卤代有机化合物生物富集因子的定量结构-活性关系模型

依据经济合作与发展组织(OECD)关于定量结构-活性关系(QSAR)模型构建和使用导则,通过多元线性回归(MLR)方法建立了一个包含9个描述符的卤代有机化合物鱼类生物富集因子(BCF)的QSAR模型。QSAR模型的调整决定系数R²_adj = 0.877,去一法交叉验证系数Q²_LOO= 0.873,外部验证系数Q²_EXT= 0.757,表明模型具有较好的拟合优度、稳健性和预测能力。采用欧几里德距离方法表征了模型应用域,并对模型进行了机理解释。所构建的模型,可以用于预测应用域内卤代化合物的BCF。     

全氟辛烷磺酸短期暴露对不同作物苗期生长的影响

全氟辛烷磺酸(PFOS)作为一种新型持久性有机污染物,目前国内外对其生态毒性研究主要集中在水环境领域,而高等植物的生态毒性数据尚不完善。因此,本研究采用内培养方式,选取小麦、大麦、小白菜、三叶草、绿豆作为供试植物,利用根伸长、芽伸长、地上部分生物量等评价指标,研究了PFOS短期暴露对不同供试作物苗期生长的影响,建立了PFOS和作物苗期生长的剂量-效应关系,并对不同的评价指标进行相关性分析,筛选出表征PFOS生态毒性的敏感植物。结果表明,不同供试作物培育3 d后,PFOS对其于不同毒性终点的最小EC₅₀值为：小麦352 mg·kg^-1(根伸长)、大麦434 mg·kg^-1(根伸长)、三叶草794 mg·kg^-1(地上部分生物量鲜重)、小白菜829 mg·kg^-1(地上部分生物量鲜重)、绿豆>1 000 mg·kg^-1,因此敏感程度依次为：小麦>大麦>三叶草>小白菜>绿豆。须根系作物小麦、大麦较直根系作物三叶草、小白菜和绿豆敏感,而须根系作物各评价指标的敏感程度依次为：根伸长>地上部分生物量鲜重>芽伸长>地上部分生物量干重,可见小麦的根伸长对PFOS污染最为敏感。各评价指标间均呈正相关关系,表明PFOS对同种植物的不同评价指标影响趋势一致。     

对特辛基苯酚干扰雌激素受体作用的分子基础及其对ERβ亚型选择性结合的理论研究

对特辛基苯酚(4-tert-octylphenol,PTOP)是一种环境内分泌干扰物。已有研究发现虽然其能够直接与雌激素受体(estrogen receptor,ER)的两种亚型(ERα,ERβ)结合并产生干扰效应,但其结合能力却各不相同,PTOP对ERβ表现出更强的结合活性。为了探究PTOP与ER结合的分子机制及其对ER两种亚型的选择性机制,本文采用分子动力学模拟对PTOP-ER复合物进行了研究,并利用MM-GBSA方法计算了结合自由能。结果表明,范德华作用是维持PTOP与ER结合的主要驱动力;而极性相互作用的差异是导致PTOP对ERα和ERβ产生选择性结合的重要因素,PTOP与ERα之间的极性溶剂化作用阻碍了两者的结合。将PTOP与ER的天然底物雌二醇进行比较,发现PTOP与ER口袋之间缺乏氢键稳定二者结合,因此PTOP的结合活性较低。计算模拟亦指出了PTOP结合过程中发挥重要作用的关键氨基酸。以上计算结果将有助于我们进一步理解PTOP影响ER介导生理过程的干扰机制。     

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

The objective of this study is to select and characterize the candidate for synchronous water purification and lipid production from eight freshwater microalgae strains (Chlorella sp. HQ, C. emersonii, C. pyrenoidosa, C. vulgaris, Scenedesmus dimorphus, S. quadricauda, S. obiquus, Scenedesmus sp. LX1). The strains Chlorella sp. HQ, C. pyrenoidesa, and S. obliquus showed superiority in biomass accumulation, while the top biomass producers did not correspond to the top lipid producers. S. quadricauda achieved higher lipid content (66.1%), and Chlorella sp. HQ and S. dimorphus 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 Chlorella 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^–1; TP: 0.3 mg·L^–1) condition was in favor of forming lipid bodies in Chlorella sp. HQ at the subcellular level, while the biomass production was inhibited due to the decrease in chloroplast number which could further suppress the nutrient removal effect. Finally, a twophase 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 Chlorella sp. HQ to serve for algae-based synchronous biodiesel production and wastewater purification.     

