量子化学方法研究氯代苯酚类化合物对水生物毒性的构效关系

对20个氯代苯酚类化合物进行了CNDO/2量子化学计算,讨论了化合物电子结构与其对水生物翻车鱼(Bluegill)、花鳉鱼(Guppy)、和虾(Shrimp)半致死量之间的关系,分别获得了表示其构效关系的三个线性方程,它们的显著性均远高于α=0.01水平。结果表明:氯代苯酚化合物苯环上碳原子的兀电荷之和(∑Qπ_R)越大苯环上碳原子的净电荷之和(∑Q_R)越大,或LUMO轨道能(E_(LUMO))越低,均使化合物对Bluegill和Guppy水生物的毒性增大;而化合物苯环上羟基邻位的碳原子的兀电荷布居(P_3)越大,同时HOMO轨道能E_(HOMO)越高,则化合物对Shrimp毒性也越大。据此,可预测氯代苯酚类化合物对上述三种水生物的毒性。     

Geometric Derivation of the Delaunay Variables and Geometric Phases

We derive the classical Delaunay variables by finding a suitable symmetry action of the three torus T³ on the phase space of the Kepler problem, computing its associated momentum map and using the geometry associated with this structure. A central feature in this derivation is the identification of the mean anomaly as the angle variable for a symplectic S ¹ action on the union of the non-degenerate elliptic Kepler orbits. This approach is geometrically more natural than traditional ones such as directly solving Hamilton–Jacobi equations, or employing the Lagrange bracket. As an application of the new derivation, we give a singularity free treatment of the averaged J ₂-dynamics (the effect of the bulge of the Earth) in the Cartesian coordinates by making use of the fact that the averaged J ₂-Hamiltonian is a collective Hamiltonian of the T³ momentum map. We also use this geometric structure to identify the drifts in satellite orbits due to the J ₂ effect as geometric phases.     

APPLICATION OF GEOGRAPHICAL PARAMETER DATABASE TO ESTABLISHMENT OF UNIT POPULATION DATABASE

Now GIS is turning into a good tool in handling geographical, economical, and population data, so we can obtain more and more information from these data. On the other hand, in some cases, for a calamity, such as hurricane, earthquake, flood, drought etc., or a decision-making, such as setting up a broadcasting transmitter, building a chemical plant etc., we have to evaluate the total population in the region influenced by a calamity or a project. In this paper, a method is put forward to evaluate the population in such special region. Through exploring the correlation of geographical parameters and the distribution of people in the same region by means of quantitative analysis and qualitative analysis, unit population database (1km× 1km) is established. In this way, estimating the number of people in a special region is capable by adding up the population in every grid involved in this region boundary. The geographical parameters are obtained from topographic database and DEM database on the scale of     

The comparison between allozyme and RAPD makers for the population genetic structure analysis of scallop Chlamys farreri

1INTRODUCTION Since the first use in human genetic research in1966,allozyme has become the most popular genetic marker for population genetics studies for almost all groups of animals and plants(Lewontin and Hubby,1966;Murphy et al.,1996).In the past seve…     

Triassic Nb-enriched basalts, magnesian andesites, and adakites of the Qiangtang terrane (Central Tibet): evidence for metasomatism by slab-derived melts in the mantle wedge

New chronological, geochemical, and isotopic data are reported for Triassic (219–236 Ma) adakite-magnesian andesite-Nb-enriched basaltic rock associations from the Tuotuohe area, central Qiangtang terrane. The adakites and magnesian andesites are characterized by high Sr/Y (25–45), La/Yb (14–42) and Na₂O/K₂O (12–49) ratios, high Al₂O₃ (15.34–18.28 wt%) and moderate to high Sr concentrations (220–498 ppm) and ε_ND (t) (+0.86 to +1.21) values. Low enrichments of Th, Rb relative to Nb, and subequal normalized Nb and La contents, and enrichments of light rare earth elements combine to distinguish a group of Nb-enriched basaltic rocks (NEBs). They have positive ε_ND (t) (+2.57 to +5.16) values. Positive correlations between Th, La and Nb and an absence of negative Nb anomalies on mantle normalized plots indicate the NEBs are products of a mantle source metasomatized by a slab melt rather than by hydrous fluids. A continuous compositional variation between adakites and magnesian andesites confirms slab melt interaction with mantle peridotite. The spatial association of the NEBs with adakites and magnesian andesites define an “adakitic metasomatic volcanic series” recognized in many demonstrably subduction-related environments (e.g., Mindanao arc, Philippines; Kamchatka arc, Russia; and southern Baja California arc, Mexico). The age of the Touhuohe suite, and its correlation with Triassic NEB to the north indicates that volcanism derived from subduction-modified mantle was abundant prior to 220 Ma in the central Qiangtang terrane.     

不同风区海面雷达后向散射的极化特征对比分析

通过对海南省南保港附近海面ＳＩＲ－Ｃ／Ｘ－ＳＡＲ全极化数据的定量研究,对比研究了该海面不同风区海面的全极化信息特征,定量分析了海面散射的极化信息和极化状态的空间结构情况：用散射矩阵的迹解释了不同海区的散射强度对应关系：对比海面散射极化响应可以确定不同成长类型的粗糙海面类型;用极化响应图的对称特点界定“长尺度”和“短尺度”海面;建立全极化海面散射模型。讨论了海面电磁散射的贡献与雷达系统参数之间的定量     

胶州湾东北部岸滩改造方案的讨论

本文根据胶州湾东北部岸滩目前污染严重、脏乱不堪的现状及城市总体规划的要求.提出了胶州湾东北部岸滩的改造意见.着重从海洋动力、生态、水量平衡的角度论证了改造工程的必要性和可行性。     

Relationship between biogeochemical features of biogenic elements and flocculation in the Changjiang Estuary

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大连湾牡蛎的染色体数目

以大连湾牡蛎的早期胚胎为材料。经染色体数目分析,首次提出大连湾牡蛎的染色体数目为2n=20。为牡蛎遗传育种工作提供依据。     

The relationship between tidal current field and sediment transport in the Huanghai Sea and the Bohai Sea

-Based on a two-dimensional numerical M2 tidal model of the Huanghai and Bohai Seas, sediment transport of particles with different sizes in the computational area is given. It is concluded that tidal currents play an important role in sediment transport and deposition in the Huanghai and Bohai Seas.