不同量子化学算法在多环芳烃光解行为定量结构-性质关系(QSPR)中的应用

以采用MINDO/3、MNDO和AMI算法计算的17种多环芳烃（PAHs）的前线分子轨道能为分子结构参数,进行了这些PAHs光解速率常数的定量结构－性质相关（QSPR）的研究,并与基于PM3算法得到的QSPR模型进行了比较,研究结果表明,应用PM3算法得到的前线分子轨道能进行这些PAHs光解速率常数QSPR拟合的结果最好,其次是AMI算法,而MINDO/3和MNDO算法得到的结果较差。     

废水中氨氮的去除与利用

化学沉淀剂可去除废水中的氨氮，并得到有用复合肥ＭｇＮＨ４ＰＯ４。探讨了诸反应对氨氮去除率的影响。     

高浓度甲基橙溶液的低压湿式催化氧化处理

以高浓度甲基橙溶液模拟偶氮染料废水,采用低压湿式催化氧化法(LPWCO)进行处理,考察了H2O2投量、温度、FeSO4投量、硫酸浓度、甲基橙浓度等因素对甲基橙脱色率的影响。结果表明,LPWCO法能有效地使高浓度(大于400mg/L)甲基橙溶液脱色,脱色率大于95%,而H2O2投量不到Fenton法的5%。     

浙江三界、谷来地区1/5万区域地质调查工作的主要进展

三界谷来地区主要出露中、新生代火山岩。进行 １／５万区域地质调查时，采用火山活动旋回－火山构造－火山地层－岩相、岩性－体化思路，按照同旋回火山机构或火山喷发区为单元，确定岩石地层单位和填图单元。火山岩划分为九种岩相类型，建立了两个岩相模式和一个三相一体成因模式。根据火山岩浆作用的旋回性及其产物与火山构造形迹时、空、成因一致性原理，将中、新生代火山岩浆作用分为四个火山活动旋回，圈定了相应的火山机构或火山喷发中心，建立了竹田头复活破火山演化模式。新生代玄武岩中发现二辉斜长麻粒岩等深源包体，为研究区域深部地质作用过程提供了证据。侵入岩按岩石谱系单元划分了七个岩石单元一个超单元，将侵入岩－潜火山岩－火山岩作为岩浆作用整体研究，为正确阐明岩浆作用及其演化规律奠定了基础。区域线型构造发育，与环形火山构造组合，形成火山岩区特有的线一环构造格局。中上元古界陈蔡群变质岩划分为上、下两个岩组，探讨了变质岩的原岩性质及其形成的大地构造环境。     

Haloacetic acids in swimming pool and spa water in the United States and China

The objective of this study is to investigate the occurrence of haloacetic acids （HAAs）, a group of disinfection byproducts, in swimming pool and spa water. The samples were collected from six indoor pools, six outdoor pools and three spas in Pennsylvania, the United States, and from five outdoor pools and nine indoor pools in Beijing, China. Five HAAs （HAA5）, including monochloroacetic acid, dichloroacetic acid, trichloroacetic acid, monobromoacetic acid, and dibromoacetic acid were analyzed. Total chlorine, pH and total organic carbon concentration were analyzed as well. Results indicated that the levels of HAA5 in swimming pools and spas in the United States ranged from 70 to 3980μg·L^-1, with an arithmetic average at 1440μg·L^-1 and a median level at 1150μg·L^-1. These levels are much higher than the levels reported in chlorinated drinking water and are likely due to organic matters released from swimmers＇ bodies. The levels of HAA5 in swimming pools in China ranged from 13 to 332μg·L^-1, with an arithmetic average at 117μg·L^-1 and a median level at 114μg·L^-1. The lower HAA levels in swimming pools in China were due to the lower chlorine residuals. Results from this study can help water professionals to better understand the formation and stability of HAAs in chlorinated water and assess risks associated with exposures to HAAs in swimming pools and spas.     

云南曲靖地区铜的暴露与肺癌相关性研究

我国云南省曲靖的宣威和富源等地是全世界肺癌高发区,为了研究环境介质中铜(Cu)等重金属的暴露与体内分布特征,探讨Cu与肺癌的相关性,在当地开展肺癌环境流行病学调查,采集宣威和富源高发区人群饮食、饮水以及人体血浆和肺组织样品,微波消解ICP-MS法测定样品中Cu等元素.结果显示,当地居民使用燃料类型是影响肺癌高发的重要因素.高发区人群Cu的日摄入总量低于我国推荐的每日膳食中营养素供给量(RDA).肺癌组血液中Cu含量显著高于对照组,肺癌组织中Cu含量显著高于癌旁组织和正常组织,且肺癌患者的血浆和肺组织中Cu/Zn比值均升高.Pearson相关性分析结果表明,Cu和Ni、Cu和Pb呈显著正相关,提示在致癌作用上具有协同效应;Cu和Fe、Cu和Zn呈显著负相关,提示具有抑制或拮抗作用.多因素Logistic回归结果表明,Cu是肺癌发生的重要影响因素,人体中Cu含量和Cu/Zn比值可为肺癌的早期预防和诊断提供科学依据.     

