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Trends of chemical speciation profiles of anthropogenic volatile organic compounds emissions in China

Wei WEI, Shuxiao WANG, Jiming HAO, Shuiyuan CHENG

《环境科学与工程前沿（英文）》 2014年 第8卷 第1期   页码 27-41 doi: 10.1007/s11783-012-0461-4

摘要： This study estimates the detailed chemical profiles of China’s anthropogenic volatile organic compounds (VOCs) emissions for the period of 2005–2020. The chemical profiles of VOCs for seven activity sectors are calculated, based on which the Photochemical Ozone Creation Potential (POCP) of VOCs for these sectors is evaluated. At the national level, the VOCs species emitted in 2005 include alkanes, alkenes and alkynes, aromatic compounds, alcohols, ketones, aldehydes, esters, ethers and halocarbons, accounting for 26.4 wt.%, 29.2 wt.%, 21.3 wt.%, 4.7 wt.%, 5.4 wt.%, 1.7 wt.%, 2.1 wt.%, 0.7 wt.% and 2.2 wt.% of total emissions, respectively. And during 2005-2020, their mass proportions would respectively grow or decrease by -6.9%, -32.7%, 7.3%, 65.3%, 34.7%, -48.6%, 108.5%, 100.5%, and 55.4%. This change would bring about a 13% reduction of POCP for national VOCs emissions in the future. Thus, although the national VOCs emissions are expected to increase by 33% over the whole period, its ozone formation potential is estimated to rise only by 14%. Large discrepancies are found in VOCs speciation emissions among provinces. Compared to western provinces, the eastern provinces with a more developed economy would emit unsaturated hydrocarbons and benzene with lower mix ratios, and aromatic compounds except benzene, oxidized hydrocarbons and halocarbons with higher mix ratios. Such differences lead to lower POCP of VOCs emitted in eastern provinces, and higher POCP of VOCs emitted in western provinces. However, due to the large VOCs emissions from Chinese eastern region, the ozone formation potential of VOCs emission in eastern provinces would be much higher than those in western provinces by about 156%–235%.

关键词： volatile organic compounds (VOCs)     chemical speciation     ozone formation     Photochemical Ozone Creation Potential (POCP)     China    

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Chemical transdifferentiation: closer to regenerative medicine

null

《医学前沿（英文）》 2016年 第10卷 第2期   页码 152-165 doi: 10.1007/s11684-016-0445-z

摘要：

Cell transdifferentiation, which directly switches one type of differentiated cells into another cell type, is more advantageous than cell reprogramming to generate pluripotent cells and differentiate them into functional cells. This process is crucial in regenerative medicine. However, the cell-converting strategies, which mainly depend on the virus-mediated expression of exogenous genes, have clinical safety concerns. Small molecules with compelling advantages are a potential alternative in manipulating cell fate conversion. In this review, we briefly retrospect the nature of cell transdifferentiation and summarize the current developments in the research of small molecules in promoting cell conversion. Particularly, we focus on the complete chemical compound-induced cell transdifferentiation, which is closer to the clinical translation in cell therapy. Despite these achievements, the mechanisms underpinning chemical transdifferentiation remain largely unknown. More importantly, identifying drugs that induce resident cell conversion in vivo to repair damaged tissue remains to be the end-goal in current regenerative medicine.

关键词： cell therapy     cell transdifferentiation     chemical compounds     small molecules     tissue regeneration    

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Chemical speciation and anthropogenic sources of ambient volatile organic compounds (VOCs) during summer

LU Sihua, LIU Ying, SHAO Min, HUANG Shan

《环境科学与工程前沿（英文）》 2007年 第1卷 第2期   页码 147-152 doi: 10.1007/s11783-007-0026-0

摘要： Volatile organic compounds (VOCs) were measured at six sites in Beijing in August, 2004. Up to 148 VOC species, including C to C alkanes, C to C alkenes, C to C aromatics, and halogenated hydrocarbons, were quantified. Although the concentrations differed at the sites, the chemical compositions were similar, except for the Tongzhou site where aromatics were significantly high in the air. Based on the source profiles measured from previous studies, the source apportionment of ambient VOCs was preformed by deploying the chemical mass balance (CMB) model. The results show that urban VOCs are predominant from mobile source emissions, which contribute more than 50% of the VOCs (in mass concentrations) to ambient air at most sites. Other important sources are gasoline evaporation, painting, and solvents. The exception is at the Tongzhou site where vehicle exhaust, painting, and solvents have about equal contribution, around 35% of the ambient VOC concentration. As the receptor model is not valid for deriving the sources of reactive species, such as isoprene and 1,3-butadiene, other methodologies need to be further explored.

