支撑液膜在线萃取流动注射光度法测定水中挥发酚

酚类污染物是一类重要的污染物，对很多水生生物有毒，并且可通过食物链进行生物富集，因此，挥发酚的检测对环境污染控制和环境保护具有重要意义。苯酚是中国环境优先监测物中6种酚类物质之一。酚类物质的测定方法主要有气相色谱法、液相色谱法、光度法等。4-氨基安替比林（4-AAP）分光光度法是目前国际上普遍采用的标准方法，但该方法操作繁琐。如将此法应用于流动注射自动分析，虽然可以省去繁琐的操作，但废水中其它离子的干扰严重，必须进行预蒸馏才能进行测定，且检测限高，不能满足低浓度分析检测的需要。     

硝酸甲酯与不同亲核试剂的SN2反应的理论研究

用从头计算和半经验分子轨道ＡＭ１方法分别对系列亲核试剂和硝酸甲酯的电子结构以及它们之间的气相ＳＮ２反应进行了理论研究，揭示了反应过程中体系的结构，能量和电荷的递变规律，由反应活化能得了这些亲核试剂的亲核性次序为：ＯＨ＾－〉Ｆ＾－〉Ｉ＾－〉ＮＯ＾－３〉ＣＮ＾－〉Ｂｒ＾－〉Ｃｌ＾－〉Ｎ＾－３。     

ε-CL-20基PBX结构和性能的分子动力学模拟——HEDM理论配方设计初探

以高能量密度化合物ε-CL-20(六硝基六氮杂异伍兹烷)为主体,分别添加5种高聚物黏结剂(Estane5703、GAP、HTPB、PEG和F2314)构成高聚物黏结炸药(PBXs).用分子动力学(MD)方法模拟研究各PBX的结合能、相容性、安全性、力学性能和能量性质,通过比较和分析,为优选黏结剂、指导HEDMs配方设计提供信息和规律.由结合能预测各PBX的相容性和稳定性排序为:ε-CL-20/PEG>ε-CL-20/Estane5703≈ε-CL-20/GAP>ε-CL-20/HTPB>ε-CL-20/F2314.以对相关函数g(r)描述了组分之间相互作用的方式.5种黏结剂的少量加入均能显著改善ε-CL-20的弹性力学性能,增强各向同性.各黏结剂并非通过改变ε-CL-20的分子结构影响PBX的感度.它们主要通过自身的热容(C°p)和密度(ρ)影响PBX的安全性和能量性质.     

TATB固体与表面吸附水的相互作用研究

TATB（1，3，5-三氨基-2，4，6-三硝基苯）是最著名的耐热钝感炸药；水在 TATB表面的吸附作用研究具有理论和实用双重意义。在B3LYP/6-31G~（**）水平上 ，在对TATB晶体（001）表面作周期性计算的基础上经基组叠加误差（BSSE）校正 ，求得TATB的表面能为-19.90 kJ·mol~(-1)，与实验值良好相符；首次求得水在 TATB（001）面的吸附能为-10.25kJ·mol~(-1)；重点讨论了吸附前后能带和电子 结构的变化。     

脂肪族聚碳酸酯(PPC)与聚乳酸(PLA)共混型生物降解材料的热学性能、力学性能和生物降解性研究

通过溶液浇铸法制备了脂肪族聚碳酸酯与聚乳酸的共混物(PPC/PLA).采用示差热分析(DSC)和热重分析(TG)研究了材料的热性能.采用拉伸力学试验研究了共混物的力学性能.通过土壤悬浊拟环境培养降解实验法和扫描电子显微镜分析(SEM)对共混材料的生物降解性能进行了研究.实验结果表明,随着PPC含量的增加,共混物的拉伸强度和杨氏模量降低,而生物降解速率却显著提高.但是,在一定的降解时间内,某些比例共混物的降解速率比100%PPC还要快.综合分析表明,PPC/PLA是力学性能和降解性能可以互补的共混体系.     

