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

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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Selection and characterization of eight freshwater green algae strains for synchronous water purificationand lipid production

Jingjing ZHAN,Qiao ZHANG,Momei QIN,Yu HONG

《环境科学与工程前沿（英文）》 2016年 第10卷 第3期   页码 548-558 doi: 10.1007/s11783-016-0831-4

摘要： The objective of this study is to select and characterize the candidate for synchronous water purification and lipid production from eight freshwater microalgae strains ( sp. HQ, , , , , , , sp. LX1). The strains sp. HQ, . , and . showed superiority in biomass accumulation, while the top biomass producers did not correspond to the top lipid producers. achieved higher lipid content (66.1%), and sp. HQ and ranked down in sequence, with lipid content above 30%. Considering nutrient removal ability (total nitrogen (TN): 52.97%; total phosphorus (TP): 84.81%), the newly isolated microalga sp. HQ was the possible candidate for water purification coupled with lipid production. To further investigate the lipid producing and nutrient removal mechanism of candidate microalga, the ultra structural changes especially the lipid droplets under different water qualities (different TN and TP concentrations) were characterized. The results elucidate the nutrient-deficiency (TN: 3.0 mg·L ; TP: 0.3 mg·L ) condition was in favor of forming lipid bodies in sp. HQ at the sub-cellular level, while the biomass production was inhibited due to the decrease in chloroplast number which could further suppress the nutrient removal effect. Finally, a two-phase cultivation process (a nutrient replete phase to produce biomass followed by a nutrient deplete phase to enhance lipid content) was conducted in a photo-bioreactor for sp. HQ to serve for algae-based synchronous biodiesel production and wastewater purification.

关键词： freshwater microalgae     biomass production     lipid accumulation     nutrient removal    

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Repeated batch fermentation with water recycling and cell separation for microbial lipid production

Yumei WANG, Wei LIU, Jie BAO

《化学科学与工程前沿（英文）》 2012年 第6卷 第4期   页码 453-460 doi: 10.1007/s11705-012-1210-8

摘要： Large waste water disposal was the major problem in microbial lipid fermentation because of low yield of lipid. In this study, the repeated batch fermentation was investigated for reducing waste water generated in the lipid fermentation of an oleaginous yeast CX1 strain. The waste fermentation broth was recycled in the next batch operation after the cells were separated using two different methods, centrifugation and flocculation. Two different sugar substrates, glucose and inulin, were applied to the proposed operation. The result showed that at least 70% of the waste water was reduced, while lipid production maintained satisfactory in the initial four cycles. Furthermore, it is suggested that CX1 cells might produce certain naturally occurring inulin hydrolyzing enzyme(s) for obtaining fructose and glucose from inulin directly. Our method provided a practical option for reducing the waste water generated from microbial lipid fermentation.

关键词： batch fermentation     microbial lipid     Trichosporon cutaneum CX1     flocculation     waste water recycle    

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Data-driven distribution network topology identification considering correlated generation power of distributed

《能源前沿（英文）》 2022年 第16卷 第1期   页码 121-129 doi: 10.1007/s11708-021-0780-x

摘要： This paper proposes a data-driven topology identification method for distribution systems with distributed energy resources (DERs). First, a neural network is trained to depict the relationship between nodal power injections and voltage magnitude measurements, and then it is used to generate synthetic measurements under independent nodal power injections, thus eliminating the influence of correlated nodal power injections on topology identification. Second, a maximal information coefficient-based maximum spanning tree algorithm is developed to obtain the network topology by evaluating the dependence among the synthetic measurements. The proposed method is tested on different distribution networks and the simulation results are compared with those of other methods to validate the effectiveness of the proposed method.

关键词： power distribution network     data-driven     topology identification     distributed energy resource     maximal information coefficient    

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Hazard and vulnerability evaluation of water distribution system in cases of contamination intrusion

Kunlun XIN, Tao TAO, Yong WANG, Suiqing LIU

《环境科学与工程前沿（英文）》 2012年 第6卷 第6期   页码 839-848 doi: 10.1007/s11783-012-0409-8

摘要： In this paper, it proposed an index system for hazard and vulnerability evaluations of water distribution networks, based on the simulation of contamination events caused by pollutant injections at different junctions. It attempted to answer the following two questions in the case of contamination events: 1) Which are the most hazardous junctions? 2) Which are the most vulnerable junctions? With EPANET toolkit, it simulated the propagation of the contaminant, and calculated the peak concentration of the contaminant and mass delivered at different nodes. According to types of consumers, different weights were assigned to the consumer nodes for assessing the influence of the contaminant on the consumers. Using the method proposed herein, both the hazard index and vulnerability index were calculated for each node in the pipe network. The presented method was therefore applied to the water network of the city of Zhenjiang, which contains two water plants, two booster pump stations with storage tanks. In conclusion, the response time, the relationships between the peak concentration of contaminant and the total absorption are the most important factors in hazard and vulnerability evaluation of the water distribution network.