关键词： Beijing     exception     gasoline evaporation     August     exhaust    

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Trace analysis of off-flavor/odor compounds in water using liquid-liquid microextraction coupled withgas chromatography—positive chemical ionization-tandem mass spectrometry

Jian LU,Paul S. WILLS,P. CHRIS WILSON

《环境科学与工程前沿（英文）》 2016年 第10卷 第3期   页码 477-481 doi: 10.1007/s11783-015-0820-z

摘要： A rapid, inexpensive and laboratory friendly method was developed for analysis of off-flavor/odor compounds in fresh and salt water using gas chromatography with chemical ionization-tandem mass spectrometry. Off-flavor/odor compounds included geosmin, 2-methylisoborneol (MIB), 2-isobutyl-3-methyoxypyrazine (IBMP), and 2-isopropyl-3-methoxypyrazine (IPMP). Using this method, a single sample can be extracted within minutes using only 1 mL of organic solvent. The ion transitions for IPMP, IBMP, MIB, and geosmin were 153>121, 167>125, 152>95, and 165>109, respectively. The linearity of this method for analyzing MIB ranged from 4 to 200 ng·L , and from 0.8 to 200 ng·L for the other analytes. Method recoveries ranged from 97% to 111% and percent relative standard deviations ranged from 3% to 9%, indicating that the method is accurate, precise, and reliable.

关键词： off-flavor/odor compounds     liquid-liquid microextraction     gas chromatography-tandem mass spectrometry    

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Recent advances in electrochemical decontamination of perfluorinated compounds from water: a review

《环境科学与工程前沿（英文）》 2023年 第17卷 第2期 doi: 10.1007/s11783-023-1618-z

摘要：

● Recent advances in the electrochemical decontamination of PFAS are reviewed.

关键词： Perfluorinated compounds     Electrochemical approach     Working mechanisms     Impacting factor     Coupled process    

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Effect of co-existing organic compounds on adsorption of perfluorinated compounds onto carbon nanotubes

Shubo DENG,Yue BEI,Xinyu LU,Ziwen DU,Bin WANG,Yujue WANG,Jun HUANG,Gang YU

《环境科学与工程前沿（英文）》 2015年 第9卷 第5期   页码 784-792 doi: 10.1007/s11783-015-0790-1

摘要： Co-existing organic compounds may affect the adsorption of perfluorinated compounds (PFCs) and carbon nanotubes in aquatic environments. Adsorption of perfluorooctane sulfonate (PFOS), perfluorooctane acid (PFOA), perfluorobutane sulfonate (PFBS), and perfluorohexane sulfonate (PFH S) on the pristine multi-walled carbon nanotubes (MWCNTs-Pri), carboxyl functionalized MWCNTs (MWCTNs-COOH), and hydroxyl functionalized MWCNTs (MWCNTs-OH) in the presence of humic acid, 1-naphthol, phenol, and benzoic acid was studied. Adsorption kinetics of PFOS was described well by the pseudo-second-order model and the sorption equilibrium was almost reached within 24 h. The effect of co-existing organic compounds on PFOS adsorption followed the decreasing order of humic acid>1-naphthol>benzoic acid>phenol. Adsorbed amounts of PFOS decreased significantly in the presence of co-existing or preloaded humic acid, and both adsorption energy and effective adsorption sites on the three MWCNTs decreased, resulting in the decrease of PFOS adsorption. With increasing pH, PFOS removal by three MWCNTs decreased in the presence of humic acid and phenol. The adsorbed amounts of different PFCs on the MWCNTs increased in the order of PFBS

关键词： perfluorinated compounds     carbon nanotubes     competitive adsorption     humic acid     perfluorooctane sulfonate (PFOS)    

