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Synthesis and characterization of biodegradable thermoplastic elastomers derived from N′,N-bis (2-carboxyethyl)-pyromellitimide, poly(butylene succinate) and polyethylene glycol

Jiaojiao Shang, Guo Yao, Ronghui Guo, Wei Zheng, Long Gu, Jianwu Lan

《化学科学与工程前沿（英文）》 2018年 第12卷 第3期   页码 457-466 doi: 10.1007/s11705-018-1716-9

摘要：

Biodegradable poly(ether-imide-ester) elastomers were synthesized from succinic acid, 1,4-butanediol, polyethylene glycol 1000 and N′,N-bis(2-carboxyethyl)-pyromellitimide which was derived from pyromellitic dianhydride and glycine. The chemical structures, crystallinities, thermal stabilities, mechanical properties, hydrophilicities and biodegradabilities of these elastomers were investigated. The hard segments of the linear aliphatic poly(ether-ester) exhibited monoclinic chain packing. Increasing the amount of aromatic bisimide moieties in the poly(ether-ester) reduced the crystallinity of the material and improved the thermal stability and tensile strength of the elastomers. In addition, introducing a suitable amount of aromatic bisimide moieties into the poly(ether-ester) backbones endowed the elastomers with improved biodegradability but too many aromatic bisimide groups reduced the biodegradability of the elastomers.

关键词： thermoplastic elastomers     biodegradability     thermo-stability     mechanical property     aromatic bisimide moiety    

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Enhancing the aromatic selectivity of cyclohexane aromatization by CO2 coupling

《化学科学与工程前沿（英文）》 2023年 第17卷 第11期   页码 1801-1808 doi: 10.1007/s11705-023-2325-9

摘要： Improving the aromatic selectivity in the alkane aromatization process is of great importance for its practical utilization but challenge to make because the high H/C ratio of alkanes would lead to a serious hydrogen transfer process and a large amount of light alkanes. Herein, CO2 is introduced into the cyclohexane conversion process on the HZSM-5 zeolite, which can improve the aromatic selectivity. By optimizing the reaction conditions, an improved aromatic (benzene, toluene, xylene, and C9+) selectivity of 48.2% can be obtained at the conditions of 2.7 MPa (CO2), 450 °C, and 1.7 h−1, which is better than that without CO2 (aromatic selectivity = 43.2%). In situ transmission Fourier transform infrared spectroscopy spectra illustrate that many oxygenated chemical intermediates (e.g., carboxylic acid, anhydride, unsaturated aldehydes/ketones or ketene) would be formed during the cyclohexane conversion process in the presence of CO2. 13C isotope labeling experimental results demonstrate that CO2 can enter into the aromatics through the formation of oxygenated chemical intermediates and thereby improve the aromatic selectivity. This study may open a green, economic, and promising way to improve the aromatic selectivity for alkane aromatization process.

关键词： aromatics     carbon dioxide     aromatization     coupling reaction     ZSM-5 zeolite    

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

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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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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Catalytic fast pyrolysis of Kraft lignin with HZSM-5 zeolite for producing aromatic hydrocarbons

Xiangyu LI, Lu SU, Yujue WANG, Yanqing YU, Chengwen WANG, Xiaoliang LI, Zhihua WANG

《环境科学与工程前沿（英文）》 2012年 第6卷 第3期   页码 295-303 doi: 10.1007/s11783-012-0410-2

摘要： Catalytic fast pyrolysis (CFP) of Kraft lignins with HZSM-5 zeolite for producing aromatics was investigated using analytical pyrolysis methods. Two Kraft lignins were fast pyrolyzed in the absence and presence of HZSM-5 in a Curie-point pyrolyzer. Without the catalyst, fast pyrolysis of lignin predominantly produced phenols and guaiacols that were derived from the subunits of lignin. However, the presence of HZSM-5 changed the product distribution dramatically. As the SiO /Al O ratio of HZSM-5 decreased from 200 to 25 and the catalyst-to-lignin ratio increased from 1 to 20, the lignin-derived oxygenates progressively decreased to trace and the aromatics increased substantially. The aromatic yield increased considerably as the pyrolysis temperature increased from 500°C to 650°C, but then decreased with yet further increase of pyrolysis temperature. Under optimal reaction conditions, the aromatic yields were 2.0 wt.% and 5.2 wt.% for the two lignins that had effective hydrogen indexes of 0.08 and 0.35.