关键词： water distribution network     hazard     vulnerability     contaminant accident    

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Copper and zinc interaction on water clearance and tissue metal distribution in the freshwater mussel

Tianxiang XIA, Xuehua LIU

《环境科学与工程前沿（英文）》 2011年 第5卷 第2期   页码 236-242 doi: 10.1007/s11783-010-0218-8

摘要： Copper and zinc interaction on clearance from water and distribution in different tissues was investigated for the freshwater mussel, , under laboratory conditions. Clearance rate of Cu or Zn from water was highly dependent on exposure concentration. Interaction effect was most evident at 300 μg·L Cu exposure and depressed the Zn clearance rate significantly ( <0.05). However, the presence of 100 μg·L and 300 μg·L Zn hardly affected the Cu clearance rate. The 300 μg·L Cu presence enhanced Cu accumulation in each tissue most significantly ( <0.01), but caused Zn content to decrease in the gills by 62% ( <0.05), viscera by 49% ( <0.05) and foot by 31% ( <0.05), and increase in the mantle by 97% ( <0.05) and the muscles by 243% ( <0.05) for different Zn exposure treatments. The response of metal accumulation in various tissues of the test mussels indicated that Zn transferred from the gills, viscera and foot to the mantle and muscles might be one of the important characteristics of the Zn regulatory mechanism by leading to a narrow range of Zn concentration in the different tissues.

关键词： interaction     mussel     copper     zinc     clearance     distribution    

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Molecular analysis of bacterial community in the tap water with different water ages of a drinking waterdistribution system

Feng Wang, Weiying Li, Yue Li, Junpeng Zhang, Jiping Chen, Wei Zhang, Xuan Wu

《环境科学与工程前沿（英文）》 2018年 第12卷 第3期 doi: 10.1007/s11783-018-1020-4

摘要： Bacterial community in the drinking water distribution system (DWDS) was regulated by multiple environmental factors, many of which varied as a function of water age. In this study, four water samples with different water ages, including finished water (FW, 0 d) and tap water (TW) [TW1 (1 d), TW2(2 d) and TW3(3 d)], were collected along with the mains of a practical DWDS, and the bacterial community was investigated by high-throughput sequencing technique. Results indicated that the residual chlorine declined with the increase of water age, accompanied by the increase of dissolved organic matter, total bacteria counts and bacterial diversity (Shannon). For bacterial community composition, although Proteobacteria phylum (84.12%-97.6%) and Alphaproteobacteria class (67.42%-93.09%) kept dominate, an evident regular was observed at the order level. In detail, the relative abundance of most of other residual orders increased with different degrees from the start to the end of the DWDS, while a downward trend was uniquely observed in terms of Rhizobiales, who was inferred to be chlorine-resistant and be helpful for inhibiting pipes corrosion. Moreover, some OTUs were found to be closely related with species possessing pathogenicity and chlorine-resistant ability, so it was recommended that the use of agents other than chlorine or agents that can act synergically with chlorine should be developed for drinking water disinfection. This paper revealed bacterial community variations along the mains of the DWDS and the result was helpful for understanding bacterial ecology in the DWDS.