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Characteristics of carbonyls and volatile organic compounds (VOCs) in residences in Beijing, China

Hengyi DUAN,Xiaotu LIU,Meilin YAN,Yatao WU,Zhaorong LIU

《环境科学与工程前沿（英文）》 2016年 第10卷 第1期   页码 73-84 doi: 10.1007/s11783-014-0743-0

摘要： Volatile organic compounds (VOCs) and carbonyl compounds were measured both indoors and outdoors in 50 residences of Beijing in heating (December, 2011) and non-heating seasons (April/May, 2012). SUMMA canisters for VOCs and diffusive samplers for carbonyl compounds were deployed for 24 h at each site, and 94 compounds were quantified. Formaldehyde, acetone and acetaldehyde were the most abundant carbonyl compounds both indoors and outdoors with indoor median concentrations being 32.1, 21.7 and 15.3 μg·m , respectively. Ethane (17.6 μg·m ), toluene (14.4 μg·m ), propane (11.2 μg·m ), ethene (8.40 μg·m ), n-butane (6.87 μg·m ), and benzene (5.95 μg·m ) showed the high median concentrations in indoor air. Dichloromethane, p-dichlorobenzene (p-DCB) and toluene exhibited extremely high levels in some residences, which were related with a number of indoor emission sources. Moreover, isoprene, p-dichlorobenzene and carbonyls showed median indoor/outdoor (I/O) ratios larger than 3, indicating their indoor sources were prevailing. Chlorinated compounds like CFCs were mainly from outdoor sources for their I/O ratios being less than 1. In addition, indoor concentrations between two sampling seasons varied with different compounds. Carbonyl compounds and some chlorinated compounds had higher concentrations in the non-heating season, while alkanes, alkenes, aromatic compounds showed an increase in the heating season. Indoor concentration of VOCs and carbonyls were influenced by locations, interior decorations and indoor activities, however the specific sources for indoor VOCs and carbonyls could not be easily identified. The findings obtained in this study would significantly enhance our understandings on the prevalent and abundant species of VOCs as well as their concentrations and sources in Beijing residences.

关键词： indoor air     Volatile organic compounds (VOCs)     residence     carbonyl compounds    

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Catalytic conversion of biomass-derived compounds to various amino acids: status and perspectives

《化学科学与工程前沿（英文）》 2023年 第17卷 第7期   页码 817-829 doi: 10.1007/s11705-022-2254-z

摘要： Amino acids are important nitrogen-containing chemicals that have a variety of applications. Currently, fermentation is the widely employed method to produce amino acids; however, the products are mostly limited to natural amino acids in the L-configuration. Catalytic synthesis is an alternative approach for the synthesis of amino acids with different types and configurations, where the use of renewable biomass-based feedstocks is highly attractive. To date, several lignocellulose and triacylglycerol-derived intermediates, typically α-keto acids and α-hydroxyl acids, have been transformed into amino acids via the amination reaction in the presence of additional nitrogen sources (i.e., NH3·H2O). Making full use of inherent nitrogen in biomass (i.e., chitin and protein) to produce amino acids avoids the use of extra nitrogen sources and meets the requirements of green chemistry, which is attracting increasing attention. In this review, we summarize different chemical-catalytic systems for the transformation of biomass to amino acids. An outlook on the challenges and opportunities for more effective production of amino acids from biomass by catalytic methods is provided.

关键词： biomass     amino acids     chitin     nitrogen-containing compounds     lignocellulose    

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Catalytic combustion of volatile organic compounds using perovskite oxides catalysts—a review

《化学科学与工程前沿（英文）》 2023年 第17卷 第11期   页码 1649-1676 doi: 10.1007/s11705-023-2324-x

摘要： With the rapid development of industry, volatile organic compounds (VOCs) are gaining attention as a class of pollutants that need to be eliminated due to their adverse effects on the environment and human health. Catalytic combustion is the most popular technology used for the removal of VOCs as it can be adapted to different organic emissions under mild conditions. This review first introduces the hazards of VOCs, their treatment technologies, and summarizes the treatment mechanism issues. Next, the characteristics and catalytic performance of perovskite oxides as catalysts for VOC removal are expounded, with a special focus on lattice distortions and surface defects caused by metal doping and surface modifications, and on the treatment of different VOCs. The challenges and the prospects regarding the design of perovskite oxides catalysts for the catalytic combustion of VOCs are also discussed. This review provides a reference base for improving the performance of perovskite catalysts to treat VOCs.

