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Simultaneous analysis of five taste and odor compounds in surface water using solid-phase extraction and gaschromatography-mass spectrometry

Wenfeng SUN, Ruibao JIA, Baoyu GAO

《环境科学与工程前沿（英文）》 2012年 第6卷 第1期   页码 66-74 doi: 10.1007/s11783-010-0257-3

摘要： In this paper, a method using solid-phase extraction (SPE) and gas chromatography-mass spectrometry (GC-MS) was developed to simultaneously analyze five taste and odor compounds in surface water, i.e., 2-methylisoborneol (2-MIB), 2,4,6-trichloroanisole (TCA), 2-isopropyl-3-methoxy pyrazine (IPMP), 2-isobutyl-3-methoxy pyrazine (IBMP), and -1,10-dimethyl- -9-decalol (geosmin, GSM). The mass spectrometry was operated in selective ion monitoring (SIM) mode. Three kinds of SPE columns and three eluting solvents were compared, the C18 column was chosen as optimum SPE column, and methanol was chosen as the optimum eluting solvent. It was found that the method showed good linearity in the range of 1–200 ng·L and gave detection limits of 0.5–1.5 ng·L for individual compounds. Good recoveries (93.5%–108%) and relative standard deviations (1.58%–7.31%) were also obtained. Additionally, concentrations of these taste and odor compounds in Jinan’s surface and drinking water were analyzed by applying this method, and the results showed that GSM and 2-MIB were the dominant taste and odor compounds in Jinan’s raw water.

关键词： solid-phase extraction (SPE)     gas chromatography-mass spectrometry (GC-MS)     taste and odor compounds     surface water     micropollutant    

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Statistical modeling of radiolytic (

G. S. Muthu Iswarya, B. Nirkayani, A. Kavithakani, V. C. Padmanaban

《环境科学与工程前沿（英文）》 2019年 第13卷 第3期 doi: 10.1007/s11783-019-1126-3

摘要：

Linear, interactive and quadratic effects of process parameters were studied.

Degradation of Ofloxacin (Ofx) was related with G value of irradiation process.

The synergistic effect of H2O2 on lower dose of g-irradiation was established.

The process follows pseudo first order with dose constant (d = 0.232 kGy–1).

关键词： Ofloxacin     Gamma irradiation     Face centered central composite design     Reaction kinetics     Gas Chromatography-Mass spectrum    

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Detection of geosmin and 2-methylisoborneol by liquid-liquid extraction-gas chromatograph mass spectrum(LLE-GCMS) and solid phase extraction-gas chromatograph mass spectrum (SPE-GCMS)

MA Xiaoyan, CHEN Beibei, LI Qingsong, ZHANG Qiaoli, GU Guofen

《环境科学与工程前沿（英文）》 2007年 第1卷 第3期   页码 286-291 doi: 10.1007/s11783-007-0048-7

摘要： Two sample preparation methods were introduced and compared in this paper to establish a simple, quick and exact analysis of geosmin and 2-methylisoborneol. LC-18 column was employed in solid phase extraction (SPE), 1.0 mL of hexane was adopted in liquid-liquid extraction (LLE), and the extracts were analyzed by gas chromatograph mass spectrum (GCMS) in selected ion mode. Mean recoveries of SPE were low for 2-methylisoborneol (2-MIB) and geosmin (GSM) with values below 50%. For LLE, the recoveries were satisfyingly above 50% for 2-MIB and 80% for GSM. Detection limits of the LLE method were as low as 1.0 ng/L for GSM and 5.0 ng/L for 2-MIB. A year-long investigation on odor chemicals of drinking water in Shanghai demonstrated that in the summer, there was a serious odor problem induced by a high concentration of 2-MIB. The highest concentration of 152.82 ng/L appeared in July in raw water, while GSM flocculation was minimal with concentrations below odor threshold.