关键词： Bacterial community     Water age     High-throughput sequencing technique     Drinking water distribution system    

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Estimation of distribution algorithm enhanced particle swarm optimization for water distribution network

Xuewei QI,Ke LI,Walter D. POTTER

《环境科学与工程前沿（英文）》 2016年 第10卷 第2期   页码 341-351 doi: 10.1007/s11783-015-0776-z

摘要： The optimization of a water distribution network (WDN) is a highly nonlinear, multi-modal, and constrained combinatorial problem. Particle swarm optimization (PSO) has been shown to be a fast converging algorithm for WDN optimization. An improved estimation of distribution algorithm (EDA) using historic best positions to construct a sample space is hybridized with PSO both in sequential and in parallel to improve population diversity control and avoid premature convergence. Two water distribution network benchmark examples from the literature are adopted to evaluate the performance of the proposed hybrid algorithms. The experimental results indicate that the proposed algorithms achieved the literature record minimum (6.081 M$) for the small size Hanoi network. For the large size Balerma network, the parallel hybrid achieved a slightly lower minimum (1.921M?) than the current literature reported best minimum (1.923M?). The average number of evaluations needed to achieve the minimum is one order smaller than most existing algorithms. With a fixed, small number of evaluations, the sequential hybrid outperforms the parallel hybrid showing its capability for fast convergence. The fitness and diversity of the populations were tracked for the proposed algorithms. The track record suggests that constructing an EDA sample space with historic best positions can improve diversity control significantly. Parallel hybridization also helps to improve diversity control yet its effect is relatively less significant.

关键词： particle swarm optimization (PSO)     diversity control     estimation of distribution algorithm (EDA)     water distribution network (WDN)     premature convergence     hybrid strategy    

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Application of Ice Pigging in a Drinking Water Distribution System: Impacts on Pipes and Bulk Water Quality

Yujing Huang,Zhiwei Chen,Guilin He,Yu Shao,Shuang Song,Feilong Dong,Tuqiao Zhang,

《工程（英文）》 doi: 10.1016/j.eng.2023.09.016

摘要： Ice pigging is an emerging technique for pipe cleaning in drinking water distribution systems. However, substantial confusion and controversy exist on the potential impacts of ice pigging on bulk water quality. This study monitored the microstructural features and composition of sediments and microbial community structures in bulk water in eight multimaterial Chinese networks. Chloride concentration analysis demonstrated that separate cleaning of pipes with different materials in complex networks could mitigate the risk of losing ice pigs and degrading water quality. The microstructural and trace element characterization results showed that ice pigs would scarcely disturb the inner surfaces of long-used pipes. The bacterial richness and diversity of bulk water decreased significantly after ice pigging. Furthermore, correlations were established between pipe service age, temperature, total iron and chloride concentrations, and the 15 most abundant taxa in bulk water, which could be used to guide practical ice pigging operations.

关键词： Ice pigging     Pipe cleaning     Drinking water distribution system     Bacterial community     Sediments    

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A red water occurrence in drinking water distribution systems caused by changes in water source in Beijing

ZHANG Xiaojian,MI Zilong,WANG Yang,LIU Shuming,NIU Zhangbin,LU Pinpin,WANG Jun,GU Junnong,CHEN Chao

《环境科学与工程前沿（英文）》 2014年 第8卷 第3期   页码 417-426 doi: 10.1007/s11783-013-0558-4

摘要： A red water phenomenon occurred in several communities few days after the change of water source in Beijing, China in 2008. In this study, the origin of this problem, the mechanism of iron release and various control measures were investigated. The results indicated that a significant increase in sulphate concentration as a result of the new water source was the cause of the red water phenomenon. The mechanism of iron release was found that the high-concentration sulphate in the new water source disrupted the stable shell of scale on the inner pipe and led to the release of iron compounds. Experiments showed that the iron release rate in the new source water within pipe section was over 11-fold higher than that occurring within the local source water. The recovery of tap water quality lasted several months despite ameliorative measures being implemented, including adding phosphate, reducing the overall proportion of the new water source, elevating the pH and alkalinity, and utilizing free chlorine as a disinfectant instead of chloramine. Adding phosphate was more effective and more practical than the other measures. The iron release rate was decreased after the addition of 1.5 mg·L orthophosphate- P, tripolyphosphate-P and hexametaphosphate-P by 68%, 83% and 87%, respectively. Elevating the pH and alkalinity also reduced the iron release rate by 50%. However, the iron release rate did not decreased after replacing chloramine by 0.5–0.8 mg·L of free chlorine as disinfectant.

