[1] 陈永山, 骆永明, 章海波, 等. 设施菜地土壤酞酸酯污染的初步研究[J]. 土壤学报, 2011, 48(3):516-523. CHEN Y S,LUO Y M,ZHANG H B, et al. Preliminary study on PAEs pollution of greenhouse soils[J]. Acta Pedologica Sinica, 2011, 48(3):516-523(in Chinese).
[2] 胡雄星, 韩中豪, 周亚康, 等. 黄浦江表层水体中邻苯二甲酸酯的分布特征及风险评价[J]. 环境化学, 2007, 26(2):258-259. HU X X, HAN Z H, ZHOU Y K, et al. Distribution characteristics and risk assessment of phthalic acid esters in the surface water of Huangpu River[J]. Environmental Chemistry, 2007, 26(2):258-259(in Chinese).
[3] 朱振宇, 姬亚芹, 张诗建, 等. 1月天津市大气PM2.5中邻苯二甲酸酯污染特征及暴露分析[J]. 环境化学, 2015, 34(7):1371-1373. ZHU Z Y, JI Y Q, ZHANG S J, et al. Pollution characteristics and exposure analysis of phthalates in atmospheric PM2.5 in Tianjin city in January[J]. Environmental Chemistry, 2015, 34(7):1371-1373(in Chinese).
[4] 黄永辉. SPE-GC-MS法同时测定奶粉中18种邻苯二甲酸酯迁移量[J]. 食品研究与开发, 2010, 31(11):167-171. HUANG Y H. Simulataneous determination of 18 phthalate acid esters migration in milk powder by solid phase extraction coupled with gas chromatography-mass spectrometry[J]. Food Research and Development Food Res Dev, 2010, 31(11):167-171(in Chinese).
[5] SWAN S H, MAIN K M, LIU F, et al. Decrease in anogenital distance among male infants with prenatal phthalate exposure[J]. Environmental Health Perspectives, 2005, 113(8):1056-1061.
[6] SWAN S H. Environmental phthalate exposure in relation to reproductive outcomes and other health endpoints in humans[J]. Environmental Research, 2008, 108(2):177-184.
[7] SINGH S, LI S S. Bisphenol A and phthalates exhibit similar toxicogenomics and health effects[J]. Gene, 2012, 494(1):85-91.
[8] 周文敏. 环境优先污染物[M]. 北京:中国环境科学出版社, 1989. ZHOU W M. Environmental priority pollutants[M]. Beijing:China Environmental Science Press, 1989(in Chinese).
[9] 金相灿. 有机化合物污染化学:有毒有机物污染化学[M]. 北京:清华大学出版社, 1990. JIN X C. Organic compounds pollution chemistry:toxic organic pollutants chemistry[M]. Beijing:Tsinghua University Press, 1990(in Chinese).
[10] 朱媛媛, 田靖, 王伟, 等. 土壤中15种酞酸酯类化合物测定[J]. 中国环境监测, 2009, 25(2):79-83. ZHU Y Y, TIAN J, WANG W, et al. Determination of 15 kinds of phthalate in soil[J]. Environmental Monitoring in China, 2009, 25(2):79-83(in Chinese).
[11] 颜冬云, 蒋新, 赵振华, 等. 运用QSPR预测有机磷农药的色谱保留值[J]. 环境化学, 2006, 25(2):220-224. YAN D Y, JIANG X, ZHAO Z H, et al. Prediction of gas chromatographic retention times of organophosphorus pesticides by using qspr[J]. Environmental Chemistry, 2006, 25(2):220-224(in Chinese).
[12] 杨娜, 杨林. 多氯联苯分子空间坐标与气相色谱相对保留时间的QSPR研究[J]. 计算机与应用化学, 2012, 29(2):219-222. YANG N, YANG L. QSAR study for molecular coordinates and gas chromatographic relative retention time of polychlorinated biphenyls[J]. Computers and Applied Chemistry, 2012, 29(2):219-222(in Chinese).
[13]
[14] 许惠英, 张建英, 王艳花, 等. 多溴联苯醚定量结构-性质关系的分子表面静电势应用研究[J]. 环境科学, 2008, 29(2):398-408. XU H Y, ZHANG J Y, WANG Y H, et al. QSPR studies on the physicochemical properties of polybrominated diphenyl ethersusing theoretical descriptors derived from electrostatic potentials on molecularsurface[J]. Environmental Science, 2008, 29(2):398-408(in Chinese).
[15] 高硕. 拓扑-量子键邻接矩阵的构建及其在有机物定量构效关系研究中的应用[D]. 长沙:中南大学, 2008. GAO S. QSPR The method of establishing topological-quantum bond adjacency matrix and its application in the QSPR/QSAR study for organic compounds[D]. Changsha:Central South University, 2008(in Chinese).
[16] FRISCH M J, TRUCKS G W, SCHLEGEL H B, et al. In:Gaussian 03, Revision B.03, Gaussian Inc., Pittsburgh PA, 2003.
[17] WOLD S, SJOSTROMA M, ERIKSSON L. PLS-regression:a basic tool of chemometrics[J]. Chemometrics and Intelligent Laboratory Systems, 2001, 58(2):109-130.
[18] WOLD S, SJOSTROMA M, ERIKSSON L. Cross-validatory estimation of the number of components in factor and principal components models[J]. Technometr, 1978, 20(4):397-405.
[19] GOLBRAIKH A,TROPSHA A.Beware of q2![J]. Journal of Molecular Graphics and Modelling, 2002, 20(4):269-276.
[20] HEMMATEENEJAD B. Optimal QSAR analysis of the carcinogenic activity of drugs by correlation ranking and genetic algorithm-based PCR[J]. Journal of Chemometrics, 2004, 18(11):475-485.
[21] GRAMATICA P. Principles of QSAR models validation:internal and external[J]. QSAR & Combinatorial Science, 2007, 26(5):694-701.
[22] GOLBRAIKH A, TROPSHA A. Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection[J]. Journal of Computer-Aided Molecular Design, 2000, 16(5):357-369.
[23] DOS REIS R R, SAMPAIO S C, DE MELO E B. An alternative approach for the use of water solubility of nonionic pesticides in the modeling of the soil sorption coefficients[J]. Water Res, 2014, 53(53):191-199.
[24] WOLD S. Exponentially weighted moving principal components analysis and projections to latent structures[J]. Chemometrics and Intelligent Laboratory Systems, 1994, 23(1):149-161.
[25] VOET H V D. Comparing the predictive accuracy of models using a simple randomization test[J]. Chemometrics and Intelligent Laboratory Systems, 1994, 25(2):313-323.
[26] CAMMARATA A. An apparent correlation between the in vitro activity of chloramphenicol analogs and electronic polarizability[J]. Journal of Medicinal Chemistry, 1967, 10(4):525-527.