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Chinese Journal of Structural Chemistry 2011年第9期30卷 1225-1232页

作者：李建凤廖立敏王碧 College of Chemistry and Chemical Engineering Neijiang Normal University key laboratory of fruit waste treatment and resource recycling

The molecular electronegativity interaction vector （MEIV） was used to describe the molecular structure of 30 selected esters. Two excellent QSTR models were built up by using multiple linear regression （MLR） and partial least-squares regression （PLS）. The correlation coefficients （R） of the two models were 0.945 and 0.941, respectively. The models were evaluated by performing the cross validation with the leave-one-out （LOO） procedure. The cross-verification correlation coefficients （RCV） of the two models were 0.921 and 0.919, respectively. The results showed that the models constructed in this work could provide estimation stability and favorable predictive ability.

关键词： esters tetrahymena pyriformis half-inhibitory growth concentration (IGC50) structural characterization quantitative structure toxicity relationship (QSTR)

Structural Characterization and Retention Time Simulation of Allergenic Fragrances

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Chinese Journal of Structural Chemistry 2020年第10期39卷 1753-1762,1741页

作者： LI Jian-Feng LIAO Li-Min College of Chemistry and Chemical Engineering Neijiang Normal UniversityNeijiang 641100China key laboratory of fruit waste treatment and resource recycling Neijiang 641100China

By classifying non-hydrogen atoms of organic compounds,parametric dyeing,and establishing the relationship between non-hydrogen atoms,new structure descriptors were *** structures of 48 common allergenic fragrance organic compounds were parametrically *** multiple linear regression(MLR)and partial least-squares regression(PLS)methods were used to build two models of relationship between the compound structure and chromatographic retention *** stability of the models was evaluated by the"leave-one-out"cross test,and the predictive ability of the models was tested using an external sample *** correlation coefficients(R2)of the two models are 0.9791 and 0.9744,those(R(CV)~2)of the cross test are 0.8542 and 0.7464,and those(R(test)~2)of the external prediction are 0.9802 and 0.9367,indicating that the models built have good fitting ability,stability and external forecasting *** structural factors affecting the chromatographic retention time of the compounds were *** results show that the compound with more secondary carbon atoms may have larger chromatographic retention time(tR)*** paper has certain reference value for the study on the relationship between the structures and properties of allergenic fragrance organic compounds.

关键词： allergenic fragrance structure descriptor structure characterization simulation prediction

Structural Characterization and Aquatic Toxicity Prediction of Esters

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Chinese Journal of Structural Chemistry 2021年第6期40卷 711-721,683页

Based on the three-dimensional structures of the compounds,the structures of 48 ester compounds were expressed *** multiple linear regression and partial least-squares regression,the relationship models between ester compound structures and aquatic toxicity log(1/IGC50)were *** correlation coefficients(R2)of the models were 0.9974 and 0.9940,and the standard deviations(SD)were 0.0469 and 0.0646,*** stability of the models was evaluated by the leave-one-out internal *** correlation coefficients(RCV2)of the models of interactive tests were 0.9939 and 0.8952,and the standard deviation(SDCV)was 0.0715 and 0.0925,*** external samples were used to test the predictive ability of the models,and the correlation coefficients(Rtest2)of the external predictions were 0.9955 and 0.9955,and the standard deviations(SDtest)were 0.0720 and 0.0716,*** molecular structure descriptors could successfully represent the structural characteristics of the compounds,and the built models had good fitting effects,strong stability and high prediction *** present study has a good reference value for the study of the structure-toxicity relationship of toxic compounds in the environment.

关键词： ester compounds structural characterization aquatic toxicity simulation prediction

Humification characterization of biochar and its potential as a composting amendment

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Journal of Environmental Sciences 2014年第2期26卷 390-397页

作者： Jining Zhang Fan L Chenghao Luo Liming Shao Pinjing He Institute of waste treatment & Reclamation State Key Laboratory of Pollution Control & Resource Reuse Tongji University

Biochar has received increasing attention due to its applications as a soil amendment. Here, the chemical properties of solid and water-extractable fractions of four biochar samples were investigated. The results showed that wood biochar and bamboo biochar samples were 60%-80% more hydrophobic than those of rice husk biochar and rice husk ash. In addition, the acidity was 3.88 mmol/g from the total functional groups and 1.03 mmol/g from the carboxyl groups/lactones/phenols found in the wood biochar sample, which were about 1.5 times greater than those of the bamboo biochar sample. These functional groups could be used to determine the sorptive capacity of biochar for ionic solutes and water content and to increase the degradation of compost organics. The wood biochar sample was found to have the most humification materials （fulvic acid-like material ＋ humic acid-like material） in the water-extractable fraction, which was 3-10 times higher than that in the rice husk biochar and rice husk ash; humified materials were not detected in the bamboo biochar sample. Humification materials in biochar may be involved in increasing the proportion of humic acid-like materials in humic-like substances within the compost product. Wood biochar had better hydrophobic, sorptive, aromatic, and humification properties compared to other biochars, suggesting that it may be used in composting in order to exert its effect as both a bulking agent and a composting amendment during the solid waste composting process.

