等分子数的

The discrete velocity ordinate method in the kinetic theory of gases is developed and applied to discretize the correspo

借助非定常时间分裂法和无波动无自由参数的NND耗散格式，建立直接求解微观分子速度分布函数的有限差分数值格式；研究并发展可用于离散速度坐标点选取和离散速度空间宏观取矩的高斯─埃尔米特无穷积分方法、等均间隔的牛顿─柯斯复合积分法、以勒让德多项式的根为积分结点的高斯─勒让德数值积分法，并应用于不同马赫数绕流模拟；通过对不同流域一维激波管问题、二维圆柱绕流问题和三维球体绕流的计算研究，并将计算结果与其他途径得到的研究结果诸如DSMC模拟值、N-S解及有关实验数据进行比较分析，创建了一套能有效模拟稀薄流到连续流不同流域气体流动问题简化的统一数值算法研究框架

The performance and mechanism of corrosion inhibitions of POCA were studied bymethods such as weight-loss, electrochemistry, EDS, XPS and quantum chemistry. It isfound that POCA is cathodic corrosion inhibitor, having synergistic effect with HEDP andZn~(2+). The P and O atoms of phosphono have important electron density contribution toHOMO orbital and the electron gross orbital population is bigger than 1, so it is easy toform absorbing location between phosphono and metal resulting in good corrosioninhibition on mild steel.

通过利用失重法、电化学方法、扫描电镜、X光电子能谱、X-射线能谱和量子化学方法研究膦酰基羧酸的缓蚀性能及其机理，发现POCA是一种阴极型缓蚀剂，与HEDP、Zn~(2+)具有优良的协同增效作用；POCA分子中的膦酰基基团的P原子和O原子对HOMO轨道电荷密度贡献较大，且其轨道电子布居数均大于1，因此比较容易通过膦基与金属形成吸附位而对碳钢具有良好的缓蚀作用；对铜合金具有一定的腐蚀作用，但腐蚀作用比HEDP等有机膦药剂要小得多，同时与BTA具有优良的相容性，添加1mg／L的BTA则可以有效地防止铜合金的腐蚀。

NMR and ESI-MS techniques were used to study the interactions between diperoxovanadates and small organic molecules such as pyridine, imidazole, arginine, picoline ester, and picoline amide. Spectroscopic methods were established to explore this type of interactions.

在合成数种双过氧钒化合物的基础上，利用多种NMR技术结合ESI-MS等谱学方法系统研究了双过氧钒化合物和咪唑、吡啶、取代吡啶、精氨酸、皮考啉酯以及皮考啉酰胺等有机配体的相互作用，建立了一套适合研究过氧钒化合物与有机小分子相互作用的谱学方法。

In Chapter 2, construction, structures and properties of sixteen one-, two-, and three-dimensional coordination polymers self-assembled by 4,4'-bipyridine (4,4'-bpy) and pyrazine with metal salts have been described.

第二章描述了16种含4，4'-联吡啶和吡嗪桥连配体的聚合金属配合物超分子的构筑、结构及性质。通过改变酸度、溶剂体系及各种反离子等条件，分别得到不同层次和维数的、具有各种孔穴或通道结构的聚合配合物。

The four sets of stator bars including those retired from three large generators and the standby bar subjected to Dynamic Mechanical Analysis, Scanning Electron Microscopic and optical microscope observation. It was revealed from DMA that the peak value tan d m of mechanical loss thermogram tan d ~ T shift toward a higher temperature and a lower amplitude, indicating that the amount of movement monomers diminished greatly in the insulation aging process, the tan d 195, increased very slightly with the service time of insulation, showing the degrading of bonding properties at interface, and the presence of more defects in insulation. The observation of SEM and optical microscope showed that more and more voids appears in insulation, and delamination was formed due to development of voids in aging process.

对不同运行年数的线棒进行了 DMA 、 SEM 、光学显微镜等微观分析试验，动态力学分析发现(参见 Hao et al， CEIDP， 2002：404)，力学损耗温度谱 tan d ~ T 的峰值 tan d m 随老化时间向高温、低值方向移动，表明促成环氧发生玻璃化转变的活性侧基或发生局部运动的活性链段减少，分子链的刚性增强；195℃的力学损耗 tan d 195随老化时间有缓慢增大的趋势，表明有更多的能量耗散在界面处，界面的粘合性变差，甚至由于界面粘结不良出现微观缺陷； SEM 和光学显微分析发现(参见 Hao et al-2， IEEE DEI， 2003)，老化后的绝缘气隙增多，随着老化时间气隙不断扩展或相互连通，绝缘逐渐分层。

By means of molecular designing, a series of sodium branched-alkyl benzene sulfonates weresynthesized through seven process, involving Frieded-Crafts reaction, Grignard reaction, sulfonationand neutralization. Those isomers have similar structure, carbons of same quantity, but the position ofalkylaryl dissimilarity. Liner fat acid, metaxylene and halogenated hydrocarbon of different carbonnumber were used as the starting materials. Optimum processing condition was confirmed consideringinfluence of a series of reaction factors such as feed proportioning, quantity of catalysts, quantitysolvent, reaction time, temperature and pressure. Eight kinds of isomers of sodium hexadecylxylolsulfonates were finally synthesized, and characterized by FT-IR.

