applied to study and visualize the interaction between the analytes and coating COF materials to investigate the molecular level separation mechanism further.

关键词： hydrazine-linked TFPB-DHzDS     in-situ growth method     open-tubular capillary electrochromatography     molecular simulations    

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Particle-bound polycyclic aromatic hydrocarbons in typical urban of Yunnan-Guizhou Plateau: Characterization

《环境科学与工程前沿（英文）》 2022年 第16卷 第9期 doi: 10.1007/s11783-022-1535-6

摘要：

• The sampling was conducted in city on the Yunnan-Guizhou Plateau for one year.

关键词： Particle-associated PAHs     Fine particle     Source appointment     Group analysis     Risk assessment     Biomass burning    

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The epidemic status and risk factors of lung cancer in Xuanwei City, Yunnan Province, China

null

《医学前沿（英文）》 2012年 第6卷 第4期   页码 388-394 doi: 10.1007/s11684-012-0233-3

摘要：

Xuanwei City (formerly known as Xuanwei County) locates in the northeastern of Yunnan Province and is rich in coal, iron, copper and other mines, especially the smoky (bituminous) coal. Unfortunately, the lung cancer morbidity and mortality rates in this region are among China’s highest, with a clear upward trend from the mid-1970s to mid-2000s. In 2004–2005, the crude death rate of lung cancer was 91.3 per 100 000 in the whole Xuanwei City, while that for Laibin Town in this city was 241.14 per 100 000. The epidemiologic distribution (clustering patterns by population, time, and space) of lung cancer in Xuanwei has some special features, e.g., high incidence in rural areas, high incidence in females, and an early age peak in lung cancer deaths. The main factor that associates with a high rate of lung cancer incidence was found to be indoor air pollution caused by the indoor burning of smoky coal. To a certain extent, genetic defects are also associated with the high incidence of lung cancer in Xuanwei. Taken together, lung cancer in this smoky coal combustion region is a unique model for environmental factor-related human cancer, and the current studies indicate that abandoning the use of smoky coal is the key to diminish lung cancer morbidity and mortality.

关键词： lung cancer     Xuanwei     smoky coal combustion     polycyclic aromatic hydrocarbons     epidemiology    

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Impact of solids on biphasic biodegradation of phenanthrene in the presence of hydroxypropyl- β -cyclodextrin (HPCD)

Zhenyi ZHANG, Chihiro INOUE, Guanghe LI,

《环境科学与工程前沿（英文）》 2010年 第4卷 第3期   页码 329-333 doi: 10.1007/s11783-010-0232-z

摘要： The consequence of polycyclic aromatic hydrocarbons (PAHs) in the environment is of great concern. The hydrophobic properties of PAHs significantly impact phase distribution causing limited bioavailability. Enhanced biodegradation has been extensively carried out by surfactants and the redeployment effect was recognized. However, the quantitative relationship concerning the impact of solids was rarely reported. A batch of biphasic tests were carried out by introducing PYR-1 and hydroxypropyl--cyclodextrin (HPCD) into a mixture of phenanthrene solution and various glass beads (GB37-63, GB105-125, and GB350-500). The comparative results demonstrated that HPCD had little effect on microbial growth and was not degradable by bacterium. A model was proposed to describe the biodegradation process. The regression results indicated that the partition coefficient (1.234, 0.726 and 0.448 L·g) and the degradation rate (0 mmol·L: 0.055, 0.094, and 0.112; 20 mmol·L: 0.126, 0.141, and 0.156; 40 mmol·L: 0.141, 0.156 and 0.184 d) were positively and negatively correlated with the calculated total surface area (TSA) of solids, respectively. Degradation enhanced in the presence of HPCD, and the enhancing factor was calculated (20 mmol·L: 15.16, 40.01, and 145.5; 40 mmol·L: 13.29, 37.97, and 138.4), indicating that the impact of solids was significant for the enhancement of biodegradation.