关键词： biochar composting dissolved organic matter humification organic waste water-extraction

Transformation of phthalic acid diesters in an anaerobic/anoxic/oxic leachate treatment process

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Chinese Journal of Chemical Engineering 2020年第1期28卷 249-253页

作者： Qun Wang Lanhui Jiang Chengran Fang Hongzhi Mao Haifeng Zhuang key laboratory of recycling and Eco-treatment of waste Biomass of Zhejiang Province Zhejiang University of Science and TechnologyHangzhou 310023China

Transformations of di-n-butyl phthalate(DBP) and di(2-ethylhexyl) phthalate(DEHP) have been investigated in anaerobic/anoxic/oxic(A/A/O) leachate treatment processes. Although the DBP removal processes are different when the DBP initial concentration is different, the overall system DBP removal efficiencies are high(N 94%).DEHP is much more difficult to remove than DBP. The removal efficiency of DEHP is approximately 75%–78%.The results of mass balance calculations indicate that approximately 33.7%–50.7% of the DBP is degraded by the activated sludge, 48.9%–64.9% accumulates in the system, and 0.4%–1.4% is contained in the final effluent. Approximately 15.0%–19.0% of the DEHP is degraded by activated microcosms, 75.8%–79.0% accumulates in the system, and 5.2%–6.0% is contained in the final effluent. Biodegradation and adsorption to the activated sludge are the main mechanisms for DBP removal and adsorption to the activated sludge is the main mechanism for DEHP removal. The different removal mechanisms of the two PAEs may be related to their different molecular structures. However, PAEs are not really removed when they adsorb onto the sludge. Therefore, methods for decreasing PAEs adsorption and increasing the biodegradation efficiencies of the leachate treatment processes should be further investigated.

关键词： Phthalic acid diesters Leachate Anaerobic–anoxic–oxic system Biodegradation Adsorption

Overlooked risk of microplastics from municipal solid waste-storage site

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Frontiers of Environmental Science & Engineering 2024年第10期18卷 103-114页

作者： Ying Hu Shuli Guo Dongsheng Shen Jiali Shentu Li Lu Shengqi Qi Min Zhu Yuyang Long Zhejiang Provincial key laboratory of Solid waste treatment and recycling Zhejiang Engineering Research Center of Non-ferrous Metal Waste RecyclingSchool of Environmental Science and EngineeringZhejiang Gongshang UniversityHangzhou 310012China

Municipal solid waste(MSW)storage sites are potential and overlooked contributors to microplastic(MP)***,the distribution and dispersion characteristics of MPs at MSW storage sites were investigated through modeling,sampling analysis,and prediction *** results indicated a notable adsorption phenomenon of MPs on smooth surfaces within such sites,achieving high saturation levels and making MPs prone to re-release by airflow *** analysis revealed that the MP concentrations on these surfaces varied from 4.48×10^(5) to 1.90×10^(6) n/m^(2) and that MPs predominantly accumulated in the corner ***,MP accumulation on wall surfaces can be reduced by 76.4%using washing *** majority of MPs were under 50μm in size and were primarily in fragment *** activities such as ventilation and waste handling were identified to amplify the airborne spread of *** atmospheric concentrations of MPs peaked seasonally,with concentrations of 28.25 n/m^(3) in summer and 3.90 n/m^(3) in winter,and the spatial dispersion ranged from 14.98 to 124.08 km^(2) per *** study highlights that MSW storage sites are substantial yet overlooked sources of MP pollution,where wall surfaces play a critical role in MP adsorption and *** implementation of robust management and cleaning protocols is essential to mitigate the environmental footprint of MPs emanating from these *** study also provides a typical case for the precise prevention and control of MPs in the environment.

关键词： Municipal solid waste storage sites Microplastic Adsorption Dispersion Emerging pollution

Response of anaerobes to methyl fluoride,2-bromoethanesulfonate and hydrogen during acetate degradation

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Journal of Environmental Sciences 2013年第5期25卷 857-864页

作者： Liping Hao Fan L Lei Li Liming Shao Pinjing He State key laboratory of Pollution Control and resource Reuse Tongji University Institute of waste treatment and Reclamation Tongji University

To use the selective inhibition method for quantitative analysis of acetate metabolism in methanogenic systems,the responses of microbial communities and metabolic activities,which were involved in anaerobic degradation of acetate,to the addition of methyl fluoride（CH3F）,2-bromoethanesulfonate（BES）and hydrogen were investigated in a thermophilic batch *** the methanogenic inhibitors,i.e.,CH3F and BES,showed their effectiveness on inhibiting CH4 production,whereas acetate metabolism other than acetoclastic methanogenesis was stimulated by BES,as reflected by the fluctuated acetate *** acetate oxidation was thermodynamically blocked by hydrogen（H2）,while H2-utilizing reactions as hydrogenotrophic methanogenesis and homoacetogenesis were correspondingly *** of PCR-DGGE fingerprinting showed that,CH3F did not influence the microbial populations ***,the BES and hydrogen notably altered the bacterial community structures and increased the *** gradually changed the methanogenic community structure by affecting the existence of different populations to different levels,whilst H2 greatly changed the abundance of different methanogenic populations,and induced growth of new species.