DNA为模板的铂纳米团簇沉积

Platinum nanoclusters were deposited along the supercoiled DNA strands after incubation of cis-(trans-1R，2R-diaminocyclohexane)(dl-camphorato)platinum(Ⅱ) (Cdp)， an analogue of the anti-tumor drug-carboplatin， with DNA and K₂PtCl₄ for 600 min and then through reduction of dimethylaminoborane (DMAB). The decrease of absorption of DNA at 260 nm indicates the coordination of Cdp and DNA. TEM and AFM were employed to characterize the morphologies and structures of platinum nanoclusters.     

IDENTIFICATION OF NATURALLY OCCURRING TEMPERATURE-SENSITIVE STRAINS OF INFLUENZA A VIRUS AND LOCATION OF THEIR GENETIC LESIONS

Influenza A viruses of different subtypes isolated in different years and from differentparts of China were examined for temperature-sensitiveness (ts ) in their early egg passages.The validity of ts character has been confirmed by ti1e results of parallel tests in chickembryos and in cell cultures. From 12 strains of the old H1N1 subtype isolated between1949 and 1957, no ts strain was detected. Two out of 6 strains of new H1N1 isolated afterFebruary 1979 were found to be ts. For the H3N2 subtype, only 8 out of 23 strainsisolated between 1968 and 1978 were ts, but the proportion increased abruptly to 13 out of15 strains isolated in 1979--1980. We also found 6 out of 16 strains of the R2N2 subtypeto be ts. Two H2N2 and one H3N2 strains examined were found to be composed of mixedts and ts~ particles. By rocombination- complementation test against 7 standard ts strains ofWSN virus with known genetic lesions, the ts lesion of the H3N2 strain Hong Kong/8/68was located on the nucleoprotein gene, whereas that of the H1N1 strain Tianjin/78/77 waslocated on the matrix protein gene.     

4-氯酚在TiO2纳米膜上光催化降解及反应动力学特征

氯酚(ＣＰ)化合物被广泛应用于木材防腐、金属防锈及杀虫剂等,因其毒性大、难降解,对环境造成严重污染[1,2]。目前用于ＣＰ的光催化降解的ＴｉＯ2粉体悬浮体系,催化剂不易回收利用。本文采用Ｓｏｌ Ｇｅｌ法制备的负载型ＴｉＯ2纳米粒子膜作为光催化剂,对4 ＣＰ进行了降解实验研究。同时应用ＸＲＤ法表征了不同实验条件下薄膜中ＴｉＯ2的晶相结构和粒度,考察了不同层数ＴｉＯ2膜的光催化活性,并对4 ＣＰ的降解条件及反应动力学特征进行了探讨。1　实验部分1.1　玻璃负载ＴｉＯ2膜的制备与表征[3-5]按照钛酸四丁酯∶无水乙醇∶水=3∶12∶…     

INFLUENCE OF SPIN AND CHARGE FLUCTUATIONS ON THE HIGH-Tc SUPERCONDUCTIVITY

In the framework of the weak coupling theory of superconductivity, we have proved that spin and charge fluctuations in the high-T_c superconductors can pro-duce respectively, pair-breaking and pair-forming effects on the superconductivity resulting from the "generalized BCS mechanism". With the coupling constant for spin fluctuations larger than that for charge fluctuations, they combine to produce a temperature-dependent effective pair-breaking effect, which makes T_c decrease more rapidly than Δ(0), the superconducting gap at T=0, and therefore, enhances the ratio 2Δ(0)/T_c. This provides a reasonable physical interpretation for the relevant experimental results.     

碱金属和重金属叠氮化物的感度和导电性研究

分别用EHCO和DV－X_α方法，计算研究了α－NaN_3、β-NaN_3和AgN_3的能带结构和原子簇电子结构. AgN_3与NaN_3相比：带隙(△Eg)较小、带宽(BW)较大，因而电导率较大. 比较前沿晶体轨道(CO)和前沿分子轨道(MO)的能级、组成及电子在其间的跃迁；预示AgN_3比NaN_3更敏感、更易分解和起爆．还从电子微观层次揭示了金属叠氮化物的导电性和爆炸性之间的联系．