关键词： iron release     drinking water distribution system     sulphate     phosphate     red water control     water quality stability    

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水·水资源·农业节水

刘更另

《中国工程科学》 2000年 第2卷 第7期   页码 39-42

摘要：

文章从水性质特点谈到中国水资源的问题，认为不能单纯用年平均降雨量的多少来判定中国水资源的状况，水资源开发利用的好坏决定于人类社会的调节和管理。中国水资源总的来说是够用的，最大问题是降水量的时空分布不平衡。

中国农民几千年来创造了许多治水蓄水用水的经验。农业节水非常重要，关键在"分散蓄水，分散使用"，以减少径流在汇集和分散过程中的损失和污染，在提高水的利用效率方面有一系列的科研和实际工作要做。

关键词： 水     水资源     农业节水     分散蓄水    

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Thermal performance of phase change material energy storage floor for active solar water-heating system

Ruolang ZENG, Xin WANG, Wei XIAO, Yinping ZHANG, Qunli ZHANG, Hongfa DI,

《能源前沿（英文）》 2010年 第4卷 第2期   页码 185-191 doi: 10.1007/s11708-009-0079-9

摘要： The conventional active solar water-heating floor system contains a big water tank to store energy in the day time for heating at night, which takes much building space and is very heavy. In order to reduce the water tank volume or even cancel the tank, a novel structure of an integrated water pipe floor heating system using shape-stabilized phase change materials (SSPCM) for thermal energy storage was developed and experimentally studied in this paper. The thermal performances of the floors with and without the SSPCM were compared under the intermittent heating condition. The results show that the Energy Storage Ratio (ESR) of the SSPCM floor is much higher than that of the non-SSPCM floor; the SSPCM floor heating system can provide stable heat flux and prevent a large attenuation of the floor surface temperature. Also, the SSPCM floor heating system dampens the indoor temperature swing by about 50% and increases the minimum indoor air temperature by 2°C–3°C under experimental conditions. The SSPCM floor heating system has a potential of making use of the daytime solar energy for heating at night efficiently.

关键词： phase change material     energy storage ratio     active solar water-heating    

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Optimal locations of monitoring stations in water distribution systems under multiple demand patterns

Shuming LIU, Wenjun LIU, Jinduan CHEN, Qi WANG

《环境科学与工程前沿（英文）》 2012年 第6卷 第2期   页码 204-212 doi: 10.1007/s11783-011-0364-9

摘要： A flaw of demand coverage method in solving optimal monitoring stations problem under multiple demand patterns was identified in this paper. In the demand coverage method, the demand coverage of each set of monitoring stations is calculated by accumulating their demand coverage under each demand pattern, and the impact of temporal distribution between different time periods or demand patterns is ignored. This could lead to miscalculation of the optimal locations of the monitoring stations. To overcome this flaw, this paper presents a Demand Coverage Index (DCI) based method. The optimization considers extended period unsteady hydraulics due to the change of nodal demands with time. The method is cast in a genetic algorithm framework for integration with Environmental Protection Agency Net (EPANET) and is demonstrated through example applications. Results show that the set of optimal locations of monitoring stations obtained using the DCI method can represent the water quality of water distribution systems under multiple demand patterns better than the one obtained using previous methods.

关键词： demand coverage     monitoring     optimization     water distribution network     water quality    

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Potential shift of bacterial community structure and corrosion-related bacteria in drinking water distributionpipeline driven by water source switching

Yue Hu, Ding Dong, Kun Wan, Chao Chen, Xin Yu, Huirong Lin

《环境科学与工程前沿（英文）》 2021年 第15卷 第2期 doi: 10.1007/s11783-020-1320-3

摘要： Abstract • Bacterial release from aged pipe sections under extreme conditions was quantified. • Released bacterial community structure exhibited large variation after transition. • Risks from transition reduced significantly with cleaner source. As a result of pollution in the present water sources, cities have been forced to utilize cleaner water sources. There are few reports regarding the potential shift of bacterial community structure driven by water source switching, especially that of corrosion-related bacteria. Three types of finished water were used for simulation, the polluted source water from the Qiantang and Dongtiaoxi Rivers (China) was replaced by cleaner water from Qiandao Lake (China). Here, we discussed the transition effects through three simulated reactors. The bacterial characteristics were identified using the high-throughput sequencing and heterotrophic plate count method. It was observed that the level of culturable bacteria declined by 2–3 orders of magnitude after water source switching. The bacterial community released from the pipeline reactor was significantly different under different finished water, and it exhibited large variation at the genus level. Porphyrobacter (58.2%) and Phreatobacter (14.5%) clearly replaced Novosphingobium, Aquabacterium, and Cupriavidus as new dominant genera in system A, which could be attributed to the lower carbon and nitrogen content of the new water source. Although corrosion-inhibiting bacteria decreased after switching, they still maintained dominant in three reactors (6.6%, 15.9%, and 19.7%). Furthermore, potential opportunistic pathogens such as Sphingomonas were detected. Our study shows that after transition to a high quality water source, the total culturable bacteria released was in a downtrend, which leads to a great reduction in the risk of bacterial leakage in the produced drinking water.