关键词： summer     flocculation     simple     Shanghai     spectrum    

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Trace analysis of off-flavor/odor compounds in water using liquid-liquid microextraction coupled with gaschromatography—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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organic compounds in water using automated online solid-phase extraction with large-volume injection/gaschromatography/mass spectrometry

Yongtao LI, Christina L. MCCARTY, Ed J. GEORGE

《环境科学与工程前沿（英文）》 2011年 第5卷 第3期   页码 417-425 doi: 10.1007/s11783-011-0310-x

摘要： A rapid, sensitive, and cost-effective analytical method was developed for the analysis of selected semi-volatile organic compounds in water. The method used an automated online solid-phase extraction technique coupled with programmed-temperature vaporization large-volume injection gas chromatography/mass spectrometry. The water samples were extracted by using a fully automated mobile rack system based on x-y-z robotic techniques using syringes and disposable 96-well extraction plates. The method was validated for the analysis of 30 semi-volatile analytes in drinking water, groundwater, and surface water. For a sample volume of 10 mL, the linear calibrations ranged from 0.01 or 0.05 to 2.5μg·L , and the method detection limits were less than 0.1μg·L . For the reagent water samples fortified at 1.0μg·L and 2.0?μg·L , the obtained mean absolute recoveries were 70%–130% with relative standard deviations of less than 20% for most analytes. For the drinking water, groundwater, and surface water samples fortified at 1.0μg·L , the obtained mean absolute recoveries were 50%–130% with relative standard deviations of less than 20% for most analytes. The new method demonstrated three advantages: 1) no manipulation except the fortification of surrogate standards prior to extraction; 2) significant cost reduction associated with sample collection, shipping, storage, and preparation; and 3) reduced exposure to hazardous solvents and other chemicals. As a result, this new automated method can be used as an effective approach for screening and/or compliance monitoring of selected semi-volatile organic compounds in water.

关键词： automated solid-phase extraction     programmed-temperature vaporization     large-volume injection     gas chromatography/mass spectrometry     semi-volatile organic compounds     water analysis    

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Determination of persistent organic pollutants by gas chromatography/laser multiphoton ionization/time-of-flightmass spectrometry

Osamu SHITAMICHI, Taiki MATSUI, Yamei HUI, Weiwei CHEN, Totaro IMASAKA

《环境科学与工程前沿（英文）》 2012年 第6卷 第1期   页码 26-31 doi: 10.1007/s11783-011-0374-7

摘要： An authentic mixture of polychlorinated biphenyls was measured using a short wide-bore capillary column for the group separation of major components present in an actual sample of Kanechlor. The limits of detection were improved by ca. 2 fold in comparison with those obtained using a conventional capillary column, since the retention time was reduced and the amount of analytes introduced into the mass spectrometer per unit time could be increased. On the other hand, surface-water and sediment samples containing polycyclic aromatic hydrocarbons (PAHs) were collected from the river located in the vicinity of a waste water treatment plant. Even acenaphthylene, a minor component of the mixture could be measured for the sediment sample, and the concentrations were determined for several heavy PAHs. As demonstrated, a technique involving laser multiphoton ionization/time-of-flight mass spectrometry was useful as a sensitive and selective analytical tool for the trace analysis of persistent organic pollutants in an environmental sample.

关键词： polychlorinated biphenyls (PCBs)     polycyclic aromatic hydrocarbons (PAHs)     laser multiphoton ionization/time-of-flight mass spectrometry (MPI/TOF-MS)    

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High-throughput metabolomics reveals the perturbed metabolic pathways and biomarkers of Yang Huang syndrome as potential targets for evaluating the therapeutic effects and mechanism of geniposide

Heng Fang, Aihua Zhang, Xiaohang Zhou, Jingbo Yu, Qi Song, Xijun Wang

《医学前沿（英文）》 2020年 第14卷 第5期   页码 651-663 doi: 10.1007/s11684-019-0709-5

摘要： High-throughput metabolomics can clarify the underlying molecular mechanism of diseases via the qualitative and quantitative analysis of metabolites. This study used the established Yang Huang syndrome (YHS) mouse model to evaluate the efficacy of geniposide (GEN). Urine metabolic data were quantified by ultra-performance liquid chromatography–tandem mass spectrometry. The non-target screening of the massive biological information dataset was performed, and a total of 33 metabolites, including tyramine glucuronide, aurine, and L-cysteine, were identified relating to YHS. These differential metabolites directly participated in the disturbance of phase I reaction and hydrophilic transformation of bilirubin. Interestingly, they were completely reversed by GEN. While, as the auxiliary technical means, we also focused on the molecular prediction and docking results in network pharmacological and integrated analysis part. We used integrated analysis to communicate the multiple results of metabolomics and network pharmacology. This study is the first to report that GEN indirectly regulates the metabolite “tyramine glucuronide” through its direct effect on the target heme oxygenase 1 . Meanwhile, heme oxygenase-1, a prediction of network pharmacology, was the confirmed metabolic enzyme of phase I reaction in hepatocytes. Our study indicated that the combination of high-throughput metabolomics and network pharmacology is a robust combination for deciphering the pathogenesis of the traditional Chinese medicine (TCM) syndrome.