关键词： perovskite oxides     volatile organic compounds     catalytic combustion     reaction mechanism    

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New branched benign compounds including double antibiotic scaffolds: synthesis, simulation and adsorption

《化学科学与工程前沿（英文）》 2023年 第17卷 第2期   页码 167-182 doi: 10.1007/s11705-022-2199-2

摘要： In this study, two novel environmental benign double antibiotic norfloxacin or ciprofloxacin scaffolds included branched molecules were prepared by multi-step routes and purified by simple performance, which were used as the target compounds (TCs). Meanwhile, a single norfloxacin or ciprofloxacin skeleton based molecules were synthesized as the reference compounds (RCs). The molecular geometry optimization and material simulation computation revealed that TCs presented smaller HOMO-LUMO energy gaps and larger binding energy levels on mild steel surface than RCs. The chemical adsorption of TCs on steel surface was confirmed by X-ray photoelectron spectroscopy, which could be processed by TCs chelation with iron ions. It was shown that TCs could be self-adsorbed on steel surface, which was demonstrated by atomic force microscopy and scanning electron microscopy. The anticorrosion of the studied compounds for mild steel in HCl solution was investigated by electrochemistry analysis. The results suggested that the anticorrosion efficiency could reach 95.86% (TC1) and 97.05% (TC2) at 0.050 mmol·L−1 based on electrochemical impedance spectroscopy, which were much better than RCs (RC1, 69.23%; RC2, 74.16%). The adsorption isotherms of TCs on steel were further fitted, and a deep insight on adsorption was discussed.

关键词： branched compounds     floxacin scaffold     mild steel     anticorrosion     environmentally benign    

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Indoor carbonyl compounds in an academic building in Beijing, China: concentrations and influencing factors

Chuanjia JIANG, Pengyi ZHANG

《环境科学与工程前沿（英文）》 2012年 第6卷 第2期   页码 184-194 doi: 10.1007/s11783-011-0309-3

摘要： Carbonyl compounds in indoor air are of great concern for their adverse health effects. Between February and May, 2009, concentrations of 13 carbonyl compounds were measured in an academic building in Beijing, China. Total concentration of the detected carbonyls ranged from 20.7 to 189.1 μg·m , and among them acetone and formaldehyde were the most abundant, with mean concentrations of 26.4 and 22.6 μg·m , respectively. Average indoor concentrations of other carbonyls were below 10 μg·m . Principal component analysis identified a combined effect of common indoor carbonyl sources and ventilation on indoor carbonyl levels. Diurnal variations of the carbonyl compounds were investigated in one office room, and carbonyl concentrations tended to be lower in the daytime than at night, due to enhanced ventilation. Average concentrations of carbonyl compounds in the office room were generally higher in early May than in late February, indicating the influence of temperature. Carbonyl source emission rates from both the room and human occupants were estimated during two lectures, based on one-compartment mass balance model. The influence of human occupants on indoor carbonyl concentrations varies with environmental conditions, and may become significant in the case of a large human occupancy.

关键词： carbonyl compounds     indoor air     ventilation     human occupancy     source emission rate (SER)     principal component analysis (PCA)    

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Pollution survey of carbonyl compounds in train air

