苯并

Standard enthalpy changes of the initial pyrolysis process of ethylbenzene were computed by five methods (UAM1, UHF/3-21G*, UB3LYP/3-21G* and UB3LYP/6-31G*). UB3LYP/6-31G* due to its accuracy compared to the experimental values was chosen to calculate the thermodynamic and kinetic parameters of the process at different temperature ranges (298 ~ 1573 K). The computation results showed that ethylbenzene began to pyrolyze at 973 K and the main product was styrene.

对乙苯的初期热裂解过程，用三种方法结合两种基组(UAM1、UHF/3-21G~*、UB3LYP/3-21G~*和UB3LYP/6-31G~*)计算了标准反应焓变，经与实验值进行对比，筛选出计算结果精确的UB3LYP/6-31G~*方法，并以此获得了乙苯初期热裂解过程在298～1573 K范围内的热、动力学参数。

Especially , the rearrangement reaction of converting styrene oxide to phenylacetyldehyde were investigated. In this paper, we also studied the method of preparing SO42-/TiO2 by vitriolic titanium boiling regurgitant hydrolyzation and applications of SO42-/TiO2 in the preparation of iso-amyl acetate.

对环氧苯乙烷经分子重排反应制备苯乙醛进行了深入研究；本论文还用硫酸钛沸腾回流水解法制备了纳米SO_4~(2-)/TiO_2固体超强酸粉末，并应用于冰乙酸与异戊醇酯化合成乙酸异戊酯的反应。

We explore the relation between structure and activity , structure and toxicity from electronic structure and three—dimensional conformation in order to provide theoretical foundations for predicting the activity and toxicity of these chemical compounds, researching into mechanism of action and choosing safener.

通过比较四种均三氮苯类除草剂的红外光谱特征吸收的实验值和计算值，并运用规范不变原子轨道法GIAO法在RHF/6-31G水平上计算出西玛津的δ~1H-NMR和δ~(13)C-NMR，与实验值的对比统计分析，结果表明：用RHF/6-31G优化的分子构型最佳，AM1法次之，考虑到优化时间和研究的需要，我们在研究均三氮苯类除草剂分子的结构与活性关系时，为了进行深入、精确的理论研究，采用从头算RHF/6-31G进行优化；而对于此类化合物的结构与毒性的关系研究时，更注重分子的量子化学参数的相对值而非绝对值，因而采用AM1的方法。

The stereochemical structures of two new compounds, 5-(3-chlorophenyl)-2-furfur-aldehyde-N-4-methylphenyloxyacetylhydrazone and 5-(3-chlorophenyl)-2-furfuraldehyde-N-4-nitrophenyloxyacetylhydrazone, were determined by DPFGSE-NOE experiments performed in DMSO-d\-6 at 25 ℃ and variable-temperature ~1H NMR The ~1H chemical shifts of the compounds were completely assigned at 25 ℃ and 90

利用变温实验和DPFGSE NOE实验，确定了 5 (3 氯苯基) 2 呋喃甲醛 N 4 甲基苯氧乙酰腙和5 (3 氯苯基) 2 呋喃甲醛 N 4 硝基苯氧乙酰腙两个新化合物25 ℃时在二甲基亚砜中的空间构型，并对这两个新化合物在 25 ℃和 90 ℃时的质子的化学位移进行了全归属。

We compare the capability of terephthalic acid we recovered to that of pure terephthalic acid, and come to the conclusion .

并对回收的对苯二甲酸和纯对苯二甲酸的颗粒分布进行了定性的测定与比较。

The method has the advantages that: the high-concentration substrate inhibition is eliminated and nutritive materials are also supplemented through controlling the pH value in the fermentation environment and supplementing a carbon source and the substrate, so the thalli can grow in the suitable environment, the content of phenyllactic acid reaches 6 to 20g/L after the fermentation, the process is simple, the environmental pollution is less, the operation is convenient, and the output of phenyllactic acid is high.

本发明的优点是：通过控制发酵环境的pH，并补加碳源和底物，既解除了高浓度的底物抑制，又补充了营养物质，使得菌体能够在适宜的环境下生长，发酵结束后，苯乳酸的含量达到6～20g/L，工艺简单、环境污染小、操作方便、苯乳酸的产量高。

Methods: Eleven B-CLL patients were studied. Leukemic lymphocytes with (n=8) or without (n=3) P2z receptors were exposed in vitro to ATP, benzoylbenzoic-ATP, 2-methylthio-ATP(2MeSATP), adenosine-5′-［γ-thio］ triphosphate, and other nucleosides for 8h. Apoptosis was detected by electron microscopy, agarose gel electrophoresis, and quantitative TdT assay. Results:Apoptosis was detected only in leukemic lymphocytes with P2z receptors. By using the quantitative assay, ATP-inducing DNA strand breaks were found to occur specifically for BzATP, ATP and 2MeSATP, but not for ATP-γS and other nucleosides.

将表达P2z受体［P2z］与不含P2z受体［P2z］的两组CLL细胞分别同1.0mmol/L三磷酸腺苷体外培养8小时，以电镜、DNA凝胶电泳和定量DNA 3′端TdT法检测细胞凋亡；并对ATP、苯甲酰苯甲酸ATP、2-甲基硫ATP(2MeSATP)、γ-硫代ATP及其它核苷的诱导效应和氧化型ATP、1-［N，O-二(5-异喹啉碘酰基)N-甲基-L-酪氨酰］-4-苯哌嗪KN-62）的抑制效应做定量研究。

We have synthesized two new conjugated dendrimers bearing triphenylamine moiety as dendrons and 1, 3, 5 triphenylbenzene as a core through a simple Wittig-Horner reaction.

通过Wittig-Horner和Heck反应设计并合成了以含醛基的树枝状三苯胺为树突，以三苯苯为核的dendrimers (TPB-TPA3和TPB-TPA9)。

It is thus clear that besides Octoxinol and Benzalkonii Chloridum have the spermicidal and virucidal functions, the main function of the other elements is only to lubricate, make them become semisolid, clear gel and extend the periods of time in the vaginal walls.

可见，除辛苯聚醇和苯扎氯胺具有杀灭精子和病毒的功效外，其他成份的主要作用仅是润滑、使其成为半固态清晰的凝胶并延长在阴道壁的停留时间。

The effects of the brominated flame retardants, especially PBDPO, on the environment and human's health are attracted more and more attention.

阐述了溴系阻燃剂，特别是多溴二苯醚对环境保护及人类健康的影响和危害，包括BFR从阻燃材料中的逸出、在环境中的滞留、在生物体内的积累、燃烧产物的毒性等有关问题，并介绍了有关十溴二苯醚应用前景的最新信息。

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。