本文通过分子设计，以不同碳数直链脂肪酸、间二甲苯以及不同碳数的卤代烷为原料，经酰基化、格氏反应、加氢还原、磺化及中和等反应，合成了结构相似、烷烃链碳数一定、芳基在烷烃链不同位置的烷基芳基磺酸盐同分异构体；并考察了原料配比、催化剂用量、反应时间、反应温度、溶剂用量、反应压力等一系列因素对各反应的影响，进而确定最佳工艺条件，最终合成出十六烷基二甲苯磺酸钠的八种同分异构体，利用 FT-IR 对产物结构进行了分析。

The number of molecular markers for background selection in the development of NILs and QTL cloning were also discussed.

另外，本文还就分子标记辅助近等基因系选育中背景选择标记数的确定、基于QTL-NILs的基因克隆等进行了讨论。

ABSTRACT It is because that the excellent acceptors for maize transgenic engineering are insufficient in our country, especially in the southwest mountain areas of china and hereditary variation regularity for the two characters such as efficiency of embryonic callus induction and number of regenerating plant (these two characters were abbreviated to the nduction efficiency and number of regenerating in the following of the paper, respectively), which hint the maize culturing capacity, is not very clear. Therefore, aiming at picking out superior acceptors, we had made systematic researches on the two characters with combing traditional quantitative-character genetic analyzing methods such as single-factor genetic mating design, diallel crossing genetic design, genetic effect analyzing method and the modern molecular locating method such as QTLs'. The main results are followed.(1) 50 superior inbred lines and about 30 crosses in our country, especially in the southwest of China were used for identifying and selecting the superior genotypes in the above two investigated characters under the same culturing condition in 2000 and 2001. There was very significant difference among the genotypes in the both characters. But the two characters were not certainly related. Some genotypes such as 18-599 and 18-599 were very good in them. For some ones such as zong 31, induction was higher than 18-599 and 18-599 in the efficiency, but it was only 1/3 to the later in regenerating number. In some genotypes such as S37, R08, R15, P138, A318, induction efficiency was just about 3% and scarcely any regenerating plants were got. On the whole, hybrids acted better than inbreeds in the both characters.(2) Two kind of inbreeds were selected as parents of the Griffing's method 1. 18-599 and 18-599 and the inbred line zong 31 are one kind because they are not only superior in the characters of maize cross breeding, such as CA, resistance to disease and the important agricultural characters, but also excellent in transformation characters as the induction and regeneration.

针对我国、特别是西南山地所需玉米转基因工程育种优良受体极为匮乏和反应玉米幼胚培养能力的2个主要性状，即玉米幼胚胚性愈伤组织诱导率和胚性愈伤组织绿苗发生数的遗传变异规律十分不清楚的实际情况，本研究从筛选玉米转基因工程所需要的优良受体入手，采用单因素遗传交配设计、双列杂交遗传交配设计、世代基因效应等传统数量性状分析方法，以及现代分子标记定位主效QTL分析方法，对玉米幼胚胚性愈伤组织诱导率和胚性愈伤组织绿苗发生数等2个性状进行了较为系统的分析研究，取得以下主要研究结果：(1)于2000年和2001年通过对我国、特别是西南地区近50份优良自交系和近30个杂交组合，在相同培养条件下，对幼胚培养胚性愈伤组织诱导率和胚性愈伤组织绿苗发生数等2个幼胚培养能力性状进行了筛选与鉴定，发现玉米不同基因型具有完全不同的幼胚培养胚性愈伤组织诱导率和胚性愈伤组织绿苗发生数，但幼胚培养胚性愈伤组织诱导率与胚性愈伤组织绿苗发生数并不具有必然的相关关系，有的基因型，如自交系18-599和18-599在胚性愈伤组织诱导率和愈伤组织绿苗发生数等2个性状都表现相当优异；有的基因型，如自交系综31，仅幼胚培养胚性愈伤组织诱导率性状表现高于19-599和18-599，但在胚性愈伤组织绿苗发生数这一性状则与它们有相当大的差距，仅为19-599和18-599的1/3左右；有的基因型，如S37、R08、R15、P138、A318等玉米自交系不仅幼胚培养胚性愈伤组织诱导率很低，平均仅在3％左右，而且胚性愈伤组织绿苗发生数表现也很差，基本上没有分化成苗。

Based on the traits and the molecular markers of Sorghum×Sudan grass, the near-isogenic lines (N1Ls) of plant height, leaf number and related molecular markers were determined from the recombinant inbred line F(subscript 6:7) family. The material could be used for the QTLs analysis.

以株高等表型性状和分子标记为基础，从高粱×苏丹草的F(下标 6：7)重组自交系群体中分离株高、叶片数2个性状及对这2个性状有效应的分子标记的近等基因系，为精确定位性状的QTL及分析QTL的作用提供有用的遗传材料。

In order to find screening rules suitable for lead compounds of pesticide,five descriptors:logarithm of partition coefficient of octanol/water,relative molar weight,number of hydrogen-bond donors,number of hydrogen-bond acceptors,polar surface areaand carcinogenic and mutagenic toxicities of 242 fungicides,512 herbicides and 399 insecticides were calculated and analyzed.

1996年，Lipinski通过对2000多种口服药物进行分析，提出了用于药物分子筛选的&5规则&，即化合物疏水常数(CLogP≤5或MLogP≤4.5)，相对分子质量不大于500，氢键给体数不大于5和氢键受体数不大于10[1]。2003年，Andrew等报道了从高通量筛选结果中获取先导化合物的规则：化合物疏水常数≤3，相对分子质量小于450[2]。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。