Role of membrane and compound properties in affecting the rejection of pharmaceuticals by different RO/NF membranes

This study was conducted to assess the merits and limitations of various high-pressure membranes, tight nanofiltration (NF) membranes in particular, for the removal of trace organic compounds (TrOCs). The performance of a low-pressure reverse osmosis (LPRO) membrane (ESPA1), a tight NF membrane (NF90) and two loose NF membranes (HL and NF270) was compared for the rejection of 23 different pharmaceuticals (PhACs). Efforts were also devoted to understand the effect of adsorption on the rejection performance of each membrane. Difference in hydrogen bond formation potential (HFP) was taken into consideration. Results showed that NF90 performed similarly to ESPA1 with mean rejection higher than 95%. NF270 outperformed HL in terms of both water permeability and PhAC rejection higher than 90%. Electrostatic effects were more significant in PhAC rejection by loose NF membranes than tight NF and LPRO membranes. The adverse effect of adsorption on rejection by HL and ESPA1 was more substantial than NF270 and NF90, which could not be simply explained by the difference in membrane surface hydrophobicity, selective layer thickness or pore size. The HL membrane had a lower rejection of PhACs of higher hydrophobicity (log D>0) and higher HFP (>0.02). Nevertheless, the effects of PhAC hydrophobicity and HFP on rejection by ESPA1 could not be discerned. Poor rejection of certain PhACs could generally be explained by aspects of steric hindrance, electrostatic interactions and adsorption. High-pressure membranes like NF90 and NF270 have a high promise in TrOC removal from contaminated water.

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三氯卡班对小鼠血浆内源性物质影响的代谢组学研究

三氯卡班被认定为一种新型的环境污染物,可能对动植物和人体产生危害,为探究三氯卡班的有害作用机制,选择C57BL6小鼠作为载体,利用分子生物学和报告基因方法考察了三氯卡班对肝脏的作用,同时利用代谢组学技术考察三氯卡班对血浆内源性代谢物变化的影响。结果表明,三氯卡班是核受体CAR的激活剂,可以提高肝脏CYP2b10的m RNA表达。同时血浆主要的内源性代谢物也产生了显著性变化,血浆中的脂肪酸比例都呈下降趋势,肉毒碱与乙酰肉碱的比例都呈上升趋势,花生四烯酸与肌酸的比例都呈上升趋势,这都与核受体CAR被激活密切相关,由此说明利用代谢组学技术能够全面地反映三氯卡班所造成的对机体的影响。     

珠江三角洲4种淡水养殖鱼类重金属的残留及食用风险评价

为全面了解珠江三角洲淡水水产品中重金属污染现状,评估其生态风险与食用安全,于2014年8月至2015年8月采集罗非鱼、草鱼、乌鳢及鳜鱼主要养殖鱼类样品共计57份,采用原子荧光光谱仪(AFS),电感耦合等离子体质谱(ICP-MS)仪进行分析测定,并采用单因子污染指数(Pi)、重金属污染指数(MPI)、每周可耐受摄入量(PTWI)以及食入健康风险指标(Ri总)分别评估其污染程度、食用安全性与健康风险。结果表明,样品中Cr、Ni、Cu、Zn、As、Cd、Hg、Pb的含量范围分别为0.020~3.240,0.020~0.800,0.110~1.100,0.190~19.970,0.030~1.480,nd~0.606,0.003~0.118,0.040~0.803 mg·kg-1(湿重),Cr、As、Cd、Pb在水产品中超标率大小依次为As(7.0%),Pb(7.0%),Cd(5.3%),Cr(1.8%)。Pi结果表明,目前珠江三角洲养殖水域水产品中Cu与Zn残留处于正常范围内,Cr和Hg有少量样品为轻度污染,Pb、Cd与As存在重度污染样品,所占比例为2.86%、6.02%和5.74%。MPI结果显示不同水产品污染程度为乌鳢>鳜鱼>罗非鱼>草鱼,总体上各种水产品MPI依然处于较低的水平;食用安全性结果显示,目前成人每周摄入水产品是安全的,但乌鳢Cr,罗非鱼As含量较高分别达到PTWI的37.76%和19.51%,表明水产品中Cr、As残留可能存在一定的食用安全隐患。健康风险模型结果显示,所有样品均未超过国际辐射防护委员会(ICRP)的推荐的最大可接受水平(5×10-6a-1)。综合分析珠江三角洲淡水养殖主要水产品可知,其尚未出现明显的污染安全问题,但As与Cr等元素的潜在风险值得进一步关注。     

发光细菌生物毒性抑制率优化研究

发光细菌生物毒对水生生态环境有极大的破坏作用,为保护水体环境,提出发光细菌生物毒性抑制率优化研究。完成测试样品调制;设置菌悬液特征参数,利用pH、RLU及D600进行同步检测,完成发光细菌生物毒性重现;分析磺胺类药品于根际土壤的形态分布和生态毒性,完成发光细菌生物毒性抑制率优化研究。实验证明,三种磺胺类药品对发光细菌生物毒性的相对抑制率都小于30%,为低毒性;其中有机溶剂对发光细菌生物毒性的抑制率最大,水溶态较大,结合态最小。