王连生
主要研究领域包括典型有毒化学品在多介质环境中的过程机制与生态效应机理、有毒化学品理化性质与毒性预测方法、有毒化学品的分子结构-性质/活性相关关系、有毒化学品生态风险与健康风险评价、有机污染控制与修复技术、混合有机污染物的环境行为规律与结构-活性关系预测方法研究等。
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- 姓名:王连生
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学术头衔:
博士生导师,
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学科领域:
环境工程学
- 研究兴趣:主要研究领域包括典型有毒化学品在多介质环境中的过程机制与生态效应机理、有毒化学品理化性质与毒性预测方法、有毒化学品的分子结构-性质/活性相关关系、有毒化学品生态风险与健康风险评价、有机污染控制与修复技术、混合有机污染物的环境行为规律与结构-活性关系预测方法研究等。
王连生教授长期从事有机污染化学教学与科研工作,主要研究领域包括典型有毒化学品在多介质环境中的过程机制与生态效应机理、有毒化学品理化性质与毒性预测方法、有毒化学品的分子结构-性质/活性相关关系、有毒化学品生态风险与健康风险评价、有机污染控制与修复技术、混合有机污染物的环境行为规律与结构-活性关系预测方法研究等。共承担国家自然科学基金项目20多项,其中包括参加一项重大基金项目和一项重点项目,承担和参加国家科技部863项目和973项目多项,承担欧盟国际合作项目2项,并承担多项省部级项目和地方项目。共发表论文近400篇,其中近200篇被SCI源刊物收录,完成专著16部,研制计算机软件两部。教学科研成果获得5次教育部二等奖,1次国家教委一等奖,1次中科院自然科学1等奖。在多年的教学科研活动中为国家培养了大批高水平、高层次的环境科学人才,为提高中国的环境科学基础研究水平做出了巨大的贡献。王连生教授为国内环境科学界的知名教授,曾任国务院学位委员会学科评议组成员、国家自然科学基金委评委,中国环境科学学会高级理事,是《环境化学》等国内多家核心杂志的副主编或编委,Environ. Sci.&Technol等著名国际杂志的特约审稿人,同时是大连理工大学、上海交通大学等国内知名高校的兼职教授,中科院广州地球化学所、中科院沈阳应用生态研究所等重点实验室学术委员会委员,中国环境科学学会理事,江苏省环境科学学会理事长,江苏省环境保护专业委员会主任,在国内外环境科学界具有比较大的影响。
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王连生, Chunsheng Yin a, *, Xinhui Liu a, Weimin Guo b, Teng Lin a, Xiaodong Wang a, Liansheng Wang a
Water Research 36(2002)2975-2982,-0001,():
-1年11月30日
Quantitative structure-property relationships (QSPR) were developed using a genetic algorithm (GA)-based variable-selection approach with quantum chemical descriptors derived from AM1-based calculations (MOPAC7.0). With the QSPR models, the aqueous solubility of 71 aromatic sulfur-containing carboxylates, including phenylthio, and phenylsulfonyl carboxylates were efficiently estimated and predicted. Using GA-based multivariate linear regression (MLR) with cross-validation procedure, the most important descriptors were selected from a pool of 28 quantum chemical semi-empirical descriptors, including steric and electronic types, to build QSPR models. The molecular descriptors included molecular surface
Aqueous solubility, Quantum chemical semi-empirical des, c, r, i, p, t, ors, Sulfur-containing carboxylates, Genetic algorithm, Stepwise regression, Multiple linear regression
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【期刊论文】Polychlorinated organic compounds in Yangtse River sediments
王连生, Shifen Xu a, *, Xin Jiang a, Yuying Dong a, Cheng Sun a, Jianfang Feng a, Liansheng Wang a, D. Martens b, Bernd M. Gawlik c
Chemosphere 41(2000)1897-1903,-0001,():
-1年11月30日
Polychlorinated organic compounds (PCOCs) were analyzed in Yangtse River sediments. The results show that the concentrations of PCOCs in Yangtse River sediments followed the order of DDTs >HCB>HCHs >PCBs. High PCOCs concentrations were detected in sediments from station Y02a and Y02b, which are located in the main input of the Yangtse River (Nanjing section). Results also show that the PCOCs values were highly correlated with organic carbon content and heavy metal contamination.
