（第一部分 有机污染物的环境行为与生态效应） 1
（第一章 有机污染物的环境行为） 1
1 Solubilization of polycyclic aromatic hydrocarbons by β-cyclodextrin and carboxymethyl-β-cyclodextrin 1
2 Solubilization of substituted indole compounds by β-cyclodextrin in water 5
3 Sorption of the herbicide mefenacet in soils 10
4 Adsorption of naphthalene derivatives on hypercrosslinked polymeric adsorbents 13
（第二章 有机污染物的生态效应） 18
1 Impact of fipronil on crustacean aquatic organisms in a paddy field-fishpond ecosystem 18
2 The effects of three sulfonylurea herbicides and their degradation products on the green algae Chlorella pyrenoidosa 21
3 Toxicity of chloroanilines and effects on superoxide dismutase activities in serum of crucian carp(Carassius auratus) 25
4 The acute toxicity of α-branched phenylsulfonyl acetates in Photobacterium phosphoreum test 28
5 β-cyclodextrin(β-CD)influence on the biotoxicities of substituted benzene compounds and pesticide intermediates 32
（第二部分 有机污染物的定量结构-性质／活性关系） 37
（第三章 QSAR/QSPR方法及其应用） 37
1 QSAR studies on the COX-2 inhibition by 3,4-diarylcycloxazolones based on MEDV descriptor 37
2 VSMP:A novel variable selection and modeling method based on the prediction 44
3 Structure-activity relationships and response-surface analysis of nitroaromatics toxicity to the yeast(Saccharomyces cerevisiae) 52
4 A case study of logistic QSAR modeling methods and robustness tests 58
（第四章 典型有机污染物的定量结构-毒性关系） 66
1 Mechanism-based quantitative structure-activity relationships for the inhibition of substituted phenols on germination rate of Cucumis sativus 66
2 Mechanism-based quantitative structure-phytotoxicity relationships comparative inhibition of substituted phenols on root elongation of Cucumis sativus 74
3 Quantitative structure-activity relationships for the toxicity to the tadpole Rana japonica of selected phenols 83
4 Comparative inhibition and quantitative structure-activity relationships(QSARs)of substituted phenols to germination rate of Cucumis sativus 87
5 Structure-phytotoxicity relationship:comparative inhibition of selected nitrogen-containing aromatics to root elongation of Cucumis sativus 92
6 Prediction and QSAR analysis of toxicity to Photobacterium phosphoreum for a group of heterocyclic nitrogen compounds 97
7 Quantitative structure-toxicity relationships for derivates of benzanilides to Daphnia magna 100
8 Acute toxicity and quantitative structure-activity relationships of α-branched phenylsulfonyl acetates to Daphnia magna 106
9 Quantitative structure-toxicity relationships for benzaldehydes to Daphnia magna 111
10 Acute toxicity of benzene derivatives to the tadpoles(Rana japonica)and QSAR analyses 115
11 Determination and prediction of partition coefficient and toxicity for sulfonylurea herbicides and their degradation products 122
12 Prediction of water solubility and toxicity of substituted indoles to Photobacterium phosphoreum using molecular connectivity indices and quantum chemical parameters 126
（第五章 有机污染物理化性质的测定与估算方法） 132
1 QSAR for polychlorinated organic compounds(PCOCs).I.Prediction of partition properties for PCOCs Using quantum chemical parameters 132
2 An efficient and simple approach to predict Kovat's indexes of polychlorinated naphthalenes in gas chromatography 138
3 Estimation of the sorption of substituted aromatic compounds onto modified clay 142
4 QSPR analysis of phenylthio phenylsulfinyl and phenylsulfonyl esters using quantum chemical semi-empirical descriptors 145
5 Prediction and application in QSPR of aqueous solubility of sulfur-containing aromatic esters using GA-based MLR with quantum descriptors 153
6 Determination and estimation of aqueous solubilities and n-octanol/water partition coefficients for phenylacrylates 161
7 Estimation of the sorption of substituted aromatic compounds on the sediment of the Yangtse River 165
8 Correlation of reversed-phase retention factors for α-branched phenylsulfonyl acetates with octanol/water partition coefficients and quantum chemical descriptors 169
9 Prediction of octanol/water partitioning coefficient and sediment sorption coefficient for benzaldehydes by various molecular descriptors 174
10 Determination and estimation of water solubilities and octanol/water partition coefficients for derivates of benzanilides 180
11 Prediction of partitioning properties for benzaldehydes by various molecular descriptors 185
12 MEDV-13 for QSRR of 62 Polychlorinated Naphthalenes 188
（第六章 分子全息与3D-QSAR方法的理论与应用） 191
1 Molecular hologram derived quantitative structure-property relationships to predict physico-chemical properties of polychlorinated biphenyls 191
2 Three-dimensional quantitative structure-activity relationship study for phenylsulfonyl carboxylates using CoMFA and CoMSIA 208
3 Studies of 3D-quantitative structure-activity relationships on a set of nitroaromatic compounds:CoMFA,advanced CoMFA and CoMSIA 216
（第七章 混合有机物的定量结构-联合毒性关系） 224
1 Development of the fragment constant method for estimating the partition coefficients of nonionic organic mixtures 224
2 Use of partition coefficients to predict mixture toxicity 232
3 Prediction of mixture toxicity with its total hydrophobicity 236
4 Quantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicity 241
5 QSAR for prediction of joint toxicity of substituted phenols to tadpoles(Rana japonica) 250
6 Development of QSARs for Predicting the Joint Effects between Cyanogenic Toxicants and Aldehydes 254
（第三部分 有机污染物的分析技术与控制原理） 265
（第八章 环境中有机污染物的分析技术） 265
1 Determination of Semivolatile Compounds in Drinking Water by Tandem Mass Spectrometric Detection 265
2 Trace analysis of dissolved polychlorinated organic compounds in the water of the Yangtse River(Nanjing,China) 269
3 Measurements of PM10 and PM2.5 in urban area of Nanjing,China and the assessment of pulmonary deposition of particle mass 275
4 Persistent pollutants in sediments of the Yangtse River 281
5 Polychlorinated organic compounds(PCOCs)in the Yangtse River water samples using SPE and GC/ECD 285
6 Polychlorinated organic compounds in Yangtse River sediments 290
7 Polychlorinated organic compounds(PCOCs)in waters,suspended solids and sediments of the Yangtse River 295
（第九章 有机污染物的控制原理） 300
1 Influence of nonionic surfactants and hydroxypropyl-β-cyclodextrin on the biodegradation of nitrobenzene 300
2 Photodegradation of diesel oil in aqueous solutions 308
3 Photosonochemical degradation of trichloroacetic acid in aqueous solution 313
4 Photosonochemical degradation of phenol in water 317
5 Photocatalytic degradation of AZO dyes by supported TiO2+UV in aqueous solution 324
6 Aerobic microbial degradation of aromatic sulfurcontaining compounds and effect of chemical structures 331
7 Solubilization of polycyclic aromatic hydrocarbons by β-cyclodextrin and carboxymethyl-β-cyclodextrin 336
8 Reducing degradation of azo dye by zero-valent iron in aqueous solution 340
9 Effect of ozonation of naphthalene derivatives on their elimination,TOC,and biodegradability 344