关键词： lignin     catalytic fast pyrolysis     HZSM-5     zeolite     aromatic hydrocarbon    

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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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Persistent free radicals in humin under redox conditions and their impact in transforming polycyclic aromatic

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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Isolation of microbe for asymmetric reduction of prochiral aromatic ketone and its reaction characters

YANG Zhonghua, WANG Yu, WANG Guanghui, ZENG Rong, YAO Shanjing

《化学科学与工程前沿（英文）》 2007年 第1卷 第4期   页码 416-420 doi: 10.1007/s11705-007-0076-7

摘要： The favorable microbes for the asymmetric reduction of prochiral aromatic ketones was isolated from soil using acetophenone as the sole carbon source, when the asymmetric reduction of acetophenone (ACP) to chiral ?-phenethyl alcohol (PEA) was chosen as the model reaction. Two microbe strains with excellent catalytic activity were obtained. They were and identified by bacteria identification. The product of the asymmetric reduction of ACP catalyzed by was mainly R-PEA and that by was mainly S-PEA. The yield and enantiomeric excesses (e.e.) could respectively reach 75% and 90% for , and 80% and 70% for , much higher than those catalyzed by baker s yeast.

关键词： excellent catalytic     prochiral aromatic     enantiomeric     -phenethyl     catalytic activity    

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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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Comparison of exogenous degrader-enhanced bioremediation with low-dose persulfate oxidation for polycyclic aromatic

《环境科学与工程前沿（英文）》 2023年 第17卷 第11期 doi: 10.1007/s11783-023-1733-x

摘要： Polycyclic aromatic hydrocarbon (PAH)-contaminated soils are usually complex and characterized by a lack of nutrition and soil salinization, resulting in difficulties in soil remediation. In this study, bioaugmentation with a PAH-degrading Bacillus PheN7 (BA) and low-dose persulfate oxidation (PS), along with natural biodegradation, were utilized to remediate alkaline PAH-contaminated soil. The soil used in the study had a pH of 9.35, and the total PAH content was 568.8 ± 31.0 mg/kg dry soil. After 42 d of remediation, the degradation efficiency of PAHs was 96.72% and 93.88% using persulfate oxidation and bioaugmentation, respectively, whereas 38.66% of PAHs were degraded in natural attenuation (NA). Bacillus was the dominant genera throughout the process of bioremediation with the relative abundance of 79.3% on day 42 in the BA system, whereas, Alcanivorax was enriched and became the dominant genera in PS systems. In the meantime, PAH degradation genes were detected with remarkably higher level in the BA system than in PS system during the remediation. In addition to the degradation of contaminants, persulfate oxidation promotes microbial bioremediation efficiency mainly by lowering the pH to neutral and increasing the active phosphorus content in the soil. Microbial species and ecological niches were less reduced in the PS system than in the BA system. Collectively, persulfate oxidation had a better impact on the soil microbiome and is more suitable for long-term soil health than bioaugmentation through PheN7 addition.

关键词： Bioaugmentation     Low-dose persulfate oxidation     Polycyclic aromatic hydrocarbon     Remediation    

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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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hydrazine-linked covalent organic frameworks coated capillaries for separation and determination of polycyclic aromatic

《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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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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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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标题 作者 时间 类型 操作

Synthesis and characterization of biodegradable thermoplastic elastomers derived from N′,N-bis (2-carboxyethyl)-pyromellitimide, poly(butylene succinate) and polyethylene glycol

Jiaojiao Shang, Guo Yao, Ronghui Guo, Wei Zheng, Long Gu, Jianwu Lan

期刊论文

Enhancing the aromatic selectivity of cyclohexane aromatization by CO2 coupling

期刊论文

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

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

期刊论文

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

期刊论文

Catalytic fast pyrolysis of Kraft lignin with HZSM-5 zeolite for producing aromatic hydrocarbons

Xiangyu LI, Lu SU, Yujue WANG, Yanqing YU, Chengwen WANG, Xiaoliang LI, Zhihua WANG

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

Persistent free radicals in humin under redox conditions and their impact in transforming polycyclic aromatic

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

期刊论文

Isolation of microbe for asymmetric reduction of prochiral aromatic ketone and its reaction characters

YANG Zhonghua, WANG Yu, WANG Guanghui, ZENG Rong, YAO Shanjing

期刊论文

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

ZHONG Beijing, XI Jun

期刊论文

Comparison of exogenous degrader-enhanced bioremediation with low-dose persulfate oxidation for polycyclic aromatic

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

hydrazine-linked covalent organic frameworks coated capillaries for separation and determination of polycyclic aromatic

期刊论文

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

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