Yangtse river, PCOCs, Sediment, Contamination, Organochlorine compounds
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【期刊论文】PHOTOSONOCHEMICAL DEGRADATION OF PHENOL IN WATER
王连生, CHUNDE WU*, XINHUI LIU, DONGBIN WEI, JINCHU FAN and LIANSHENG WANG
Wat. Res. Vol. 35, No.16, pp. 3927-3933, 2001,-0001,():
-1年11月30日
The combination of ultrasound (US) and photochemistry has been used to degrade an aqueous solution of phenol. It was considerably more effective than ultrasound or ultraviolet (UV) light alone. Based on the results of total organic carbon (TOC) removal, it was shown that the synergistic action of ultrasound and ultraviolet light existed. Identification of the first intermediates of the reaction (hydroquinone, catechol, benzoquinone and resorcin) indicates that OH radicals are involved in the photosonochemical degradation mechanisms. The effects of parameters such as pH, saturating gases, and Fe2+on the photosonochemical degradation have been studied. The experimental results have shown that lower pH and higher concentration of dissolved oxygen favor the phenol degradation and that the presence of Fe2+enhanced TOC removal of phenol solutions
ultrasound,, ultraviolet,, phenol,, water treatment,, fenton reaction
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【期刊论文】Photocatalytic degradation of AZO dyes by supported TiO2+UV in aqueous solution
王连生, Chunmei Zhu a, *, Liangyan Wang a, Linren Kong b, Xi Yang b, Liansheng Wang b, Shaojian Zheng a, Feili Chen a, Feng MaiZhi a, Huang Zong a
Chemosphere 41(2000)303-309,-0001,():
-1年11月30日
The photocatalytic degradation performance of photocatalysts TiO2 supported on 13-X, Na-Y, 4A zeolites with di erent loading content was evaluated using the photocatalytic oxidation of dyes direct fast scarlet 4BS and acid red 3B in aqueous medium. The results showed that the best reaction dosage of TiO2-zeolite catalysts is about 2g/l and the photocatalytic kinetics follows
TiO2, Zeolite, Photocatalytic degradation, Dye
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王连生, Xiaodong Wang a, Songlin Tang b, Shushen Liu a, Shihai Cui a, Liansheng Wang a, *
Chemosphere 51(2003)617-632,-0001,():
-1年11月30日
Polychlorinated biphenyls (PCBs) congeners with various degrees of chlorination and substitution patterns are among the most widespread and persistent man-made organic pollutants. They are toxic, lipophilic and tend to be bioaccumulated. The knowledge of the physico-chemical properties is very useful to explain the environmental behavior of PCBs and to perform an exposure assessment. In this paper, we have used a new molecular representation, the molecular hologram, to generate quantitative structure-property relationship models to predict the physico-chemical properties of biphenyl and all of its chlorinated congeners. The investigated properties include 1-octanol/water partition coefficient (log Kow), aqueous solubility (log Sw), aqueous activity coefficient (log Yw), Total molecular surface area, Henry s law constant (logH). The results show that this new quantitative structure-activity relationship approach presents highly predictive models for important physico-chemical properties of PCBs.
Polychlorinated biphenyls, Holographic quantitative structure-activity relationship, Quantitative structure-property relationship, Physico-chemical properties, Molecular hologram
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王连生, Gehui Wang, Sulian Niu, Caie Liu, Liansheng Wang*
Atmospheric Environment 36(2002)1941-1950,-0001,():
-1年11月30日
In this study aerosol samples of PM10 and PM2.5 collected from 18 February 2001 to 1 May 2001 in Nanjing, China were analyzed for their water-soluble organic compounds. A series of homologous dicarboxylic acids (C2-10) and two kinds of aldehydes (methylglyoxal and 2-oxo-malonaldehyde) were detected by GC and GC/MS. Among the identified compounds, the concentration of oxalic acid was the highest at all the five sites, which ranged from 178 to 1423 ng/m3. The second highest concentration of dicarboxylic acids were malonic and succinic acids, which ranged from 26.9 to 243 ng/m3. Higher level of azelaic acid was also observed, of which the maximum was 301 ng/m3. As the highest fraction of dicarboxylic acids, oxalic acid comprised from 28% to 86% of total dicarboxylic acids in PM10 and from 41% to 65% of total dicarboxylic acids in PM2.5. The dicarboxylic acids (C2, C3, C4) together accounted for 38-95% of total dicarboxylic acids in PM10 and 59-87% of dicarboxylic acids in PM2.5. In this study, the total dicarboxylic acids accounted for 2.8-7.9% of total organic carbon (TOC) of water-soluble matters for PM10 and 3.4-11.8% of TOC for PM2.5. All dicarboxylic acids detected in this study together accounted for about+N35 1% of particle mass. The concentration of azelaic acid was higher at one site than others, which may be resulted from higher level of volatile fat used for cooking. The amounts of dicarboxyic acids (C2,3,4,9) and 2-oxo-malonaldehyde of PM2.5 were higher in winter and lower in spring. Compared with other major metropolitans in the world, the level of oxalic acid concentration of Nanjing is much higher, which may be contributed to higher level of particle loadings, especially for fine particles.
