C60的惰性气体原子化合物分子力学研究

利用分子间相互作用势模型对惰性气体原子在Ｃ６０分子内所形成的化合物进行了研究，讨论了惰性气体原子Ｘ的平衡位置及体系的稳定性，Ｈｅ，Ｎｅ和Ａｒ原子的平衡位置在Ｃ６０笼的中心，而Ｋｒ和Ｘｅ原子则在Ｃ６０笼外比在其内部时体系更稳定，通过考察其附加原子半径大小，可以对附加原子与Ｃ６０笼能否形成稳定的化合物提供预见性。     

气相色谱/质谱法测定饮用水中挥发性有机物

建立了吹扫捕集与气相色谱一质谱联用测定饮用水中13种挥发性有机物的分析方法．该方法的加标回收率在90％～110％之间，相对标准偏差基本小于5．0％，该方法灵敏度高、准确度好，已成功地用于饮用水中挥发性有机污染物的测定，结果令人满意．     

一类强双光子吸收分子材料的理论研究

在哈特利-福克理论基础上，从第一性原理出发，对最近合成的双光子有机分子材料的非线性光学特性进行了理论研究。计算结果表明，该类有机分子具有较大的双光子吸收截面。     

水滑石类化合物的研究现状及进展

水滑石类化合物(hydrotalcite-like compounds，简称HTLcs)是一类具有广阔应用前景的层柱状化合物，因其特殊的结构而具有特殊的性能，具有广泛的应用前景及研究范围．针对目前的研究，系统的介绍了水滑石类化合物主要的制备方法，包括盐—氧化物合成法盐—碱制备法、诱导水解法、热处理的重新水合法等，并对水滑石类化合物在催化领域的应用和发展作了展望．     

香菇菌汤煮制工艺优化及其非挥发性特征风味物质研究

通过单因素实验和正交试验以感官评定及固形物溶出率为评价指标对香菇菌汤煮制工艺进行优化,并采用高效液相色谱技术对煮制后香菇及汤液中非挥发性特征风味物质进行测定。结果表明,当煮制温度为120℃、煮制时间为45min、香菇质量浓度为0.050g/mL时,香菇菌汤感官评价及固形物溶出率较好。在煮制过程中,香菇中风味物质逐渐向汤液中转移,使得汤液中可溶性糖醇、有机酸、呈味核苷酸等非挥发性风味物质含量显著高于煮制后香菇中含量。除此之外,在煮制后汤液中,特征性风味氨基酸含量也显著高于煮制后香菇中含量。但是,与新鲜香菇相比风味氨基酸在煮制后汤液及香菇中绝大多数含量有所降低。     

Ru基化合物催化制氢的研究进展

氢的存储是车载燃料电池发展的关键环节。甲醇在室温下呈液态并且储氢量达12.6wt%,然而分解甲醇制氢需要较高的温度(超过200℃)和压强(25~50bar)。最近研究者报道了利用单核钌(Ru)基化合物作催化剂,在常温常压条件下可以将甲醇分解成CO_2和H_2;利用双核Ru基化合物作催化剂,可以将多聚甲醛或甲醛与水的混合溶液有选择性地脱氢生成H_2和CO_2,但是关于Ru基化合物微观层次的催化机制还需要进一步研究。本文综述了不同配体构型和不同种类配体对催化剂活性的影响及其脱氢路径,以及催化剂的催化活性和溶液的pH值之间的关系,阐明如何改进现有单核Ru基钳型化合物和双核Ru基化合物催化剂的性能,设计催化活性更优良的新型催化剂。     

基于Petri网的VOCs跨区域流动动态风险评估方法

为了评价污染天气下由于VOCs(volatile organic compounds)跨区域流动产生的区域间的相互影响作用的大小，找出对受污染区域影响较大的路径，结合Petri网模型提出了VOCs跨区域流动动态风险评估方法。利用HYSPLIT模型确定多个潜在污染源与受污染区域的VOCs迁移路径，运用Petri网去描述各个迁移路径之间的关系；将动态风险大小的计算融入到函数Petri网的运行中，定量评估潜在污染源到受污染区域的各条路径的风险程度；案例分析得出污染天气下周边区域对于西安的动态风险评估结果以及各污染路径的潜在风险指数。研究表明，在重污染天气下各个污染源城市对西安的影响程度大小由高到低依次为宝鸡>汉中>西宁>兰州。该方法为评估VOCs跨区域流动过程中潜在污染源的风险程度提供了依据。     

Effects of metals and organic compounds on survival and bioaccumulation in two species of marine gammaridean amphipod,together with a summary of toxicological research on this group

The toxicity and bioaccumulation of arsenic, cadmium, copper, lead, mercury, zinc, DDT, PCB and the water-soluble fraction of diesel fuel to the gammaridean amphipods Corophium insidiosum and Elasmopus bampo were measured. At 96 h exposure C. insidiosum was more sensitive to arsenic, zinc, DDT, PCB and the water-soluble fraction of diesel fuel than E. bampo, whereas E. bampo was more sensitive to cadmium, chromium and copper than C. insidiosum. Over a 20-day period C. insidiosum accumulated greater amounts of chromium, copper, lead and zinc than E. bampo, whereas E. bampo accumulated more cadmium, DDT and PCB than C. insidiosum. The toxicity and bioaccumulation of toxicants to other species of marine gammaridean amphipods are tabulated.     

热处理条件对IrO2-pH电极性能的影响

在700℃炉冷、870℃空冷和炉冷三种热处理条件下,制备了氧化铱pH微电极,并对比了微电极的线性范围及响应时间.结果表明:热处理条件对Ir氧化物膜的均匀性有很大影响,进而影响其开路电位的稳定性及响应速度.700℃炉冷和870℃空冷制得的电极氧化膜表面粗糙,孔隙率不均匀并伴随有裂纹;而870℃炉冷条件下制得的电极具有表面氧化膜均匀、响应时间短以及线性好等优点.铱氧化物的形成机理是Ir丝被空气中的O2氧化,而高温Li2CO3起到一种溶剂的作用.铱氧化物电极的H+响应是由于电极表面水合氧化铱与溶液中H+发生化学反应,反应为Ir4+与Ir3+之间的转变.     

Serum levels of perfluorinated compounds in the general population in Shenzhen, China

Perfluorinated compounds (PFCs) have been detected in many environmental matrices, biota, and nonoccupationally exposed populations in China recently. However, little is known about the distribution and levels of various PFCs in the general population living in areas where there is PFC exposure. In the present study, the levels and prevalence of ten target PFCs were determined in 227 serum samples from a population of nonoccupationally exposed individuals in Shenzhen, China. Results indicated that human exposure to PFCs was prevalent in Shenzhen. Perfluorooctanoate (PFOA) was the dominant PFC contaminant in the serum samples, with a median concentration of 6.72 ng/mL, followed by perfluorooctane sulfonate (PFOS) with a median concentration of 2.07 ng/mL. Other PFCs were detected at much lower concentrations, with median concentrations ranging from 0.02 to 0.87 ng/mL. Statistically, no significant (P>0.05) gender differences were observed for any of the PFCs. Significant (P<0.01) positive correlations were found between age and serum concentrations of the target PFCs, except for perfluorobutane sulfonate (R = 0.16, P = 0.01), perfluorohexanoic acid (R = 0.08, P = 0.22), and perfluoroheptanoic acid (R = 0.11, P = 0.10). Based on the one-compartment pharmacokinetic model, the total daily intakes of PFOA and PFOS for the general population in Shenzhen were calculated as 0.63 and 0.20 ng/kg body weight/day, respectively.