LU Hao, ZHU Lizhong

《环境科学与工程前沿（英文）》 2007年 第1卷 第1期   页码 125-128 doi: 10.1007/s11783-007-0023-3

摘要： The train is an important vehicle in China, but its air quality has important impacts on passengers health. In this work, pollution from carbonyl compounds was measured in the air of six trains. The objectives of this work were to investigate carbonyl compound levels in selected air from trains, identify their emission sources, and assess the intake of carbonyl compounds for passengers. The methods for sampling and analyzing 10 carbonyl compounds such as formaldehyde, acetaldehyde, acrolein, acetone, propionaldehyde, crotonaldehyde, butyraldehyde, benzaldehyde, cyclohexanone, and valeraldehyde in indoor air were proposed with the sampling efficiency, recovery, and detection limit being 92% 100%, 91% 104%, and 0.26 0.82 ng/m, respectively. It was indicated that the total concentrations of carbonyl compounds were 0.159 0.2828 mg/m with the average concentration of 0.2330 mg/m. The average concentrations of formaldehyde, acetaldehyde and acetone were 0.0922, 0.0499, and 0.0580 mg/m, accounting for 42.6%, 21.4%, and 24.9% of the total concentrations of carbonyl compounds, respectively. The carbonyl compounds probably came from woodwork and cigarette smoking. The intake of carbonyl compounds for the passengers was approximately 0.043 0.076 mg/h. The carbonyl compounds in train air could be harmful to human health.
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Developing the QSPR model for predicting the storage lipid/water distribution coefficient of organic compounds

Miao Li, Jian Li, Yuchen Lu, Cenyang Han, Xiaoxuan Wei, Guangcai Ma, Haiying Yu

《环境科学与工程前沿（英文）》 2021年 第15卷 第2期 doi: 10.1007/s11783-020-1316-z

摘要： Abstract • A predictive model for storage lipid/water distribution coefficient was developed. • The model yields outstanding fitting performance, robustness, and predictive ability. • Hydrophobic and electrostatic interactions and molecular size dominate log Klip/w. • The model can be used in a wide application domain to predict log Klip/w values. The distribution of organic compounds in stored lipids affects their migration, transformation, bioaccumulation, and toxicity in organisms. The storage lipid/water distribution coefficient (log Klip/w) of organic chemicals, which quantitatively determines such distribution, has become a key parameter to assist their ecological security and health risk. Due to the impossibility to measure Klip/w values for a huge amount of chemicals, it is necessary to develop predictive approaches. In this work, a quantitative structure-property relationship (QSPR) model for estimating log Klip/w values of small organic compounds was constructed based on 305 experimental log Klip/w values. Quantum chemical descriptors and n-octanol/water partitioning coefficient were employed to characterize the intermolecular interactions that dominate log Klip/w values. The hydrophobic and electrostatic interactions and molecular size have been found to play important roles in governing the distribution of chemicals between lipids and aqueous phases. The regression (R2 = 0.959) and validation (Q2 = 0.960) results indicate good fitting performance and robustness of the developed model. A comparison with the predictive performance of other commercial software further proves the higher accuracy and stronger predictive ability of the developed Klip/w predictive model. Thus, it can be used to predict the Klip/w values of cycloalkanes, long-chain alkanes, halides (with fluorine, chlorine, and bromine as substituents), esters (without phosphate groups), alcohols (without methoxy groups), and aromatic compounds.

关键词： Storage lipid/water distribution coefficient     log Klip/w     Organic compounds     QSPR     Quantum chemical descriptors    

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Determination and occurrence of endocrine disrupting compounds, pharmaceuticals and personal care products

Yong YU,Laosheng WU

《环境科学与工程前沿（英文）》 2015年 第9卷 第3期   页码 475-481 doi: 10.1007/s11783-014-0640-6

摘要： Endocrine disrupting compounds (EDCs), pharmaceuticals and personal care products (PPCPs) have attracted much attention due to widespread contamination in aquatic environment. In this study, we determined 13 EDCs and PPCPs in fish blood, bile and muscle by using gas chromatography-mass spectrometry (GC-MS). The limits of quantitation (LOQ) were in the ranges of 0.23–2.54, 0.22–2.36 ng·mL , and 0.24–2.57 ng·g dry weight (dw) for fish blood, bile and muscle, respectively. Recoveries of target compounds spiked into sample matrices and passed through the entire analytical procedure ranged from 65% to 95%, from 60% to 92% and from 62% to 91% for blood, bile and muscle, respectively. The methods were applied to the analysis of fish from a lake in California. Target compounds were relatively low in bile, and only bisphenol A (BPA) and diclofenac were measurable near the LOQ. Seven of 13 compounds were detected in blood, with total concentrations up to 39 ng·mL . Only BPA was frequently found in muscle, with mean concentration of 7.26 ng·g dw. The estimated daily intake of BPA through fish consumption for U.S. resident was significantly lower than the tolerable daily intake recommended by the European Food Safety Authority. This study showed that the exposure to the bisphenol A from fish diet is unlikely to pose a health risk.