Dicarboxylic acid, Aldehyde, Atmospheric aerosol, Spatial and temporal variations
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【期刊论文】HYDROLYSIS KINETICS OF PHENYLSULFONYL-CYCLOALKANE CARBOXYLATES
王连生, Han Shuokui*, Zhang Huichun, Zhang Aiqian, Wang Liansheng
Chemosphere, Vol. 31, No.6, pp. 3425-3431, 1995,-0001,():
-1年11月30日
Batch data for hydrolysis of phenylsulfonyl-eycloalkane carboxylates have been measured at a specific pH at various temperatures. A set of regression equations between hydrolysis rate constants and temperatures was established. Effects of various chemical groups of the tested compounds on hydrolytic reactions were compared.
phenylsulfonyl-cycloalkane carboxylates,, hydrolysis kinetics
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王连生, Zhifen Lin, *, †, ‡, § Kedong Yin, † Ping Shi, † Liansheng Wang, ‡ and Hongxia Yu‡
Chem. Res. Toxicol. 2003, 16, 1365-1371,-0001,():
-1年11月30日
Quantitative structure-activity relationship (QSAR) approaches are proposed in this study to predict the joint effects of mixture toxicity. The initial investigation studies the joint effects between cyanogenic toxicants and aldehydes to Photobacterium phosphoreum. Joint effects are found to result from the formation of a carbanion intermediate produced through the chemical interactions between cyanogenic toxicants and aldehydes. Further research indicates that the formation of carbanion intermediate is highly correlated with not only the charge of the carbon atom in the-CHO of aldehydes but also the charge of the carbon atom (C*) in the carbochain of cyanogenic toxicants. The charge of the carbon atom in the-CHO of aldehydes is quantified by using the Hammett constant (
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王连生, Shu-Shen Liu, * Chun-Sheng Yin, and Lian-Sheng Wang
J. Chem. Inf. Comput. Sci. 2002, 42, 749-756,-0001,():
-1年11月30日
The MEDV-13, molecular electronegativity distance vector based on 13 atomic types, has at best 91 descriptors. It is impossible to indirectly use multiple linear regression (MLR) to derive a quantitative structure-activity relationship (QSAR) model. Although principal component regression (PCR) or partial least-squares regression (PLSR) can be employed to develop a latent QSAR model, it is still difficult how to determine the principal components (PCs) and depict the physical meaning of the PCs. So, a genetic algorithm (GA) is first employed to select an optimal subset of the descriptors from original MEDV-13 descriptor set. Then MLR is utilized to build a QSAR model between the optimal subset and the biological activities of three sets of compounds. For 31 benchmark steroids, a 5-descriptor QSAR model (M1) between the corticosteroid-binding globulin (CBG) binding affinity of the steroids and 5-descriptor subset is developed. The root-mean-square error of estimations (RMSEE) and the correlation coefficient of estimations (r) between the CBG binding affinity (BA) observed and the BA estimated by M1 are 0.422 and 0.9182, respectively. The root-mean-square error of predictions (RMSEP) and the correlation coefficient of predictions (q) between the BA observed and the BA predicted by leave-one-out cross validations are 0.504 and 0.8818, respectively. For 58 dipeptides inhibiting angiotensin-converting enzyme (ACE), a 5-variable QSAR model (M2) between the pIC50 of peptides and 5-descriptor subset is derived. The M2 has a high quality with RMSEE) 0.339 and r) 0.9398 and RMSEP) 0.370 and q) 0.9280. For 16 indomethacin amides and esters (ImAE) inhibiting cyclooxygenase-2 (COX-2), a 6-variable QSAR model (M3) with RMSEE) 0.079 and r) 0.9839 and RMSEP) 0.151 and q) 0.9413 is built.
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王连生, Xiaodong Wang, Yuying Dong, Liansheng Wang *, Shuokui Han
Chemosphere 44(2001)447-55,-0001,():
-1年11月30日
Acute 12h and 24h lethal toxicity (12h-LC50 and 24h-LC50) of 31 substituted phenols to Rana japonica tadpoles was determined. Results indicate that toxicity of phenols to tadpoles varied only slightly with length of exposure and the 12-h test could serve as surrogate of the 24-h test. A mechanism-based quantitative structure-activity relationship (QSAR) method was employed and 1-octanol/water partition coefficient (log Kow)-dependent models were developed to study different modes of toxic action. Most phenols elicited their response via a polar narcotic mechanism and an excellent log Kow-dependent model was obtained. Soft electrophilicity and pro-electrophilicity were observed for some phenols and a good log Kow-dependent model was also achieved. Additionally, the significant dissociation of carboxyl on benzoic acid derivatives sharply reduced their toxicity. A statistically robust QSAR model was developed for all studied compounds with the combined application of log Kow, energy of lowest unoccupied orbital (Elumo), heat of formation (HOF) and the first-order path molecular connectivity dices (1Xp).
Phenols, Acute toxicity, Rana japonica tadpoles, QSAR, Mechanism of action
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