关键词： metabolomics     liquid chromatography-mass spectrometry     metabolites     metabolic pathways    

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Simultaneous quantification of several classes of antibiotics in water, sediments, and fish muscles by liquid chromatography–tandemmass spectrometry

WEI Yimei,ZHANG Yuan,XU Jian,GUO Changsheng,LI Lei,FAN Wenhong

《环境科学与工程前沿（英文）》 2014年 第8卷 第3期   页码 357-371 doi: 10.1007/s11783-013-0580-6

摘要： Precise and sensitive methods for the simultaneous determination of different classes of antibiotics, including sulphonamides, fluoroquinolones, macrolides, tetracyclines, and trimethoprim in surface water, sediments, and fish muscles were developed. In water samples, drugs were extracted with solid-phase extraction (SPE) by passing 1000 mL of water through hydrophilic lipophilic balanced (HLB) SPE cartridges. Sediment samples were solvent-extracted, followed by tandem SPE (strong anion exchange (SAX) + HLB) clean-ups. Fish muscles were extracted by a mixture of acetonitrile and citric buffer (80:20, v/v) solution, and cleaned by SPE. Liquid chromatography–tandem mass spectrometry (LC-MS/MS) with multiple reaction monitoring (MRM) detection was employed to quantify all compounds. The recoveries for the antibiotics in the spiked water, sediment, and fish samples were 60.2%–95.8%, 48.1%–105.3%, and 59.8%–103.4%, respectively. The methods were applied to samples taken from Dianchi Lake, China. It showed that concentrations of the detected antibiotics ranged from limits of quantification (LOQ) to 713.6 ng·L (ofloxacin) in surface water and from less than LOQ to 344.8 μg·kg (sulphamethoxazole) in sediments. The number of detected antibiotics and the overall antibiotic concentrations were higher in the urban area than the rural area, indicating the probable role of livestock and human activities as important sources of antibiotic contamination. In fish muscles, the concentration of norfloxacin was the highest (up to 38.5 μg·kg ), but tetracyclines and macrolides were relatively low. Results showed that the methods were rapid and sensitive, and capable of determining several classes of antibiotics from each of the water, sediment, and fish matrices in a single run.

关键词： antibiotics     liquid chromatography–tandem mass spectrometry (LC-MS/MS)     water     sediment     fish muscle    

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Pyrolysis behaviors of oil sludge based on TG/FTIR and PY-GC/MS

Wei SONG, Jianguo LIU, Yongfeng NIE,

《环境科学与工程前沿（英文）》 2010年 第4卷 第1期   页码 59-64 doi: 10.1007/s11783-009-0152-y

摘要： Pyrolysis is an alternative technology for oil sludge treatment. Thermogravimetric Analysis-Fourier Transform Infrared Spectroscopy and Pyrolysis-Gas Chromatography/Mass Spectrometry were employed to investigate the pyrolysis process and products of oil sludge. The pyrolysis process was divided into five stages: drying and gas desorption, oil volatilization, main pyrolysis, semi-coke charring, and mineral decomposition. The main reaction temperatures ranged from 497.6 K to 753.2 K. The products were mainly composed of pairs of alkane and alkene (carbon number ranges from 1 to 27). The mechanisms consisted of random chain scission followed by end chain scission at high temperatures with volatilization occurring during the whole process. This study is useful not only for the proper design of a pyrolysis system, but also for improving the utilization of liquid oil products.

关键词： oil sludge     pyrolysis     Thermogravimetric Analysis-Fourier Transform Infrared Spectroscopy (TG-FTIR)     Pyrolysis-Gas Chromatography/Mass Spectrometry (PY-GC/MS)    

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Simulation of interfacial Marangoni convection in gas-liquid mass transfer by lattice Boltzmann method

Shuyong CHEN, Xigang YUAN, Bo FU, Kuotsung YU

《化学科学与工程前沿（英文）》 2011年 第5卷 第4期   页码 448-454 doi: 10.1007/s11705-011-1142-8

摘要： Interfacial Marangoni convection has significant effect on gas-liquid and/or liquid-liquid mass transfer processes. In this paper, an approach based on lattice Boltzmann method is established and two perturbation models, fixed perturbation model and self-renewable interface model, are proposed for the simulation of interfacial Marangoni convection in gas-liquid mass transfer process. The simulation results show that the concentration contours are well consistent with the typical roll cell convection patterns obtained experimentally in previous studies.