关键词： methanogenic inhibitor hydrogen thermophilic anaerobic digestion microbial diversity denaturing gradient gel electrophoresis(DGGE)

Quantifying the electron-donating and-accepting capacities of wastewater for evaluating and optimizing biological wastewater treatment processes

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Journal of Environmental Sciences 2021年第4期33卷 235-243页

作者： Xian-Bin Ying Chen-Yi Tang Wei Guo Dong-Shen Sheng Mei-Zhen Wang Hua-Jun Feng Zhejiang Provincial key laboratory of Solid waste treatment and recycling School of Environmental Science and EngineeringZhejiang Gongshang UniversityHangzhou 310012China

Biological processes have been widely used for the treatment of both domestic and industrial *** such biological processes,pollutants are converted into pollution-free substances by microorganisms through oxidation-reduction ***,how to quantify the internal oxidation-reduction properties wastewaters and seek out targeted countermeasures is essential to understand,operate,and optimize biological wastewater treatment *** far,no such approach is available *** this work,a novel concept of electron neutralization-based evaluation is proposed to describe the internal oxidation-reduction properties of *** in wastewater are defined as electron donor substances(EDSs)or electron acceptor substances(EASs),which could give or accept electrons,*** such an electron neutralization concept,several parameters,i.e.,electron residual concentration(R),economy-related index(E and E r),and economical evaluation index(Y and Y r),are ***,these parameters are used to evaluate the performance and economic aspects of currently applied wastewater treatment processes and even optimize *** case studies demonstrate that the proposed concept could be effectively used to reduce wastewater treatment costs,assess energy recovery,and evaluate process ***,a new,simple,and reliable methodology is established to describe the oxidation-reduction properties of wastewater and assess the biological wastewater treatment processes.

关键词： Electron donor substances Electron acceptor substances Electron neutralization Electron residual concentration Economy-related index Economical evaluation index

Copper fractal growth during recycling from waste printed circuit boards by slurry electrolysis

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Frontiers of Environmental Science & Engineering 2021年第6期15卷 271-280页

作者： Jiqin Wang Xiaoxia Yi Xiangfei Zeng Shuyuan Chen Rui Wang Jiancheng Shu Mengjun Chen Zhengxue Xiao key laboratory of Solid waste treatment and resource Recycle Ministry of EducationSouthwest University of Science and TechnologyMianyang 621010China

Superfine copper particles could be directly prepared from waste printed circuit boards by slurry ***,copper fractal growth could be *** better understand this phenomenon,the factors that affect copper dendrites in a point-cathode system were discussed in *** results showed that the fractal degree of copper dendrites increased as the increase of applied voltage and the decrease of copper sulfate and gelatin *** lauryl sulfate and hydrochloric acid concentrations could not significantly impact the fractal degree of copper dendrites,while gelatin concentration *** minimum copper fractal dimension was 1.069 when gelatin and copper sulfate concentration was 120 mg/L and 0.1 mol/L,respectively with an applied voltage of 11 ***,the results diffusion-limited aggregation model demonstrated that particle translational speed,particle numbers and binding probability significantly affected copper dendrite *** scanning electron microscopy results indicated that the three additives greatly affected the refinement of the copper *** findings contribute to enrich the theoretical study on metals recovery from e-waste by slurry electrolysis.

关键词： Dendritic copper Fractal growth WPCBs Slurry electrolysis

The role of lipids in fermentative propionate production from the co-fermentation of lipid and food waste

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Frontiers of Environmental Science & Engineering 2023年第7期17卷 107-118页

作者： Niyou Xu Ting Chen Jun Yin School of Environmental Science and Engineering Zhejiang Gongshang UniversityHangzhou 310012China Zhejiang Provincial key laboratory of Solid waste treatment and recycling Hangzhou 310012China

Food waste(FW)is a promising renewable low-cost biomass substrate for enhancing the economic feasibility of fermentative propionate *** lipids,a common component of food waste,can be used as a carbon source to enhance the production of volatile fatty acids(VFAs)during co-fermentation,few studies have evaluated the potential for directional propionate production from the co-fermentation of lipids and *** this study,co-fermentation experiments were conducted using different combinations of lipids and FW for VFA *** contributions of lipids and FW to propionate production,hydrolysis of substrates,and microbial composition *** were *** results revealed that lipids shifted the fermentation type of FW from butyric to propionic acid *** on the estimated propionate production kinetic parameters,the maximum propionate productivity increased significantly with an increase in lipid content,reaching 6.23 g propionate/(L·d)at a lipid content of 50%.Propionate-producing bacteria Prevotella,Veillonella,and norank f Propionibacteriaceae were enriched in the presence of lipids,and the succinate pathway was identified as a prominent fermentation route for propionate ***,the Kyoto Encyclopedia of Genes and Genomes functional annotation revealed that the expression of functional genes associated with amino acid metabolism was enhanced by the presence of ***,these findings will contribute to gaining a better understanding of targeted propionate production from FW.

关键词： Acidogenic fermentation Microbial community Volatile fatty acid Propionate Foodwaste Lipid