关键词： biphasic biodegradation     hydroxypropyl-β     -cyclodextrin (HPCD)     polycyclic aromatic hydrocarbons (PAHs)    

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Reduced kinetic mechanism of -heptane oxidation in modeling polycyclic aromatic hydrocarbon formation

ZHONG Beijing, XI Jun

《能源前沿（英文）》 2008年 第2卷 第3期   页码 326-332 doi: 10.1007/s11708-008-0047-9

摘要： A reduced mechanism, which could couple with the multidimensional computational fluid dynamics code for quantitative description of a reacting flow, was developed for chemical kinetic modeling of polycyclic aromatic hydrocarbon formation in an opposed-flow diffusion flame. The complete kinetic mechanism, which comprises 572 reactions and 108 species, was reduced to a simplified mechanism that includes only 83 reactions and 56 species through sensitivity analysis. The results computed via this reduced mechanism are nearly indistinguishable from those via the detailed mechanism, which demonstrate that the model based on this reduced mechanism can properly describe -heptane oxidation chemistry and quantitatively predict polycyclic aromatic hydrocarbon (such as benzene, naphthalene, phenanthrene and pyrene) formation in opposed-flow diffusion flames.

关键词： phenanthrene     multidimensional computational     sensitivity analysis     polycyclic     mechanism    

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标题 作者 时间 类型 操作

Migration and fate of polycyclic aromatic hydrocarbons in bioretention systems with different media:

期刊论文

Enrichment and transfer of polycyclic aromatic hydrocarbons (PAHs) through dust aerosol generation from

期刊论文

Effect of ambient polycyclic aromatic hydrocarbons and nicotine on the structure of Aβ protein

期刊论文

High-precision standard enthalpy of formation for polycyclic aromatic hydrocarbons predicting from general

期刊论文

Multiphase redistribution differences of polycyclic aromatic hydrocarbons (PAHs) between two successive

Rufeng LI,Chenghong FENG,Dongxin WANG,Baohua LI,Zhenyao SHEN

期刊论文

Removal of high concentrations of polycyclic aromatic hydrocarbons from contaminated soil by biodiesel

Jinbao WU, Zongqiang GONG, Liyan ZHENG, Yanli YI, Jinghua JIN, Xiaojun LI, Peijun LI

期刊论文

Transmembrane transport of polycyclic aromatic hydrocarbons by bacteria and functional regulation of

Hongqi Wang, Ruhan Jiang, Dekang Kong, Zili Liu, Xiaoxiong Wu, Jie Xu, Yi Li

期刊论文

Application of probabilistic risk assessment at a coking plant site contaminated by Polycyclic AromaticHydrocarbons

XIA Tianxiang,JIANG Lin,JIA Xiaoyang,ZHONG Maosheng,LIANG Jing

期刊论文

Dissipation of polycyclic aromatic hydrocarbons and microbial activity in a field soil planted with perennial

Dengqiang FU, Ying TENG, Yuanyuan SHEN, Mingming SUN, Chen TU, Yongming LUO, Zhengao LI, Peter CHRISTIE

期刊论文

Persistent free radicals in humin under redox conditions and their impact in transforming polycyclicaromatic hydrocarbons

Hanzhong Jia, Yafang Shi, Xiaofeng Nie, Song Zhao, Tiecheng Wang, Virender K. Sharma

期刊论文

hydrazine-linked covalent organic frameworks coated capillaries for separation and determination of polycyclicaromatic hydrocarbons

期刊论文

Particle-bound polycyclic aromatic hydrocarbons in typical urban of Yunnan-Guizhou Plateau: Characterization

期刊论文

The epidemic status and risk factors of lung cancer in Xuanwei City, Yunnan Province, China

null

期刊论文

Impact of solids on biphasic biodegradation of phenanthrene in the presence of hydroxypropyl- β -cyclodextrin (HPCD)

Zhenyi ZHANG, Chihiro INOUE, Guanghe LI,

期刊论文

Reduced kinetic mechanism of -heptane oxidation in modeling polycyclic aromatic hydrocarbon formation

ZHONG Beijing, XI Jun

期刊论文