关键词： interfacial Marangoni convection     lattice Boltzmann method     gas-liquid mass transfer    

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Characteristics and removal mechanism of the precursors of N-chloro-2,2-dichloroacetamide in a drinking water treatment process at Taihu Lake

《环境科学与工程前沿（英文）》 2021年 第15卷 第5期 doi: 10.1007/s11783-020-1338-6

摘要：

• N-Cl-DCAM, an emerging N-DBP in drinking water was investigated.

关键词： N-chloro-2     2-dichloroacetamide     Liquid chromatography with tandem mass spectrometry     Precursors     Removal efficiency     Ozonation integrated with biological activated carbon    

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Detecting

Chengkun WANG, Xiaojian ZHANG, Jun WANG, Chao CHEN

《环境科学与工程前沿（英文）》 2012年 第6卷 第6期   页码 770-777 doi: 10.1007/s11783-012-0412-0

摘要： nitrosodimethylamine (NDMA) and several other nitrosamines have been detected as disinfection by-products in drinking waters in many countries around the world. An ultra-performance liquid chromatography-tandem mass spectrometry method with solid phase extraction sample preparation was developed to study the occurrence of nitrosamines in several water treatment plants and distribution systems in China. Isotope labeled nitrosodi- propylamine-d14 (NDPA-d14) was selected as the internal standard for quantification. The solid phase extraction procedures including pH, enrichment process and MS/MS parameters including capillary voltage, cone gas flow, cone voltage, collision energy were optimized to give average recoveries of 26% to 112% for nine nitrosamine species. The instrument detection limits were estimated to range from 0.5 to 5 μg·L for the nine nitrosamine species. NDMA and several other nitrosamines were found at fairly high concentrations in several water treatment plants and distribution systems. NDMA was found in all locations, and the highest concentrations in cities B, G, T, and W were 3.0, 35.7, 21.3, and 19.7 ng·L , respectively. A wide range of nitrosamines concentrations and species were observed in different locations. Higher concentrations of nitrosamines were detected in distribution systems that were further away from the treatment plants, suggesting that the contact time between the residual disinfectant and natural organic matter may play an important role in the formation of these compounds.

关键词： N-nitrosamines     water treatment plant     distribution system     ultra-performance liquid chromatography-tandem mass spectrometry    

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Influence of mass air flow ratio on gas-particle flow characteristics of a swirl burner in a 29 MW pulverized

Rong YAN, Zhichao CHEN, Shuo GUAN, Zhengqi LI

《能源前沿（英文）》 2021年 第15卷 第1期   页码 68-77 doi: 10.1007/s11708-020-0697-9

摘要： In a gas/particle two-phase test facility, a three-component particle-dynamics anemometer was used to measure the characteristics of gas/particle two-phase flows in a 29 megawatt (MW) pulverized coal industrial boiler equipped with a new type of swirling pulverized coal burner. The distributions of three-dimensional gas/particle velocity, particle volume flux, and particle size distribution were measured under different working conditions. The mean axial velocity and the particle volume flux in the central region of the burner outlet were found to be negative. This indicated that a central recirculation zone was formed in the center of the burner. In the central recirculation zone, the absolute value of the mean axial velocity and the particle volume flux increased when the external secondary air volume increased. The size of the central reflux zone remained stable when the air volume ratio changed. Along the direction of the jet, the peak value formed by the tertiary air gradually moved toward the center of the burner. This tertiary air was mixed with the peak value formed by the air in the adiabatic combustion chamber after the cross-section of / = 0.7. Large particles were concentrated near the wall area, and the particle size in the recirculation zone was small.

关键词： industrial pulverized coal boiler     swirl burner     air/particle flow     particle dynamic analyzer (PDA)    

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Simulation of blast induced crater in jointed rock mass by discontinuous deformation analysis method

Youjun NING, Xinmei AN, Jun YANG, Guowei MA,

《结构与土木工程前沿（英文）》 2010年 第4卷 第2期   页码 223-232 doi: 10.1007/s11709-010-0022-5

摘要： Rock blasting is a dynamic process accompanied with the propagations of shock waves and the dispersion of the explosion gas. This paper adopts the discontinuous deformation analysis (DDA) method to simulate the rock blasting process. A dynamic parameter adjustment and the non-reflecting boundary condition are implemented in the DDA method. The sub-block DDA method to simulate fracture problems is used. The blasting process in jointed rock mass is simulated by application of the explosion gas pressure on the expanding borehole walls and induced connected fracture surfaces around the boreholes. The blast craters with different overburdens are derived. The whole process including the explosion gas dispersion, borehole expansion, rock mass failure and cast, and the formation of the final blasting piles in rock blasting are well reproduced numerically. Parametric study for different overburdens is carried out, and the results are analyzed and discussed.