Q型类聚法在海域监测站位优化中的应用——以辽东湾为例

站位布设是海域环境监测工作的一个重要技术部分,是获取有代表性监测数据,为环境管理服务的重要环节。为了最高效地布设采样点,结合辽东湾的实例,利用Q型类聚法优化了研究区域的监测点位,由原来的29个水质采样点优化到22个代表站位,优化后的站位所表征的环境质量,与近岸海域环境质量等效,并比原常规监测站位更具有代表性。在提高采样效率的同时节约了监测成本。因此,研究近岸海域环境监测站位优化具有十分重要的现实意义。     

噻吩在双金属有机多孔材料Ni-Cu/BTC上吸附性能的研究

噻吩类硫化物的脱除是燃油能否实现生产超低硫清洁燃油的关键.本文研究了双金属有机多孔材料Ni-Cu/BTC吸附燃油中噻吩的性能.结果表明,Ni-Cu/BTC对模型油中苯并噻吩的吸附动力学过程满足拟二级动力学模型.Langmuir、Freundlich和Dubinin-Radushkevich (D-R)3种等温吸附模型均可较好地描述Ni-Cu/BTC对苯并噻吩的等温吸附行为(Freundlich>D-R>Langmuir).热力学参数表明Ni-Cu/BTC对噻吩的吸附是自发的吸热过程.     

三苯基锡和三丁基锡对大型蚤(Daphnia magna)的毒性作用研究

本研究测定了三苯基锡（ＴＰＴ）和三丁基锡（ＴＢＴ）对大型蚤（Ｄａｐｈｎｉａ ｍａｇｎａ）的急性毒性及慢性毒性,同时研究了环境因素（腐殖酸、硬度、酸度）对ＴＰＴ和ＴＢＴ的２４ｈ－ＥＣ５０的影响。结果表明,ＴＰＴ和ＴＢＴ对大型蚤的２４ｈ－ＥＣ５０分别为１３．３３ｕｇＳｎ．１＾－１和３．９１ｕｇＳｎ．１＾－１,慢性实验结果表明,ＴＰＴ对大型蚤的生长繁殖有一定的抑制作用。     

在役导管架平台的评估策略研究现状

海洋平台造价昂贵,所处的海洋环境复杂且恶劣,受到波浪、流、风、冰、地震以及疲劳、腐蚀、冲刷等时变因素的联合作用,检测和维修困难,事故后果严重,所以,为延长在役导管架平台的寿命而进行的评估研究存在许多难题需要解决。针对近海导管架平台评估标准、检测策略、构件校核、系统分析、维修加固决策和方法等,介绍了国内外的研究现状,并展望了将来需要进一步开展的工作。     

一氧化氮标准气体中二氧化氮杂质FTIR定量方法研究及标气质量分析

一氧化氮标准气体在我国空气质量监测工作中广泛用于氮氧化物分析仪的校准,标准气体的质量对环境空气中氮氧化物的测量结果也有着显著的影响。利用傅里叶变换红外光谱仪建立了一套精确测量低浓度二氧化氮方法,并对一氧化氮标准气体产品中二氧化氮杂质进行了测量。结果显示有少部分样品中存在较高浓度的二氧化氮杂质。进一步讨论了可能导致一氧化氮标准气体中二氧化氮杂质偏高的原因,及此种情况对化学发光法氮氧化物分析仪准确测量空气中氮氧化物可能产生的影响。为了准确校准化学发光法氮氧化物分析仪,应关注一氧化氮标准气体产品中的二氧化氮杂质的含量。     

Impact of freeway weaving segment design on light-duty vehicle exhaust emissions

In the United States, 26% of greenhouse gas emissions is emitted from the transportation sector; these emisssions meanwhile are accompanied by enormous toxic emissions to humans, such as carbon monoxide (CO), nitrogen oxides (NO_x), and hydrocarbon (HC), approximately 2.5% and 2.44% of a total exhaust emissions for a petrol and a diesel engine, respectively. These exhaust emissions are typically subject to vehicles’ intermittent operations, such as hard acceleration and hard braking. In practice, drivers are inclined to operate intermittently while driving through a weaving segment, due to complex vehicle maneuvering for weaving. As a result, the exhaust emissions within a weaving segment ought to vary from those on a basic segment. However, existing emission models usually rely on vehicle operation information, and compute a generalized emission result, regardless of road configuration. This research proposes to explore the impacts of weaving segment configuration on vehicle emissions, identify important predictors for emission estimations, and develop a nonlinear normalized emission factor (NEF) model for weaving segments. An on-board emission test was conducted on 12 subjects on State Highway 288 in Houston, Texas. Vehicles’ activity information, road conditions, and real-time exhaust emissions were collected by on-board diagnosis (OBD), a smartphone-based roughness app, and a portable emission measurement system (PEMS), respectively. Five feature selection algorithms were used to identify the important predictors for the response of NEF and the modeling algorithm. The predictive power of four algorithm-based emission models was tested by 10-fold cross-validation. Results showed that emissions are also susceptible to the type and length of a weaving segment. Bagged decision tree algorithm was chosen to develop a 50-grown-tree NEF model, which provided a validation error of 0.0051. The estimated NEFs are highly correlated with the observed NEFs in the training data set as well as in the validation data set, with the R values of 0.91 and 0.90, respectively.

Implications: Existing emission models usually rely on vehicle operation information to compute a generalized emission result, regardless of road configuration. In practice, while driving through a weaving segment, drivers are inclined to perform erratic maneuvers, such as hard braking and hard acceleration due to the complex weaving maneuver required. As a result, the exhaust emissions within a weaving segment vary from those on a basic segment. This research proposes to involve road configuration, in terms of the type and length of a weaving segment, in constructing an emission nonlinear model, which significantly improves emission estimations at a microscopic level.