关键词： Drinking water biosafety     Water source switching     Drinking water distribution system     Transition effects     High-throughput sequencing    

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A model of

Jingyu WANG,Hongwei FANG,Guojian HE,Lei HUANG

《环境科学与工程前沿（英文）》 2014年 第8卷 第6期   页码 845-853 doi: 10.1007/s11783-014-0708-3

摘要： The impact on the environment of radionuclide release from nuclear power plants has attracted increased attention, especially after the accident at Fukushima Daiichi Nuclear Power Plant in Japan. Based on the mechanisms of adsorption/desorption at solid/liquid interfaces and a surface micromorphology model of sediments, a theoretical expression of the distribution coefficient is derived. This coefficient has significant effects on the distribution of radionuclide in seawater, suspended sediment and seabed sediment. is then used to simulate Sr transport in the sea near the Daya Bay Nuclear Power Plant. The simulation results are compared with field measurements of tidal level, current velocity, suspended sediment concentration and Sr concentrations in the same period. Overall, the simulated results agree well with the field measured data. Thus, the derived expression for is capable of interpreting realistic adsorption/desorption processes. What’s more, conclusion is drawn that about 40% Sr released by Daya Bay Nuclear Power Plant will be adsorbed by suspended sediment and 20% by seabed sediment, only about 40% Sr will remain in the sea near Daya Bay Nuclear Power Plant in South China Sea.

关键词： distribution coefficient     Daya Bay     hydrodynamic     sediment transport     radionuclide transport    

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标题 作者 时间 类型 操作

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

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

期刊论文

Selection and characterization of eight freshwater green algae strains for synchronous water purificationand lipid production

Jingjing ZHAN,Qiao ZHANG,Momei QIN,Yu HONG

期刊论文

Repeated batch fermentation with water recycling and cell separation for microbial lipid production

Yumei WANG, Wei LIU, Jie BAO

期刊论文

Data-driven distribution network topology identification considering correlated generation power of distributed

期刊论文

Hazard and vulnerability evaluation of water distribution system in cases of contamination intrusion

Kunlun XIN, Tao TAO, Yong WANG, Suiqing LIU

期刊论文

Copper and zinc interaction on water clearance and tissue metal distribution in the freshwater mussel

Tianxiang XIA, Xuehua LIU

期刊论文

Molecular analysis of bacterial community in the tap water with different water ages of a drinking waterdistribution system

Feng Wang, Weiying Li, Yue Li, Junpeng Zhang, Jiping Chen, Wei Zhang, Xuan Wu

期刊论文

Estimation of distribution algorithm enhanced particle swarm optimization for water distribution network

Xuewei QI,Ke LI,Walter D. POTTER

期刊论文

Application of Ice Pigging in a Drinking Water Distribution System: Impacts on Pipes and Bulk Water Quality

Yujing Huang,Zhiwei Chen,Guilin He,Yu Shao,Shuang Song,Feilong Dong,Tuqiao Zhang,

期刊论文

A red water occurrence in drinking water distribution systems caused by changes in water source in Beijing

ZHANG Xiaojian,MI Zilong,WANG Yang,LIU Shuming,NIU Zhangbin,LU Pinpin,WANG Jun,GU Junnong,CHEN Chao

期刊论文

水·水资源·农业节水

刘更另

期刊论文

Thermal performance of phase change material energy storage floor for active solar water-heating system

Ruolang ZENG, Xin WANG, Wei XIAO, Yinping ZHANG, Qunli ZHANG, Hongfa DI,

期刊论文

Optimal locations of monitoring stations in water distribution systems under multiple demand patterns

Shuming LIU, Wenjun LIU, Jinduan CHEN, Qi WANG

期刊论文

Potential shift of bacterial community structure and corrosion-related bacteria in drinking water distributionpipeline driven by water source switching

Yue Hu, Ding Dong, Kun Wan, Chao Chen, Xin Yu, Huirong Lin

期刊论文

A model of

Jingyu WANG,Hongwei FANG,Guojian HE,Lei HUANG

期刊论文