关键词： blast crater     jointed rock mass     explosion gas pressure     discontinuous deformation analysis (DDA) method    

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气体分布板开孔结构对流化干燥滞留率的影响

刘巍,汤文成

《中国工程科学》 2006年 第8卷 第6期   页码 41-43

摘要：

滞留率是确定流化干燥死床点的重要参数。针对气体分布板开直孔和开斜孔的惰性粒子流化床干燥器，以洗衣粉悬浮液为对象，考查了进料量、惰性粒子直径、进风温度、静床高、进风速度以及物料初始浓度对干燥器滞留率的影响，分析了气体分布板开直孔和开斜孔时干燥器滞留率的大小，并以气体分布板开斜孔为例，测定了干燥器的生产能力与板开孔率之间的关系曲线。结果表明，滞留率随进料量和物料初始浓度的提高而增大，随惰性粒子直径、进风温度、静床高和进风速度的提高而减小；若将气体分布板的孔道由直孔改为斜孔，并在此基础上适当增加板的开孔率，可有效降低干燥器的滞留率，提高干燥器的生产能力。

关键词： 惰性粒子     流化干燥     气体分布板     开孔形状     开孔率     滞留率    

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标题 作者 时间 类型 操作

Simultaneous analysis of five taste and odor compounds in surface water using solid-phase extraction and gaschromatography-mass spectrometry

Wenfeng SUN, Ruibao JIA, Baoyu GAO

期刊论文

Statistical modeling of radiolytic (

G. S. Muthu Iswarya, B. Nirkayani, A. Kavithakani, V. C. Padmanaban

期刊论文

Detection of geosmin and 2-methylisoborneol by liquid-liquid extraction-gas chromatograph mass spectrum(LLE-GCMS) and solid phase extraction-gas chromatograph mass spectrum (SPE-GCMS)

MA Xiaoyan, CHEN Beibei, LI Qingsong, ZHANG Qiaoli, GU Guofen

期刊论文

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

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

期刊论文

organic compounds in water using automated online solid-phase extraction with large-volume injection/gaschromatography/mass spectrometry

Yongtao LI, Christina L. MCCARTY, Ed J. GEORGE

期刊论文

Determination of persistent organic pollutants by gas chromatography/laser multiphoton ionization/time-of-flightmass spectrometry

Osamu SHITAMICHI, Taiki MATSUI, Yamei HUI, Weiwei CHEN, Totaro IMASAKA

期刊论文

High-throughput metabolomics reveals the perturbed metabolic pathways and biomarkers of Yang Huang syndrome as potential targets for evaluating the therapeutic effects and mechanism of geniposide

Heng Fang, Aihua Zhang, Xiaohang Zhou, Jingbo Yu, Qi Song, Xijun Wang

期刊论文

Simultaneous quantification of several classes of antibiotics in water, sediments, and fish muscles by liquid chromatography–tandemmass spectrometry

WEI Yimei,ZHANG Yuan,XU Jian,GUO Changsheng,LI Lei,FAN Wenhong

期刊论文

Pyrolysis behaviors of oil sludge based on TG/FTIR and PY-GC/MS

Wei SONG, Jianguo LIU, Yongfeng NIE,

期刊论文

Simulation of interfacial Marangoni convection in gas-liquid mass transfer by lattice Boltzmann method

Shuyong CHEN, Xigang YUAN, Bo FU, Kuotsung YU

期刊论文

Characteristics and removal mechanism of the precursors of N-chloro-2,2-dichloroacetamide in a drinking water treatment process at Taihu Lake

期刊论文

Detecting

Chengkun WANG, Xiaojian ZHANG, Jun WANG, Chao CHEN

期刊论文

Influence of mass air flow ratio on gas-particle flow characteristics of a swirl burner in a 29 MW pulverized

Rong YAN, Zhichao CHEN, Shuo GUAN, Zhengqi LI

期刊论文

Simulation of blast induced crater in jointed rock mass by discontinuous deformation analysis method

Youjun NING, Xinmei AN, Jun YANG, Guowei MA,

期刊论文

气体分布板开孔结构对流化干燥滞留率的影响

刘巍,汤文成

期刊论文