关键词： endocrine disrupting compounds (EDCs)     pharmaceuticals and personal care products (PPCPs)     fish     bisphenol A (BPA)     risk assessment    

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Phenolic compounds removal by wet air oxidation based processes

Linbi Zhou, Hongbin Cao, Claude Descorme, Yongbing Xie

《环境科学与工程前沿（英文）》 2018年 第12卷 第1期 doi: 10.1007/s11783-017-0970-2

摘要： Wet air oxidation (WAO) and catalytic wet air oxidation (CWAO) are efficient processes to degrade organic pollutants in water. In this paper, we especially reviewed the WAO and CWAO processes for phenolic compounds degradation. It provides a comprehensive introduction to the CWAO processes that could be beneficial to the scientists entering this field of research. The influence of different reaction parameters, such as temperature, oxygen pressure, pH, stirring speed are analyzed in detail; Homogenous catalysts and heterogeneous catalysts including carbon materials, transitional metal oxides and noble metals are extensively discussed, among which Cu based catalysts and Ru catalysts were shown to be the most active. Three different kinds of the reactor implemented for the CWAO (autoclave, packed bed and membrane reactors) are illustrated and compared. To enhance the degradation efficiency and reduce the cost of the CWAO process, biological degradation can be combined to develop an integrated technology.

关键词： Wet air oxidation     Catalytic wet air oxidation     Phenolic compounds     Heterogeneous catalysts     Mechanism    

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标题 作者 时间 类型 操作

Trends of chemical speciation profiles of anthropogenic volatile organic compounds emissions in China

Wei WEI, Shuxiao WANG, Jiming HAO, Shuiyuan CHENG

期刊论文

Chemical transdifferentiation: closer to regenerative medicine

null

期刊论文

Chemical speciation and anthropogenic sources of ambient volatile organic compounds (VOCs) during summer

LU Sihua, LIU Ying, SHAO Min, HUANG Shan

期刊论文

Trace analysis of off-flavor/odor compounds in water using liquid-liquid microextraction coupled withgas chromatography—positive chemical ionization-tandem mass spectrometry

Jian LU,Paul S. WILLS,P. CHRIS WILSON

期刊论文

Recent advances in electrochemical decontamination of perfluorinated compounds from water: a review

期刊论文

Effect of co-existing organic compounds on adsorption of perfluorinated compounds onto carbon nanotubes

Shubo DENG,Yue BEI,Xinyu LU,Ziwen DU,Bin WANG,Yujue WANG,Jun HUANG,Gang YU

期刊论文

Characteristics of carbonyls and volatile organic compounds (VOCs) in residences in Beijing, China

Hengyi DUAN,Xiaotu LIU,Meilin YAN,Yatao WU,Zhaorong LIU

期刊论文

Catalytic conversion of biomass-derived compounds to various amino acids: status and perspectives

期刊论文

Catalytic combustion of volatile organic compounds using perovskite oxides catalysts—a review

期刊论文

New branched benign compounds including double antibiotic scaffolds: synthesis, simulation and adsorption

期刊论文

Indoor carbonyl compounds in an academic building in Beijing, China: concentrations and influencing factors

Chuanjia JIANG, Pengyi ZHANG

期刊论文

Pollution survey of carbonyl compounds in train air

LU Hao, ZHU Lizhong

期刊论文

Developing the QSPR model for predicting the storage lipid/water distribution coefficient of organic compounds

Miao Li, Jian Li, Yuchen Lu, Cenyang Han, Xiaoxuan Wei, Guangcai Ma, Haiying Yu

期刊论文

Determination and occurrence of endocrine disrupting compounds, pharmaceuticals and personal care products

Yong YU,Laosheng WU

期刊论文

Phenolic compounds removal by wet air oxidation based processes

Linbi Zhou, Hongbin Cao, Claude Descorme, Yongbing Xie

期刊论文